#DEFINITION	Reference Metabolome for Musa balbisiana
#IDENTTFIER	RefMeta-Musa balbisiana.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Musa balbisiana
#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 Musa balbisiana 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	997.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45175	0.7
71.01269	3.0
72.99192	0.3
73.02839	0.7
78.48944	0.3
80.04972	0.9
81.95866	0.3
83.01285	0.4
85.02839	1.8
89.02356	1.1
92.04969	0.3
94.06522	2.5
96.95967	0.7
98.54702	0.3
99.00787	0.5
101.02352	2.1
104.04971	0.4
106.06555	1.4
107.03680	8.1
108.04504	0.4
113.02348	1.5
120.04483	1.1
120.08124	0.9
122.06042	39.4
123.06379	1.0
124.07624	0.4
132.04489	0.9
134.06058	7.1
136.07629	1.2
139.02681	4.9
148.03940	0.3
150.05577	1.6
152.07115	58.5
153.07468	2.1
158.02489	0.4
160.01657	0.5
160.03949	0.5
161.04654	0.5
164.07158	0.3
166.05089	0.8
171.10214	0.7
173.04572	0.7
174.09285	0.3
175.03931	0.4
186.05531	0.4
190.05081	0.9
191.05589	0.7
195.09436	0.3
197.07275	0.3
200.09488	0.3
201.11284	1.1
209.07245	0.6
209.11861	2.5
210.08002	0.7
211.08763	1.9
213.10301	1.3
215.11858	1.6
221.10904	0.4
223.08707	2.4
223.13362	1.0
224.09433	1.6
225.10234	2.3
227.11935	0.7
235.08688	0.8
236.05951	0.9
236.09607	0.6
237.06717	3.2
237.10368	1.2
238.07207	0.4
238.11041	0.4
239.11920	1.5
241.13580	0.3
243.15018	0.4
245.12907	0.4
248.09764	0.4
249.06693	0.9
249.10323	0.8
250.07475	2.0
251.08311	5.2
251.11990	0.8
251.16534	0.5
252.08815	0.7
253.09702	1.1
261.10367	0.6
263.08276	1.9
263.11957	0.6
264.09064	2.2
265.09851	3.7
266.10532	0.6
267.08615	0.3
267.11472	0.9
269.12973	0.9
271.11130	0.5
276.08899	0.4
277.09787	1.5
278.10751	0.5
279.11319	1.6
280.12103	0.6
281.12811	0.5
283.10992	2.0
285.12518	0.9
287.44257	0.3
291.07831	0.9
291.11401	0.8
291.19736	0.5
292.08191	0.4
293.09613	0.7
295.10904	0.8
297.12796	0.5
299.14258	0.4
305.09424	1.1
306.09958	0.5
306.16315	0.3
307.10947	2.0
309.20779	1.1
315.10214	0.4
318.16345	0.4
319.10922	1.0
323.10416	0.5
324.11249	0.3
325.11993	0.8
328.10873	0.9
329.11603	0.4
330.12579	1.3
330.16116	0.6
331.13550	0.6
332.13940	0.7
337.12018	0.6
339.13550	4.2
340.14124	0.5
342.12598	1.1
342.16293	0.6
343.13223	0.4
344.14157	2.0
345.14886	0.8
346.15692	2.9
351.13522	0.9
355.13052	0.8
356.10239	0.7
356.14188	0.6
357.11243	0.6
358.11935	1.4
358.15775	2.1
359.12231	0.4
359.16391	1.2
360.17358	2.0
368.14026	0.5
370.11984	1.3
371.12674	1.1
372.13489	1.9
372.17212	0.5
373.14151	1.3
374.15012	1.3
382.12140	0.4
383.16812	0.5
384.13034	0.5
384.17529	1.6
385.14041	1.5
386.15088	4.1
386.19687	0.4
387.15720	1.1
388.16791	0.5
389.17749	0.4
397.14407	0.5
398.15112	1.3
399.15860	0.6
400.16486	1.3
402.14465	1.7
403.15390	0.5
404.16177	0.6
410.15146	0.3
412.12698	1.0
412.16806	1.1
414.18234	0.4
416.16122	0.7
417.16934	0.7
426.14426	0.4
428.16177	3.3
430.17755	1.1
434.17117	0.5
440.16068	2.0
444.76279	0.3
448.19009	1.7
456.15961	0.6
459.17834	1.5
460.18881	6.9
461.18982	0.8
465.19485	0.4
471.18094	0.4
472.18845	1.9
483.24521	0.4
502.19998	1.3
503.20715	0.8
504.21497	4.3
505.22284	0.5
510.22726	0.6
511.23517	1.1
523.20398	1.2
525.25116	0.6
538.22351	0.7
549.25317	0.7
551.23303	2.2
552.23584	1.0
565.24658	0.7
570.24402	0.8
571.25702	1.9
571.62256	0.3
593.24292	4.7
594.25128	0.5
597.27490	0.6
625.26794	100.0
626.27136	15.5
766.08844	0.4
802.39374	0.6
874.41510	0.9
875.41534	0.8
876.42041	0.6
923.45966	0.6
924.45129	0.4
965.45935	2.3
966.46228	0.9
997.48370	38.8
998.48840	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	997.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05778	0.1
71.01268	0.8
80.14454	0.1
83.01299	0.1
85.02863	0.2
87.00784	0.2
89.02354	0.6
97.02838	0.2
99.37275	0.1
101.02356	0.6
112.34985	0.1
113.02364	0.3
119.03376	0.2
125.02366	0.2
143.03458	0.2
161.04471	0.1
179.05589	0.2
182.06624	0.1
197.11806	0.3
201.07123	0.3
217.06628	0.1
219.08162	0.2
221.06256	0.1
228.05910	0.3
229.06599	0.9
232.05373	0.3
233.06140	0.7
235.08189	0.4
247.07672	4.7
248.07983	0.3
257.06091	0.2
260.04663	0.2
261.05603	1.9
261.08124	0.1
262.05972	0.2
265.09125	0.1
277.21826	1.7
278.22168	0.3
285.05634	18.5
286.05988	1.5
287.08261	0.1
289.18176	1.0
291.19708	0.3
293.03836	0.9
303.02231	0.3
303.06628	0.2
305.08374	0.1
309.20874	1.0
320.02786	0.2
321.03287	100.0
322.03638	7.6
379.12506	0.1
397.13593	3.7
398.13565	0.3
415.14606	1.3
473.26773	0.1
675.36072	0.1
786.78821	0.1
877.46393	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	997.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01281	4.0
72.41951	0.8
80.04955	0.8
85.02818	2.0
88.98682	0.9
89.02334	1.6
94.06500	3.0
96.95899	5.0
100.47347	0.8
101.02317	3.0
106.06516	1.5
107.03685	6.6
113.02319	2.0
119.04868	0.8
120.04443	1.7
120.08058	1.0
122.06039	39.4
123.06317	1.2
132.02019	1.3
134.03624	2.9
134.06039	8.6
135.04451	1.3
136.07547	1.0
139.02686	4.2
147.04393	1.1
150.05498	1.2
152.07109	59.3
153.07367	2.0
160.01630	5.2
160.03940	1.0
162.05434	0.8
166.04994	1.0
171.10248	0.9
173.04454	1.0
175.03946	4.4
178.02748	1.0
179.05730	0.9
190.04947	1.2
191.05516	1.2
193.04944	1.6
209.07114	1.0
209.11772	1.0
211.08675	2.8
213.10246	1.5
215.11844	1.2
217.06528	4.1
223.08755	1.8
224.09505	2.0
225.10310	2.5
236.05937	1.2
237.06683	4.5
237.10349	1.7
239.11954	1.0
241.19005	0.9
245.06085	2.7
249.10323	1.3
250.07458	1.5
251.08263	4.9
252.08836	0.9
253.09642	1.2
263.11761	0.8
264.09033	1.8
265.09708	4.3
266.10223	0.9
277.09784	1.1
279.11478	2.3
283.10846	2.8
289.05103	9.6
290.05237	1.3
291.07782	1.2
293.09198	1.2
307.10889	3.3
309.20670	1.9
330.12585	1.1
332.14047	1.1
339.13467	2.8
342.16144	1.4
343.13220	1.1
344.14066	2.9
345.14594	0.9
346.15659	3.1
352.67529	0.8
354.26819	0.8
355.13113	1.1
358.11734	1.3
358.15714	1.4
359.16458	1.1
360.17172	1.8
370.11935	1.9
371.12759	1.7
372.13498	1.8
372.17456	1.2
373.14203	1.6
374.14847	1.4
384.17255	2.1
385.14368	1.3
386.15063	4.6
388.16705	1.0
396.17566	0.9
398.15091	1.3
400.16531	1.1
402.14185	1.7
412.12601	1.2
412.17340	1.1
417.17044	1.4
418.17780	1.4
428.16144	3.0
430.17795	1.2
440.16214	2.4
448.18842	1.5
459.18228	1.1
460.18808	5.6
471.18143	0.9
472.18716	1.2
502.19861	1.5
503.20285	0.9
504.21408	4.5
523.20184	1.6
525.25684	1.0
549.24677	0.9
551.22766	2.5
570.24951	0.9
571.25720	2.6
593.24121	4.7
594.24768	1.1
597.27875	0.9
611.25372	1.1
625.26782	100.0
626.27142	18.3
626.35596	0.4
626.37457	0.8
643.27875	1.2
675.19794	5.7
676.19659	1.3
762.70105	0.8
835.93890	0.8
874.41522	0.9
924.44696	0.9
965.26160	1.7
965.45343	2.7
997.48407	49.1
998.48834	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	987.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.9
71.01273	9.4
72.99174	0.7
73.02835	1.7
81.03347	0.5
83.01267	1.3
83.04911	0.4
85.02840	2.3
87.00768	2.0
89.02340	8.0
93.03316	0.3
95.01267	0.5
96.95895	0.2
97.02847	1.8
97.06496	0.2
99.00768	0.5
99.04376	0.3
99.08022	1.0
101.01715	0.5
101.02350	7.7
111.00806	0.2
111.04423	0.3
113.01645	0.3
113.02370	3.7
113.09608	1.1
119.03422	2.2
121.02888	0.3
121.10089	0.5
123.04414	0.2
125.02373	3.3
125.09610	1.1
125.50206	0.2
127.07533	0.3
127.11204	1.8
129.09116	2.1
131.03421	0.4
133.04884	0.3
137.09631	0.4
139.03905	0.3
139.11218	3.8
143.03447	1.3
149.04414	0.3
151.11186	0.7
153.09067	0.3
155.10689	1.0
158.39630	0.2
161.04529	1.8
165.09146	0.4
167.10698	0.7
169.12294	0.9
171.10226	19.9
172.10530	0.8
173.04413	0.3
179.05582	1.6
181.12292	2.1
183.10245	1.5
183.13820	0.9
185.11780	3.8
193.12288	0.6
197.11823	3.5
199.13351	1.5
201.11304	4.0
211.13396	6.6
212.13689	0.4
221.06728	0.4
227.13078	0.3
231.21150	0.3
235.08223	3.9
245.06700	0.4
253.09363	0.9
265.21713	0.7
275.20218	1.7
277.21796	22.8
278.21915	1.2
287.07684	1.1
293.21289	7.4
294.21582	0.7
305.08871	1.6
311.22342	100.0
312.19052	0.3
312.22702	6.7
323.09985	0.4
379.12756	0.4
396.45728	0.3
397.13602	38.9
398.13889	2.1
415.14667	12.2
415.18973	0.3
416.14871	0.8
440.71902	0.3
448.37195	0.3
538.49182	0.3
675.36292	2.6
819.29883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5658
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70691	0.5
69.03328	1.3
70.29584	0.5
71.01270	22.3
71.59852	1.2
72.99184	1.4
73.02836	4.4
75.00762	0.7
83.01278	2.3
85.02845	4.5
85.88185	0.5
87.00781	4.3
89.02336	19.4
95.01285	1.8
96.71880	0.5
96.95920	1.2
97.02856	3.6
99.00783	1.5
101.02348	18.5
113.02357	10.1
116.92722	0.6
119.03406	5.1
121.02851	0.9
125.02356	8.3
131.03433	0.9
132.33995	0.5
139.25543	0.5
141.01909	0.7
143.03415	3.5
149.04533	0.7
150.10469	0.7
161.04483	4.6
165.12804	7.8
166.13231	0.8
179.05568	4.7
221.06651	0.9
235.08249	8.8
236.08542	0.6
245.06694	0.7
247.20764	4.4
248.10823	0.5
249.32524	0.5
253.09247	1.3
273.18661	2.0
277.21783	53.2
278.22095	5.4
287.07825	2.5
288.07889	0.6
291.19720	30.4
292.20239	3.1
305.08914	4.6
323.09656	0.7
397.13596	100.0
398.13907	8.2
415.14673	31.3
416.15045	1.8
457.36166	0.6
556.30914	0.6
675.36188	5.3
676.36304	0.8
964.60779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5971
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99709	0.2
69.03341	0.9
70.61001	0.6
71.01270	16.4
72.29652	0.2
72.99197	1.2
73.02840	2.9
75.00758	0.3
81.03352	0.5
83.01268	2.0
85.02837	3.2
85.99984	0.3
87.00774	3.8
89.02336	14.7
91.03911	0.3
95.01279	1.5
95.04903	0.2
97.02854	3.0
99.00775	1.1
99.04425	0.3
101.02346	13.1
102.02666	0.2
103.03900	0.2
109.02857	0.2
111.00795	0.4
111.04411	0.5
111.08049	0.4
113.02351	6.8
113.09648	0.4
115.03900	0.3
119.03420	3.4
121.02882	0.4
123.00762	0.2
125.02368	6.1
127.03922	0.3
131.03441	0.6
133.04994	0.7
139.03954	0.6
141.01846	0.4
143.03439	2.2
149.04474	0.4
161.04500	3.1
167.03445	0.4
167.10727	0.5
169.05002	0.2
171.10136	0.2
177.12845	0.2
179.05577	2.7
179.10750	0.3
179.14313	0.9
185.04536	0.4
185.08986	0.2
195.13882	8.2
196.14473	0.7
199.06036	0.3
203.05696	0.2
205.12320	0.9
205.15970	0.4
211.13419	0.6
217.07231	0.2
219.05081	0.3
221.06694	1.2
221.44136	0.1
223.13393	6.6
224.13756	0.4
228.13646	0.7
231.21248	0.4
235.08273	7.0
236.08615	0.3
245.06772	0.5
249.18774	0.2
249.22237	0.3
253.09383	1.3
256.13162	1.3
261.22247	0.2
263.07770	0.7
265.21857	0.6
275.20190	4.7
276.20547	0.4
277.09360	0.4
279.23346	46.3
280.23718	3.0
287.07816	2.2
293.21289	100.0
294.21619	7.0
305.08820	3.4
323.09882	0.7
379.12445	0.5
397.13583	75.7
398.13913	4.8
415.14648	23.2
416.15118	1.4
677.37555	5.3
678.38123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03350	0.7
70.12402	0.7
71.01265	6.9
72.99181	0.7
73.02835	1.0
75.00739	0.3
78.95789	0.2
81.03335	0.3
83.01278	0.8
83.04908	0.2
85.02832	1.5
87.00761	1.6
89.02335	6.3
94.03288	0.1
95.01270	0.5
97.02858	0.9
99.00755	0.4
101.02340	5.1
102.02629	0.2
109.02861	0.1
111.08105	0.2
113.02350	2.7
113.09621	0.2
119.03406	1.6
121.02802	0.1
125.02357	1.8
141.01811	0.2
143.03456	0.7
149.04404	0.3
152.99493	0.2
161.04480	1.2
167.03534	0.1
167.10738	0.3
170.84346	0.1
171.10155	0.3
177.12854	0.3
179.05539	1.6
179.10664	0.1
179.14354	0.6
180.14687	0.2
181.12303	0.2
195.13876	7.1
196.14316	0.4
198.42294	0.1
199.05981	0.1
205.12212	0.7
205.15897	0.5
209.11877	0.2
211.13350	0.6
217.07254	0.2
221.06622	0.7
223.13396	4.8
224.13763	0.3
225.14865	0.4
228.13673	0.8
231.21127	0.4
235.08215	2.0
239.12886	0.2
253.09332	0.5
255.23340	1.2
256.13220	1.2
256.23602	0.2
263.07816	0.2
265.21783	0.6
275.20193	4.8
276.20569	0.2
277.21707	0.3
287.07779	0.6
291.19501	0.1
293.21274	100.0
294.21609	7.6
305.08746	0.7
309.20786	0.5
317.21356	0.3
323.09857	0.6
335.23059	0.2
341.10791	0.1
379.12595	0.9
397.13559	16.8
398.13840	1.1
415.14636	10.7
416.14990	0.7
481.25797	0.2
483.26959	0.8
484.27649	0.2
569.42407	1.8
654.27936	0.2
668.44360	0.2
673.34485	1.2
691.35596	3.0
692.35706	0.7
930.48529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.0
71.01270	25.4
71.56174	1.5
71.56556	1.1
72.99187	2.4
73.02834	2.1
74.04880	0.9
74.43655	1.0
78.40166	1.2
80.04949	1.1
83.01292	1.9
85.02844	6.3
87.00778	2.9
88.44498	1.0
89.02345	15.2
93.03346	2.5
94.06549	1.1
95.01292	2.7
96.95927	6.2
101.02374	11.5
106.06525	4.9
113.02348	9.2
119.03417	5.3
120.04469	1.1
120.08125	2.1
122.06037	10.9
122.41272	1.0
131.03410	1.5
132.04462	2.4
134.06050	31.0
135.04459	1.5
135.06351	1.6
136.07748	1.3
148.07635	1.6
150.05544	1.3
152.07135	9.6
160.04007	2.0
173.04510	4.4
179.03513	1.4
186.05615	1.3
188.06989	0.9
190.05072	2.9
191.05586	3.4
199.67020	1.2
211.08762	2.2
213.10246	1.6
215.11882	3.4
219.08214	3.2
223.08833	1.8
224.09517	2.1
225.10381	2.8
227.11775	1.2
236.60246	1.3
237.06673	2.4
237.10246	2.7
239.11848	2.9
241.13475	2.4
247.07585	2.4
249.10316	1.3
250.07471	1.8
251.08226	6.5
251.11946	2.0
252.08849	1.3
253.09662	1.5
263.07712	2.2
263.12012	1.6
264.09109	3.8
265.09738	7.0
266.10324	1.7
269.12988	2.2
277.09891	3.1
278.10724	1.3
279.11432	7.6
280.12012	1.8
283.10928	2.2
285.12375	1.5
287.14209	1.4
291.06949	3.5
291.11307	1.8
292.08798	1.7
292.12033	1.8
293.09125	1.5
295.10883	1.2
305.09381	1.7
307.10950	3.5
314.12674	2.4
323.10577	1.6
337.11847	3.2
342.12601	1.3
342.16290	3.3
344.13971	1.6
346.15878	1.5
356.14194	1.8
358.15607	2.5
358.19571	1.1
359.16211	1.8
360.17087	3.2
370.15689	2.0
372.13431	2.0
372.17529	1.4
373.14398	2.3
374.15155	2.4
384.17230	3.7
386.15146	4.1
387.15775	1.1
398.14761	1.6
399.15677	1.4
400.16766	1.8
402.18484	2.1
413.16876	1.3
414.18204	1.2
428.16293	3.5
440.16141	2.3
444.19400	1.4
459.18027	1.3
460.18817	3.9
461.19693	1.8
472.19031	1.9
486.20380	1.4
521.11047	3.0
593.23889	1.2
606.24890	1.8
607.25342	2.0
625.26709	1.9
643.27570	1.3
650.23706	1.7
651.24506	1.9
682.26648	2.0
701.28668	1.5
713.28534	1.4
729.31342	3.4
737.30304	1.1
755.29626	6.6
773.30511	33.2
774.30957	7.5
787.32172	60.2
788.32404	14.1
797.30713	2.0
805.33203	100.0
806.33630	26.7
815.31641	2.5
829.33264	4.8
847.18372	1.1
847.34265	28.8
848.34741	7.6
875.34277	2.7
877.36115	2.8
907.36249	3.1
935.35620	2.3
967.38116	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	967.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.5
69.26867	5.0
69.27299	1.8
71.01270	20.7
72.99197	2.0
73.02843	2.3
75.00772	0.7
79.51968	0.6
81.03371	0.7
83.01279	2.6
83.04898	0.7
85.02844	5.7
87.00772	4.7
88.98686	0.9
89.02339	18.0
91.23152	0.7
93.03353	0.8
95.01290	2.0
95.04942	0.8
95.62277	0.6
96.95915	2.6
97.02859	4.3
98.20573	1.2
99.00774	1.3
101.02348	16.4
105.60282	0.6
113.02361	8.8
113.06061	0.6
119.03408	5.9
121.02892	0.7
125.02370	10.0
131.03459	1.5
133.04968	0.8
139.03908	0.8
143.03442	3.3
161.04494	3.2
165.12791	10.8
173.04485	1.3
174.42255	0.6
179.05608	4.0
221.06592	1.8
235.08247	8.7
236.08574	0.7
247.20734	6.2
253.09372	2.2
263.07834	0.8
269.09082	0.6
273.18631	3.1
277.09326	0.8
277.21783	44.8
278.22089	2.4
287.07877	3.1
291.19730	37.4
292.20078	2.8
305.08804	4.8
397.13580	100.0
398.14011	5.3
415.14679	30.7
416.15247	1.5
449.18671	1.7
450.19193	1.2
640.46069	0.7
675.36023	5.1
676.35547	0.9
879.33850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.399
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01791	0.4
69.03344	4.0
71.01265	0.8
83.04890	0.2
89.02343	0.3
90.90066	0.3
93.03363	0.8
96.95890	0.6
98.20670	0.5
107.04938	0.4
108.02092	1.0
109.02872	1.2
116.92789	0.5
119.01314	1.2
119.04945	1.6
121.02883	5.3
122.06039	0.3
123.04451	2.0
131.04964	0.4
133.02817	0.3
133.06453	0.3
134.03679	1.7
134.06021	0.3
135.00813	0.7
135.04457	4.8
136.01607	2.4
137.02353	3.7
137.06039	0.5
138.03145	0.5
145.02892	0.4
147.00829	3.0
147.04459	13.6
148.01622	3.3
148.04774	0.5
149.02386	9.3
149.06004	1.0
150.03174	1.4
151.03967	3.4
152.07103	0.9
158.03874	0.3
159.04443	0.7
160.05220	0.6
161.06026	1.2
162.03183	1.7
162.06773	0.3
163.00284	0.7
163.03970	5.1
164.01114	3.0
164.04739	22.3
165.01892	12.2
165.05547	2.8
166.02544	0.7
173.02338	0.4
173.05984	0.5
174.03151	2.2
175.03967	100.0
176.04724	17.7
177.01866	1.1
177.05536	8.2
177.09071	0.6
178.02570	0.8
178.06342	0.4
179.03490	24.2
179.07095	44.4
180.04225	4.8
180.07454	1.8
181.04820	0.3
185.44801	0.3
188.04884	0.4
189.05540	0.7
190.06328	82.9
191.03500	5.2
191.07072	18.5
192.02747	0.3
192.04198	1.6
192.07423	0.6
193.05077	1.6
193.06642	0.3
193.08698	0.5
194.05843	5.2
195.06599	0.9
205.08693	75.6
206.05933	2.6
206.09000	3.7
207.06642	1.9
207.10243	1.8
208.03668	0.3
208.07373	2.5
209.08159	0.7
221.08173	5.5
222.08578	0.5
223.09778	6.7
240.74547	0.2
279.06656	0.6
297.07645	0.3
311.09085	0.3
328.09714	0.7
329.10086	0.4
339.08832	0.4
343.11911	2.8
354.11230	1.1
367.15643	0.5
369.13531	10.8
370.13858	0.9
371.11377	4.8
372.12170	1.2
383.15057	0.6
385.17020	1.3
386.13736	4.8
387.14337	1.8
388.14914	0.3
389.16068	0.3
401.16162	19.7
402.16724	2.6
403.17725	15.2
404.17908	1.3
427.17679	0.6
535.19702	0.5
563.22620	1.6
566.21741	1.3
581.24042	50.8
582.24371	7.4
607.25873	1.3
625.26605	3.0
626.27228	0.9
787.33466	2.1
788.34070	0.4
805.34589	83.4
806.34906	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	964.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52447	23.2
71.01273	37.9
72.01601	5.1
72.99213	7.4
73.02840	10.6
83.01303	4.9
85.02856	20.2
87.00780	7.7
89.02335	24.2
93.03373	5.9
96.95920	3.9
98.20540	3.3
101.02361	20.5
102.02663	3.0
111.00862	2.7
113.02339	13.7
114.02692	3.0
119.03427	6.6
122.06065	3.4
131.03391	3.3
143.03442	4.1
161.02460	2.9
161.04564	3.5
173.04527	10.8
191.05589	9.4
283.10727	2.7
454.52829	2.8
758.43573	4.1
848.66437	3.0
902.48914	9.8
903.48901	30.9
904.49182	100.0
905.49164	8.2
964.46838	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	967.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01276	9.8
71.38242	0.5
72.99199	0.7
73.02831	1.7
80.04973	1.4
83.01283	1.4
85.02837	2.5
87.00775	1.2
89.02344	7.9
92.04944	0.7
94.06528	3.7
95.01329	1.4
96.81585	0.3
96.95910	0.3
99.00832	0.5
101.02346	4.8
104.04974	0.9
106.06535	2.1
107.03680	9.5
108.04521	0.3
113.02370	3.7
119.03428	2.0
119.32946	0.4
120.04421	1.5
120.08110	2.3
121.05251	0.9
122.06042	53.2
123.06396	1.8
124.07621	0.7
130.06557	0.3
131.03421	0.7
132.04489	1.9
134.06052	10.8
135.06390	0.3
136.07628	1.9
138.05449	0.4
139.02710	3.8
143.03484	0.6
146.06059	0.6
148.03998	0.9
148.07594	0.6
150.05519	2.2
152.07117	78.1
153.04253	0.4
153.07495	2.8
158.02386	0.6
158.06024	0.5
160.03978	1.8
161.04659	1.0
161.07072	0.4
162.05569	0.9
164.07155	0.4
166.05032	0.5
172.03958	0.3
173.04640	0.8
174.05553	1.3
174.09219	0.4
176.03453	0.4
179.05569	2.0
186.05669	0.4
190.05055	3.3
191.05664	0.4
193.04926	0.3
199.05049	0.3
200.03455	0.4
200.09595	0.6
209.07167	0.4
210.05614	0.3
210.07967	1.3
211.08800	2.2
213.10268	1.4
215.11900	5.0
215.13821	0.4
216.12238	0.3
221.10808	0.7
223.08742	2.3
224.09570	2.3
225.10376	2.9
226.10942	0.8
227.11867	1.4
235.08754	0.7
235.12474	0.3
236.06071	1.0
236.09492	0.5
237.06772	2.5
237.10274	2.4
237.13968	0.4
238.07304	0.6
238.11015	0.8
239.08342	0.5
239.11967	2.0
241.13531	2.8
243.15028	0.7
245.12985	1.3
247.08502	0.3
249.06810	1.0
249.10385	1.2
250.07475	1.8
251.08284	5.1
251.11920	1.3
252.09053	1.1
253.09938	0.7
253.13539	0.6
261.10208	0.4
262.07541	0.4
263.08304	2.2
263.11874	0.8
264.09055	2.5
265.09915	4.3
266.10474	0.5
267.11429	1.6
269.12994	2.1
271.10953	0.4
276.09177	0.5
277.07263	0.3
277.09851	2.1
278.10620	0.9
279.11438	3.7
280.12222	0.7
281.12985	0.9
283.11011	1.5
285.12555	1.0
287.14041	3.8
288.14444	0.4
291.08057	0.6
291.11481	1.0
292.08527	0.8
292.12064	0.7
293.09320	1.0
293.12820	0.6
295.10950	2.5
295.14172	0.5
296.11588	0.6
297.12466	0.5
301.13443	0.4
305.09494	1.4
306.10175	0.5
306.16245	0.5
307.10947	2.9
308.11377	0.5
313.12103	0.9
318.16257	1.2
319.10736	0.5
323.10471	2.2
324.11157	0.6
325.11942	2.3
326.12845	0.9
327.13727	0.4
328.11041	0.7
329.11700	0.7
329.15283	2.5
330.12695	1.5
330.16000	0.5
331.13330	1.0
332.14124	0.8
337.12054	0.8
338.12808	0.3
339.13559	2.1
340.14117	0.4
341.11008	2.3
342.12302	1.4
342.16205	1.9
343.13385	0.8
344.14175	2.5
345.14761	1.1
346.15668	3.4
351.13522	0.6
353.15247	0.3
355.13126	3.4
356.10275	0.6
356.14053	0.9
356.17880	0.5
357.14862	0.6
358.12140	1.7
358.15594	1.9
358.19263	0.5
359.12390	0.6
359.16406	1.9
359.77774	0.3
360.12860	0.4
360.17212	4.7
361.17722	0.8
364.10870	0.5
368.14096	0.6
369.10980	0.5
369.14999	0.5
370.11777	1.4
370.15982	0.6
371.12796	1.1
372.13449	3.2
372.17422	0.9
373.14063	1.7
374.14865	1.5
374.19205	0.4
383.12485	0.5
384.13477	1.0
384.17737	2.2
385.14560	1.2
386.15125	5.9
386.19629	0.5
387.15573	1.2
388.16602	1.1
389.17429	1.3
390.18625	0.5
396.17508	0.3
398.14941	1.4
399.16068	0.9
400.16528	2.3
400.20468	0.3
401.17450	1.0
402.13831	0.6
402.18600	3.4
404.16034	0.6
406.17560	0.6
412.12738	0.9
412.17084	1.0
414.18454	1.4
416.16049	1.0
417.16891	0.9
418.17834	0.5
428.16183	3.9
429.16669	0.7
430.17758	0.7
431.18265	0.4
434.17233	0.4
440.16434	2.0
441.16776	0.4
442.17731	0.4
444.19354	0.7
446.16864	0.7
448.18826	1.9
449.19324	0.5
456.15598	0.4
458.17310	0.5
459.18045	2.4
460.18906	6.8
460.25034	0.5
461.19391	0.8
465.18790	0.4
470.16928	0.4
471.18027	0.8
471.24292	0.5
472.18796	2.0
483.24197	0.5
488.18350	0.8
489.18826	0.8
490.19958	1.1
494.23294	0.4
497.21799	0.3
502.20065	1.0
503.20523	1.0
504.21405	2.2
510.23386	0.3
511.23712	1.8
520.21167	0.4
522.22772	0.4
523.20306	1.0
525.24976	1.5
538.22369	0.6
539.23322	1.0
540.49976	0.3
549.25348	0.9
551.23114	2.9
552.23871	1.6
565.24945	1.0
567.25934	1.6
569.24316	0.5
570.24854	1.2
571.25745	4.6
572.26239	0.7
583.26129	0.5
593.24231	26.3
594.24603	4.0
597.27637	0.9
611.25146	8.4
612.25873	1.5
625.26843	100.0
626.27106	16.6
643.27863	16.5
644.28113	2.1
653.26794	0.5
667.27704	0.5
683.26569	0.3
685.28986	7.3
686.29187	1.0
693.88684	0.3
713.28705	0.5
715.29620	1.4
745.31012	4.8
746.31158	0.8
771.27777	0.5
773.30151	1.2
785.96185	0.3
787.31921	0.6
788.72919	0.4
805.33728	0.4
812.29810	0.7
813.29822	0.6
844.31866	0.6
845.34625	0.3
859.33295	0.5
867.37012	0.6
893.35596	2.4
894.35474	2.7
895.35492	0.7
922.21509	0.4
935.16449	0.4
935.35828	16.2
936.35944	4.1
967.38544	23.4
968.38580	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	963.6888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.1
71.01263	0.6
71.58411	0.2
80.04945	0.2
81.03351	5.7
83.01234	0.2
83.04916	13.7
84.05251	0.4
85.02835	0.3
89.02333	0.2
93.03358	0.4
96.95921	0.3
100.07542	0.2
101.02333	0.4
107.06061	0.3
108.04453	0.3
112.12251	0.1
113.02313	0.4
114.19703	0.1
125.02362	0.1
125.07117	0.8
126.05514	0.3
135.04456	0.2
143.08243	0.3
145.02858	0.2
157.13333	0.2
173.04524	0.6
179.05638	0.1
181.76375	0.1
184.59416	0.2
191.05565	0.6
207.15085	1.2
224.17680	2.1
225.16098	9.1
242.18729	0.6
290.22452	0.2
291.20819	0.2
309.21979	0.7
324.26541	0.3
333.22958	0.6
341.29291	0.8
344.15143	0.1
351.24329	0.2
367.27209	0.8
385.28021	0.3
433.32089	1.2
449.69086	0.2
450.34445	1.0
451.33002	8.4
452.33426	1.0
467.14767	0.2
484.17267	0.1
500.31137	0.1
535.38806	0.2
550.43567	0.7
567.46240	0.6
593.44128	0.4
649.99347	0.1
659.48706	0.3
676.50385	0.2
677.49744	1.8
678.49475	0.4
776.60474	0.7
785.56927	0.3
885.65643	0.6
903.66724	100.0
904.67041	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	963.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72937	0.3
69.95987	1.4
71.01272	6.3
73.02839	1.7
75.00761	0.3
80.04951	0.9
82.95122	0.2
83.01270	1.1
85.02843	3.3
85.99976	0.6
87.00768	1.4
87.04404	0.3
89.02357	0.5
92.49117	0.3
93.03384	0.3
94.06528	2.6
95.01292	0.5
96.81487	0.3
96.95936	0.3
99.00793	0.8
101.02351	3.2
104.04955	0.6
106.06514	1.5
107.03671	7.5
113.02359	2.2
120.04465	1.3
120.08046	0.7
121.05325	0.6
122.06033	43.7
123.06358	1.3
124.07587	0.7
132.04485	0.9
134.06050	7.5
135.06380	0.5
136.07613	0.8
139.02679	3.7
143.07112	0.5
146.06024	0.5
148.07634	0.4
150.05525	1.4
152.07109	63.4
153.07483	2.9
158.02452	0.3
158.06085	0.3
159.02946	0.3
159.05209	0.2
160.03969	1.0
161.04532	1.4
161.08163	1.0
162.05618	0.5
164.07170	0.3
166.05072	0.7
174.05560	0.9
176.03552	0.5
185.10797	0.3
186.05603	0.4
187.09668	0.6
190.05029	1.5
197.07271	0.3
200.03584	0.5
209.07193	0.3
210.07906	0.7
211.08766	2.0
213.10367	1.0
214.05054	0.3
214.10706	0.3
215.11887	1.5
221.11002	0.4
222.07970	0.5
223.08678	1.9
224.09497	1.4
225.10272	2.1
227.11864	0.8
235.08807	0.7
236.05983	0.8
236.09654	0.7
237.06703	3.0
237.10237	1.3
238.11057	0.7
239.11923	1.6
241.13596	0.8
245.12944	0.4
248.09714	0.3
249.06682	0.9
249.10390	0.8
250.07536	1.5
250.10925	0.4
251.08229	4.7
251.11955	0.9
252.08942	0.7
253.09886	0.7
261.10559	0.4
262.11212	0.4
263.08328	2.2
263.11951	0.8
264.09033	2.3
265.09891	3.8
266.10477	0.4
267.11450	0.8
269.09525	0.3
269.13028	0.8
271.10791	0.3
275.12015	0.3
276.09198	0.6
277.09839	1.3
277.13034	0.8
278.10623	1.0
279.08405	0.4
279.11453	2.3
280.12225	0.4
281.12991	0.5
283.10980	2.2
284.11554	0.3
285.12552	0.8
287.13965	0.5
291.07861	0.8
291.11542	0.7
292.08447	0.4
293.09457	0.8
293.12845	0.4
295.11005	0.9
305.09625	1.3
306.10147	0.6
306.16284	0.5
307.10934	2.4
308.11719	0.4
309.12601	0.3
313.12183	0.3
316.11093	0.5
318.09915	0.3
318.16064	0.6
319.10934	0.9
321.12820	0.4
323.10373	0.6
323.13742	0.4
325.12030	1.0
328.11102	0.8
329.11649	0.3
330.12589	1.0
330.16147	0.5
331.13327	0.9
332.14185	0.4
337.12082	0.4
338.12451	0.3
339.09778	0.5
339.13522	3.6
341.11804	0.3
342.08875	0.4
342.12515	1.2
342.16293	0.7
343.13168	0.6
344.14001	2.0
345.14600	0.8
346.15588	2.6
347.15955	0.5
351.13544	0.9
355.13181	1.4
356.10281	0.9
356.14264	1.0
357.14932	0.4
358.12091	1.7
358.15683	1.9
359.16428	1.0
360.17230	2.2
365.11383	0.3
368.14136	0.6
370.11966	1.1
370.15781	0.6
371.12808	1.1
372.13544	2.2
372.17407	0.7
373.14337	1.2
374.15118	1.0
376.16968	0.4
382.11581	0.3
384.13260	0.7
384.17392	1.2
385.13855	1.3
386.15143	4.2
387.15851	1.1
388.16635	0.7
398.14862	1.4
399.15881	0.9
400.16602	1.6
401.17841	0.4
402.14075	1.5
402.19034	0.4
404.16281	0.4
409.14655	0.3
412.12939	1.0
412.17133	0.7
416.16122	1.0
417.17007	1.1
418.17493	0.4
427.15134	0.6
428.16138	2.7
429.16568	0.4
430.17822	0.7
440.16074	1.6
441.17221	0.4
448.18774	1.5
459.17868	1.9
460.18875	5.2
461.19366	0.9
465.19513	0.4
470.17041	0.5
472.18735	1.5
473.19220	0.4
479.15683	0.3
495.20071	0.3
502.19714	2.0
503.20612	1.1
504.21527	4.5
505.21677	0.6
510.22467	0.5
511.23581	0.7
523.20087	1.0
525.25281	1.1
538.22162	0.5
539.23145	0.8
549.25232	0.9
551.23157	2.1
552.23633	0.9
565.24969	0.3
570.24994	1.3
571.25720	2.6
572.26196	0.4
593.24103	6.7
594.24487	0.9
597.27808	0.7
607.27509	0.8
608.26093	0.3
611.25549	0.5
625.26782	100.0
626.27118	18.0
643.28076	0.7
690.58752	0.3
768.33838	0.8
808.33344	0.4
840.36206	0.5
842.37598	0.8
889.39349	1.1
890.39520	0.9
931.40228	4.4
932.40094	0.8
963.42627	19.9
964.42712	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	957.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	4.0
73.02831	2.2
80.04964	2.5
81.03368	0.6
83.01283	1.2
85.02857	2.6
88.98683	0.7
94.06526	4.3
95.01292	0.7
96.95927	1.2
101.02351	1.1
104.04993	1.4
106.06543	4.6
107.03686	12.3
108.04529	1.1
110.00013	3.1
111.00805	6.4
113.02349	1.9
116.92815	0.9
120.04471	1.6
120.08125	3.9
121.05266	1.1
122.06039	71.7
123.06365	2.5
124.07615	1.3
125.02358	2.3
132.04472	2.3
134.03807	0.6
134.06046	22.6
135.04436	0.6
135.06454	0.8
136.07607	3.1
137.02420	0.6
137.99506	2.3
139.00311	28.8
139.02649	6.2
140.01025	2.2
146.06084	0.9
148.03998	1.0
148.07640	0.7
150.05539	4.9
152.01129	1.0
152.07118	100.0
153.01877	25.6
153.03812	0.7
153.07472	4.5
154.02661	25.4
155.03381	2.8
158.02419	1.1
160.03975	2.1
161.04695	1.5
164.07137	1.0
166.02629	0.7
166.05026	1.8
168.04234	4.5
169.05026	12.5
173.04655	0.9
174.05583	1.5
175.04048	0.7
176.07155	0.7
177.01891	1.0
180.06595	0.8
190.05067	5.7
191.05539	0.9
192.06587	0.7
201.14104	0.6
209.07251	0.9
210.07898	1.7
211.08716	2.3
213.06853	0.9
213.10408	1.7
215.11894	6.6
221.10779	1.0
223.08821	4.3
224.09589	2.2
225.10289	4.8
226.10999	1.1
227.11888	1.2
235.08849	0.9
236.05827	1.0
236.09634	0.9
237.06725	2.6
237.10403	3.2
238.07201	0.7
238.11070	2.5
239.11913	6.0
241.13469	3.0
243.15001	1.6
245.13089	1.8
249.06721	2.8
249.10310	3.1
250.07501	2.3
251.08250	8.9
251.11964	3.1
252.09093	1.0
253.09766	1.0
253.13504	1.3
261.10306	1.1
263.08273	3.3
263.11993	1.6
264.09018	3.9
265.09854	9.4
266.10287	0.9
267.11380	3.0
268.11789	0.6
269.13058	2.0
271.10947	2.2
276.09076	0.9
277.06946	0.9
277.09781	3.7
278.10538	1.5
279.08600	0.7
279.11469	5.5
280.12305	1.2
281.09662	0.8
281.12927	1.9
283.11020	3.0
285.12552	3.5
287.14066	8.7
288.14493	1.3
289.10049	0.8
291.07874	0.9
291.11392	1.9
292.12253	1.1
293.09491	1.7
293.12775	0.8
295.10892	2.5
295.14352	1.0
296.11850	0.7
297.12561	1.8
305.09348	3.5
307.11044	3.0
311.14096	0.7
313.12122	1.7
314.09610	0.6
315.10333	0.7
318.16180	1.4
323.10446	2.6
324.11035	0.8
325.11963	2.6
326.12805	1.2
328.11002	0.7
330.12320	1.9
330.16122	1.4
331.13446	1.4
332.14008	1.9
337.12244	1.2
339.13593	2.4
341.11258	1.0
342.12488	1.9
342.16245	3.1
343.13284	1.1
344.14063	2.7
345.14920	2.2
346.15646	5.2
351.53763	0.7
355.13107	12.9
356.13788	1.9
357.14923	1.1
358.11981	2.6
358.15762	3.9
359.12299	0.9
359.16327	2.4
360.17365	4.8
361.17972	1.3
370.11856	1.9
371.12695	2.0
371.16660	1.3
372.13510	2.5
372.17532	1.1
373.14337	1.7
374.15106	1.9
382.11877	0.9
384.13098	1.3
384.17163	2.5
385.14420	1.6
386.15155	14.6
386.19589	1.3
387.15662	1.6
388.16776	1.8
398.15158	2.7
399.15765	2.2
400.16629	4.0
401.16937	1.1
402.14099	1.3
402.18689	1.2
410.14990	0.8
412.16812	1.9
414.18524	3.2
416.16135	2.2
417.16711	0.9
428.15952	6.2
429.16852	1.0
430.17691	2.0
431.18329	2.8
435.19101	0.8
439.95322	0.7
440.16312	2.9
442.17853	1.0
446.17029	0.8
448.18716	3.4
449.18805	0.7
459.18103	1.3
460.18906	3.6
461.19565	0.9
470.17181	2.5
471.17966	2.5
471.24295	1.5
472.18793	1.7
490.20050	0.8
502.20032	1.5
504.21527	1.2
511.23669	2.6
523.23071	0.7
525.25195	2.0
539.23267	1.3
545.41125	0.8
547.23621	0.7
549.25470	1.5
551.23151	5.1
552.23694	1.3
565.25037	1.4
567.25519	1.1
571.25720	3.8
572.26001	0.9
575.23096	0.9
583.25452	0.8
592.22968	1.4
593.24213	61.9
594.24506	8.9
599.22693	0.8
601.24304	5.7
611.25275	4.8
612.25830	1.2
625.26807	31.8
626.27081	6.4
643.28125	3.8
644.27979	1.1
685.27563	1.6
713.28375	0.7
755.29846	3.1
756.29523	0.9
759.26434	0.8
761.27960	1.5
762.28772	2.9
787.31921	6.6
788.31879	1.4
802.28461	3.3
803.28320	1.1
834.30847	2.5
835.30988	1.2
857.36115	2.5
883.34241	11.5
884.35077	12.4
885.35284	2.7
925.35315	36.1
926.35681	9.7
957.37988	49.0
958.38171	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5787
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	1.1
71.58710	0.3
71.59058	0.2
78.95795	16.4
85.02824	0.5
87.00774	0.5
89.02334	0.8
96.95950	0.3
101.02332	0.8
113.02359	0.2
116.92765	0.6
122.00042	0.6
125.77829	0.2
134.98402	0.4
140.01115	5.2
143.03445	0.3
152.99539	1.4
196.03786	9.4
197.04080	0.3
214.04826	2.0
241.21747	100.0
242.22093	7.4
299.63513	0.2
438.26349	75.6
439.26682	7.3
721.41901	0.9
803.14978	0.3
849.46747	0.5
867.48120	2.4
909.48407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42647	1.8
69.24845	1.7
71.01272	8.5
71.57434	1.9
73.02853	3.3
80.04952	3.1
85.02850	6.6
87.00792	2.3
88.98743	2.2
89.02343	4.9
91.01769	2.4
94.06529	5.6
95.01266	2.4
96.95910	6.7
99.00774	2.6
101.02336	4.2
104.05000	2.6
106.06501	5.6
107.03669	10.5
108.02075	5.0
108.15742	1.8
109.02859	4.1
113.02374	4.0
116.92794	1.9
120.04475	2.5
120.08117	5.2
121.02835	2.5
122.03671	7.7
122.06040	75.4
123.04437	18.8
123.06342	3.9
132.04535	3.7
134.06038	24.6
135.04517	3.1
136.07623	3.6
139.02673	8.9
150.05533	3.0
152.01186	2.3
152.07114	100.0
153.07440	3.3
160.01637	3.2
160.04027	3.9
161.04610	2.5
166.04988	2.3
167.03430	11.8
173.04523	4.7
175.03972	3.5
179.03470	2.5
190.04945	4.5
191.05618	4.7
211.08743	2.2
213.10254	3.5
215.11906	7.2
223.08771	5.9
224.09598	3.2
225.10387	5.2
227.11902	2.0
235.82532	2.2
237.06693	3.8
237.10368	4.5
239.11989	4.7
241.13446	4.5
245.12994	1.9
251.08347	6.3
251.11897	2.0
261.10199	2.4
263.08289	4.5
264.09036	5.7
265.09894	7.1
267.11450	2.7
269.13000	2.6
277.09784	4.0
278.10672	2.0
279.11380	9.0
283.10791	2.3
285.12378	4.0
287.14072	7.0
291.11356	2.2
295.11020	2.7
305.09225	3.1
307.10959	2.4
323.10504	3.0
325.11752	2.8
327.21872	6.7
329.08887	3.3
344.14130	2.6
345.14783	2.5
346.15656	2.6
355.13147	4.7
358.15598	4.7
360.17166	6.8
384.13290	2.9
384.17615	3.5
386.15024	8.2
398.15479	2.9
400.16486	4.0
402.18399	5.7
412.17050	2.3
428.16022	5.5
438.33167	2.1
440.16080	3.2
448.18942	2.9
460.18896	5.0
471.17871	4.8
472.18588	3.5
551.23132	3.4
567.26129	3.4
571.25891	2.9
593.24121	78.2
594.24615	12.6
611.25226	13.4
612.26013	2.3
625.26794	80.5
626.27094	13.1
643.27545	9.0
685.28925	5.9
714.29974	2.3
755.29431	16.7
756.29474	4.4
787.32037	29.5
788.31812	5.8
879.34460	8.3
911.37634	4.9
919.36432	2.5
923.33801	36.0
924.34131	8.1
955.36865	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	945.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27206	0.7
69.27628	0.4
73.19990	0.1
78.95791	51.1
96.96861	6.6
96.97503	0.2
102.70617	0.1
124.36689	0.1
133.50461	0.1
150.97964	2.0
152.99521	100.0
153.99866	1.6
171.00591	4.5
173.04591	0.1
188.69302	0.1
209.11780	0.2
261.38632	0.1
276.30792	0.1
277.21786	0.9
401.90472	0.1
431.22095	40.3
432.22437	4.3
760.10455	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	947.5961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35869	0.1
69.41273	0.2
69.41675	0.8
71.01270	9.4
72.99196	0.9
73.02837	0.7
75.00790	0.1
78.95787	1.0
83.00864	0.1
83.01284	0.9
84.02066	0.1
85.02846	2.1
85.99998	0.2
87.00768	0.9
89.02337	7.8
90.02664	0.1
95.01277	0.7
96.95922	0.1
98.20591	0.2
99.00790	0.3
101.02347	7.0
102.02689	0.1
113.02354	3.7
119.02578	0.2
119.03413	3.2
125.02297	0.1
131.03429	0.3
135.41861	0.1
143.03445	0.2
149.04497	0.2
152.23065	0.1
152.99533	1.2
153.99875	0.2
154.99884	0.1
161.04510	0.2
171.10207	0.1
172.74716	0.1
179.05524	0.3
197.19128	0.1
197.64641	0.1
222.39125	0.1
223.20689	0.8
225.22238	15.1
226.22473	0.9
239.23839	0.4
253.21765	3.6
254.22148	0.3
255.23349	0.6
267.23294	1.4
271.22836	28.9
272.23203	2.4
277.22000	0.2
313.23956	0.5
431.22141	0.3
432.22803	0.2
433.28140	100.0
434.28485	11.8
592.85010	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	943.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	2.0
69.39780	1.8
69.40202	5.2
69.62128	0.8
71.01273	16.1
71.04916	1.4
72.99193	1.6
73.02843	2.9
75.00773	1.1
76.88110	0.7
81.03334	1.1
83.01266	2.0
83.04906	0.8
85.02847	4.5
87.00782	5.0
89.02341	8.2
95.01291	1.8
97.02858	10.1
97.06501	2.5
99.00780	23.1
101.02347	10.3
109.06512	1.2
110.03685	1.4
111.04457	1.1
113.02345	5.7
116.92751	1.3
119.03428	1.7
123.08140	1.4
125.02367	6.4
125.09647	8.3
135.08060	1.3
136.05226	1.5
142.02643	3.4
143.03452	0.7
145.10104	0.7
146.38409	0.7
161.04512	1.8
161.09622	1.2
163.11238	11.1
179.05615	1.2
181.12306	20.2
181.13931	1.0
182.12657	0.8
197.11905	1.0
199.13359	2.4
201.85223	0.6
202.82045	0.7
207.10249	55.1
208.10588	2.9
223.13542	0.8
224.24101	0.8
225.11330	75.4
226.11635	4.1
235.08228	2.2
243.12402	26.5
244.12688	1.2
253.09435	0.9
263.07742	1.9
277.10019	0.8
277.21783	58.6
278.22079	4.7
287.07706	0.8
305.08643	0.8
317.15985	1.0
379.12564	3.1
393.95068	0.8
397.13660	9.3
398.13870	1.1
415.14371	1.8
553.90088	0.6
595.17310	0.8
605.02869	0.9
605.14911	1.1
605.24683	22.1
606.25104	2.2
623.25372	9.5
624.25867	1.9
883.47162	100.0
884.47583	24.7
884.64838	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	943.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	1.9
70.38729	0.5
71.01269	17.4
71.01671	0.9
71.04928	2.4
72.01632	0.4
72.99187	1.4
73.02827	3.0
74.95106	0.4
75.00763	1.3
75.13467	0.5
80.96430	0.7
81.03342	1.7
83.01276	3.1
83.04925	1.0
85.02844	4.8
87.00776	8.0
89.02342	8.6
95.01289	1.4
95.04939	0.7
97.02853	13.0
97.06496	2.2
99.00784	21.1
99.01434	1.1
101.02344	10.1
109.02868	1.0
109.06493	2.3
110.03657	1.7
111.04451	0.6
113.02356	5.8
116.92831	0.6
119.03419	2.0
123.04424	0.9
123.08080	1.5
124.01548	0.7
125.02366	7.4
125.09657	6.6
135.08087	0.9
136.05237	1.1
137.59488	0.5
139.03981	0.5
142.02672	2.7
143.03435	1.8
161.04494	2.4
161.09657	0.7
163.10004	0.8
163.11246	10.3
164.11510	0.6
179.05641	0.8
179.10727	1.2
181.12300	22.7
182.12691	1.1
189.09155	0.5
189.13019	0.5
197.11824	1.1
199.13388	4.2
207.10255	62.4
208.10611	4.1
221.06670	1.8
223.13402	1.2
225.11333	98.5
226.11691	5.7
229.27046	0.5
235.08221	2.0
243.12408	37.1
244.12843	2.5
253.09567	0.7
263.07831	1.4
267.12299	0.8
277.21793	53.1
278.22043	3.9
287.07858	0.9
299.15079	0.8
305.08893	1.2
305.84543	0.5
317.16110	3.3
379.12573	1.4
397.13629	6.7
415.14844	0.6
425.18423	1.0
434.90485	0.5
461.20258	1.4
605.24670	31.4
606.24951	3.7
623.25684	27.4
624.25818	3.7
657.34717	0.7
721.41437	0.6
883.47198	100.0
884.47443	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84983	0.6
70.48215	2.4
71.01266	8.6
73.02850	2.6
75.30489	0.7
75.56638	0.7
80.04945	1.9
83.01258	1.1
85.02843	2.0
87.00777	1.4
89.02328	4.7
94.06529	2.6
95.01297	0.9
96.95918	1.3
104.04949	1.2
104.42727	0.7
106.06528	4.9
107.03680	8.3
108.04483	1.0
113.02367	3.0
114.58887	0.7
119.03381	1.7
120.04459	1.8
120.08141	1.0
121.05256	1.0
122.06038	40.1
123.04420	2.2
123.06371	1.5
124.07635	0.9
132.04486	2.2
133.84827	0.7
134.03630	0.8
134.06046	24.9
135.04454	16.0
135.06358	1.2
136.07628	2.2
139.02667	2.2
148.04007	0.8
150.05551	2.1
152.07114	57.1
153.05530	1.7
153.07446	2.6
158.02441	0.8
158.06010	0.7
160.03926	2.0
161.04652	0.7
166.05045	0.8
167.28415	0.9
173.04558	1.1
179.05634	0.7
190.05070	2.2
210.07845	0.7
211.08765	2.1
213.10300	2.1
213.85779	0.6
215.11858	3.5
221.10927	1.0
223.08777	2.6
224.09549	0.9
225.10298	3.4
227.11955	2.0
235.08690	0.9
237.06750	1.5
237.10341	1.6
238.11095	0.7
239.11914	1.5
241.13481	3.3
245.13026	1.3
249.06693	2.2
249.10370	2.0
250.07588	1.6
250.11395	0.7
251.08293	6.8
251.11853	2.0
252.08945	1.3
253.09871	1.6
253.13397	1.0
254.09996	0.6
261.10117	0.8
263.08307	3.7
263.11951	1.3
264.09091	3.2
265.09848	12.4
266.10330	1.5
267.11444	3.3
269.12988	3.2
277.09848	4.5
278.10593	1.3
279.11392	4.8
280.12280	0.9
281.12915	1.1
283.10858	1.3
285.12592	1.1
287.14130	2.4
290.10538	0.7
291.07919	1.4
291.11234	1.2
292.12164	1.5
293.09482	2.6
293.12805	0.9
295.11066	2.7
297.09662	1.0
297.12585	0.8
305.09427	3.8
307.10968	2.4
313.12415	0.8
315.10907	12.6
316.11108	1.1
318.16165	1.8
323.10294	1.3
324.11090	1.4
325.12030	2.2
327.13831	0.9
329.15277	2.0
330.12482	1.2
330.16080	1.2
332.13486	0.7
337.12262	0.9
342.12518	1.2
342.16141	2.0
343.13254	0.9
344.14081	2.0
345.14746	1.0
346.15616	2.8
355.13181	2.3
356.10181	0.9
356.13974	1.8
358.11838	1.0
358.15814	3.5
359.16284	0.8
360.17233	4.4
370.11755	1.4
370.15891	1.0
371.12607	1.6
372.13303	1.2
372.17374	1.4
384.13226	1.1
384.17514	1.6
385.13998	1.6
386.15088	15.3
386.19022	1.0
387.15759	1.8
388.16885	1.2
398.15216	2.1
399.15875	2.7
400.16718	3.6
402.18124	2.5
412.16754	1.5
414.18192	3.9
426.18600	1.2
428.15884	3.9
429.16867	0.8
430.17508	1.1
440.16360	1.5
443.18546	1.7
446.17035	1.7
448.19138	0.9
453.17166	0.9
460.18762	1.4
470.17361	1.2
471.18143	4.2
472.18967	1.5
490.20288	1.1
492.22116	0.7
493.69254	0.8
511.23553	1.2
547.23767	0.9
551.23053	3.5
565.24365	2.1
567.26642	1.3
575.23096	1.4
585.24335	4.1
593.24200	100.0
594.24597	19.1
594.32098	0.5
611.25055	3.5
612.25598	1.1
625.26825	14.5
626.27051	4.0
746.30597	1.1
786.28772	1.3
814.42847	0.9
841.37848	1.0
867.34680	2.9
868.35382	3.8
878.39801	1.2
909.35883	41.6
910.36383	14.3
941.38257	9.0
942.38483	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	941.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	24.2
71.58868	2.4
72.99207	3.0
73.02840	5.3
74.22787	1.6
81.03380	2.1
83.01295	3.5
83.04893	2.0
85.02845	11.8
87.00782	6.3
87.50913	1.5
88.98705	2.0
89.02357	12.4
93.03379	2.8
94.06515	3.0
95.01237	1.6
96.95905	10.2
97.02847	2.5
101.02340	11.3
106.06523	3.8
107.03687	11.0
108.02090	5.1
108.04477	2.5
109.02865	4.0
113.02367	11.8
116.92757	3.1
119.03409	5.3
120.04478	2.9
120.08146	2.7
121.02829	2.1
122.06036	70.1
123.04427	5.0
123.06363	3.9
125.02393	3.6
127.03948	2.0
132.04489	3.7
134.03612	3.8
134.06041	29.2
135.04456	13.6
136.07591	1.8
138.05490	3.1
139.02686	3.4
143.03409	3.8
150.05499	4.6
152.01126	7.9
152.07115	86.2
153.01842	5.6
153.05484	4.2
153.07463	2.1
155.03423	1.7
160.01584	2.1
160.03996	1.8
161.02328	2.8
161.04668	3.0
162.05548	2.0
173.04575	5.7
191.05586	2.4
193.05112	1.9
211.08739	3.2
213.10287	2.2
215.11824	3.6
223.08775	3.1
225.10341	6.3
236.05981	4.9
237.06696	5.9
237.10313	4.2
239.11794	2.6
249.06673	2.1
249.10390	3.1
250.07513	2.8
250.11009	1.9
251.08260	20.4
251.12141	2.4
252.08899	2.1
253.13477	1.7
263.08347	5.5
263.11841	2.7
264.09149	4.9
265.09851	17.3
267.11563	2.3
269.12912	1.9
277.09818	7.1
278.10651	4.0
279.11365	7.2
281.13174	2.7
283.10880	2.1
285.12570	2.2
287.14221	2.3
291.11328	3.6
292.42874	1.7
293.09503	2.1
293.13208	1.7
305.09427	6.2
307.10876	4.1
315.10925	13.6
324.11066	2.3
325.12048	3.6
326.46481	1.8
328.11105	2.1
355.13062	3.4
358.15591	3.1
360.17188	2.4
370.15692	2.8
374.15155	2.8
384.13434	2.0
386.14987	8.3
389.17551	2.1
398.15076	3.4
399.15863	2.3
402.18683	2.2
412.16742	3.0
414.18344	2.3
416.16226	8.6
428.15884	4.0
430.17798	5.9
448.18695	3.4
460.18600	2.7
470.17175	2.7
471.18320	3.9
472.18649	3.4
490.20096	3.1
503.20746	5.7
504.21503	3.5
546.92004	2.3
551.23492	3.7
571.26031	2.8
585.24500	3.1
593.24176	100.0
594.24615	17.1
611.25061	5.0
625.26813	57.5
626.27240	12.4
643.28040	9.1
753.40887	20.9
754.41156	3.9
787.30499	2.7
841.37024	2.8
881.45422	2.8
899.46564	28.9
900.46973	4.9
905.38165	4.2
909.35663	49.6
910.36084	17.3
941.36078	19.9
942.38226	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	939.6444
Annotation	beta-D-Mannosylphosphodecaprenol
Peak:m/z	Relative Intensity
71.01273	2.3
71.56498	0.6
73.02824	0.7
73.77345	0.6
78.95789	0.6
83.04904	1.1
85.02846	1.6
87.00758	0.8
93.03339	1.0
96.95899	3.0
101.02322	1.1
113.02332	1.0
116.92723	1.0
122.06020	1.4
130.09915	0.5
133.02864	0.9
134.03682	1.0
134.06076	0.7
135.04443	1.3
145.02748	0.7
152.07071	2.4
161.04460	0.7
173.04489	2.9
175.03993	0.7
177.78271	0.6
179.95975	0.5
191.05544	2.6
641.25781	0.8
816.32709	3.2
817.32721	1.0
903.66821	2.6
939.64435	100.0
940.64673	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90524	0.8
69.90937	1.5
71.01269	13.1
72.99213	0.9
73.02844	2.5
80.04943	1.1
80.27383	0.4
83.01285	1.0
85.02839	3.3
87.00791	0.8
89.02336	8.8
94.06517	3.0
95.01277	1.2
96.62952	0.4
96.95864	0.4
98.19800	0.7
101.02344	7.1
102.22723	0.4
104.04959	0.8
106.06509	1.8
107.03677	11.0
113.02358	3.5
113.34840	0.3
117.01852	0.7
119.03437	2.8
120.04453	1.3
120.08116	1.0
121.05211	0.9
122.06039	49.8
123.06400	1.9
124.07611	1.0
131.03447	0.5
132.04477	1.1
133.04993	0.8
134.06050	10.3
136.07628	1.5
139.02682	3.5
146.06038	0.6
148.07642	0.9
150.05553	2.3
151.06073	3.8
152.07112	77.1
153.07469	2.6
158.06065	0.5
160.03967	1.2
161.04613	1.1
162.05579	0.6
164.07108	0.6
166.04977	0.8
173.04552	0.9
174.05537	1.0
176.11464	0.4
179.05586	1.6
186.05580	0.5
190.05014	2.0
191.05597	0.7
200.03525	1.0
200.09550	0.4
209.07236	0.5
211.08769	2.1
212.09120	0.4
213.06706	0.6
213.10339	2.2
215.11855	3.7
223.08775	2.4
224.09528	1.6
225.10254	2.7
227.11794	0.8
235.08662	0.5
236.05916	0.9
237.06696	3.2
237.10355	1.6
238.07166	0.7
238.10985	0.6
239.11845	2.4
241.13475	1.1
245.13019	0.8
248.09413	0.5
249.06720	1.2
249.10371	1.2
250.07484	1.5
251.08278	4.6
251.11951	1.7
252.08893	1.6
253.09735	0.6
253.13458	0.7
261.10229	0.9
263.08237	1.8
263.11899	1.0
264.09073	2.4
265.09882	4.4
266.10516	0.8
267.11322	1.3
269.12985	1.8
276.09131	0.7
277.09717	1.9
278.10913	0.8
279.11365	2.7
280.12048	0.7
281.09473	0.5
281.12921	0.8
283.11002	2.4
285.12463	1.0
287.14108	1.6
291.07791	1.5
291.11115	0.7
293.09387	0.9
295.10901	1.8
297.12381	0.7
305.09375	1.6
306.16110	0.6
307.11017	3.0
313.11575	2.2
314.09659	0.4
318.16174	0.9
319.10858	1.1
323.10406	1.3
325.12009	1.3
326.12830	0.4
327.13528	0.5
328.10977	0.8
329.11801	0.5
329.15283	2.2
330.12570	1.5
330.16190	0.8
331.13318	0.8
332.14148	0.6
337.12018	0.9
338.12866	0.5
339.13538	3.9
342.12433	1.5
342.16226	1.7
343.13477	0.5
344.13974	2.1
344.17700	0.6
345.14783	1.0
346.15823	2.0
351.13351	0.8
355.13074	2.3
356.10324	0.9
356.14169	0.8
357.11053	0.6
357.15063	0.9
358.11832	1.6
358.15701	1.6
359.16504	1.5
360.17322	3.6
365.11694	0.5
368.14331	0.5
370.11935	1.5
371.12515	1.4
372.13501	2.5
372.17389	1.0
373.14224	1.5
374.15048	1.3
384.13077	0.9
384.17661	2.2
385.14383	1.6
386.15082	6.3
387.15549	1.1
388.16736	0.7
396.17401	0.7
398.15146	1.9
399.15778	1.2
400.16739	2.5
402.14313	1.2
402.18707	0.7
404.15918	0.7
412.12613	0.7
412.17419	0.7
414.18280	1.3
416.16266	1.3
417.17078	0.8
428.16129	3.9
429.16544	1.0
430.17719	1.0
440.16370	2.1
448.18753	2.3
449.19385	0.6
459.18109	2.1
460.18927	7.2
461.19272	0.9
470.17603	0.7
471.17990	1.0
471.24127	0.5
472.18652	2.5
483.24045	0.4
488.18164	0.5
490.19818	1.1
494.23514	0.4
502.19968	1.3
503.20538	0.7
504.21515	3.2
505.21518	0.6
509.22592	0.5
511.23471	1.2
522.22479	0.5
523.20160	0.9
539.23114	1.0
549.25476	0.8
551.23218	2.3
552.23737	1.2
553.25299	0.5
565.24463	0.6
567.25970	0.7
570.25201	0.8
571.25836	3.2
572.26215	0.5
583.25488	2.3
593.24188	14.7
594.24524	3.0
597.27081	0.6
611.25208	1.4
612.25879	0.5
625.26788	100.0
626.27094	19.0
626.37708	0.6
643.27606	2.7
644.28302	0.5
744.29669	0.7
748.55005	0.5
784.29706	0.8
816.31714	0.7
865.34753	1.6
866.36053	1.3
907.36389	11.1
908.36542	3.0
939.38934	20.3
940.39398	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	937.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94913	0.8
71.01269	9.9
71.29955	2.0
72.99199	1.5
73.02827	1.8
82.95192	0.9
83.01260	1.0
85.02841	3.6
87.00768	2.3
89.02349	7.4
93.03352	1.9
95.01297	1.2
96.95905	3.2
101.02342	6.4
109.02816	1.2
113.02340	3.6
116.92746	1.2
119.03386	2.3
122.06047	3.3
131.03484	1.0
134.06091	1.3
152.07094	2.5
161.04471	1.1
173.04572	2.1
191.05588	3.1
208.99466	1.0
219.07948	1.5
241.09833	3.3
247.07642	1.6
257.12814	1.2
283.10873	3.7
385.90323	0.9
453.43640	1.0
491.65924	1.0
581.23663	14.0
582.24341	2.3
643.27698	1.7
685.28973	1.2
755.42499	2.1
901.34235	1.3
901.48212	82.8
902.48383	16.2
937.46021	100.0
938.46429	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	934.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01283	0.8
71.58376	1.0
78.95789	24.5
83.75897	0.7
96.95914	7.5
96.96857	2.8
130.19543	0.9
152.99527	35.3
171.00598	9.0
227.03166	1.9
245.04347	52.6
246.04704	1.5
253.21750	25.1
255.23227	2.7
341.76886	0.9
452.27847	2.6
481.25827	100.0
482.26166	8.3
552.55933	0.9
676.81128	0.9
891.24634	1.1
916.47284	1.7
934.49933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.369
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46889	0.5
68.57601	0.6
69.40061	5.4
71.01266	5.3
73.02840	1.9
74.17802	0.5
75.00787	0.6
76.94888	0.6
80.04949	2.2
83.01279	1.5
85.02846	2.5
93.03360	0.6
94.06518	4.3
95.01294	2.0
96.95901	1.4
99.00736	0.8
101.02325	1.8
104.04965	1.1
106.06519	3.8
107.03666	12.7
108.04482	0.6
113.02357	2.3
120.04493	1.9
120.08100	2.6
121.05289	1.2
122.06039	70.6
123.00799	23.8
123.06380	2.2
124.01591	33.6
124.07628	1.3
125.02408	1.3
132.04500	2.1
134.06047	18.5
135.06429	0.7
136.07605	2.6
138.03148	3.7
139.00279	0.8
139.02686	4.5
139.03932	12.6
140.04231	0.6
148.03986	1.3
148.07590	0.8
150.05638	2.7
152.07114	100.0
153.07481	4.3
158.02452	0.7
160.04018	1.4
161.04610	1.8
161.07172	0.7
162.05595	0.7
164.03561	0.7
166.05054	1.1
173.04533	1.2
174.05566	1.8
175.03911	0.8
176.03537	0.8
180.06731	0.5
186.05518	0.7
190.05019	4.3
191.05579	0.6
192.06676	0.7
200.09521	1.6
209.11823	0.6
210.07971	1.0
211.08752	2.9
213.10333	2.3
215.11891	7.3
221.10971	1.4
222.07924	0.7
223.08719	3.4
224.09531	2.4
225.10341	4.7
227.07979	0.7
227.11882	1.5
235.08859	0.8
236.05714	0.9
237.06677	3.4
237.10243	3.2
238.07256	0.6
238.11128	1.6
239.11838	3.7
241.13560	2.9
245.13123	1.0
247.08762	0.8
249.06798	1.4
249.10333	1.9
250.07492	2.4
251.08318	6.4
251.11975	2.7
253.09740	0.9
253.13445	1.4
261.10434	0.7
263.08282	3.9
263.11966	1.6
264.08954	3.4
265.09863	8.6
266.10342	1.1
267.11383	2.7
268.08603	0.6
269.12946	3.1
271.10928	0.9
275.08426	0.6
276.92941	0.6
277.09906	2.7
278.10654	1.9
279.08557	0.8
279.11432	4.3
280.11981	1.3
281.09296	0.7
281.12900	1.1
282.05753	0.6
283.10925	3.2
285.12537	2.4
287.14130	7.6
291.07770	0.9
291.11322	1.2
293.09293	1.3
293.12854	1.0
295.10986	2.1
295.14313	0.6
296.11871	1.0
297.12463	1.2
299.14160	0.8
305.09320	3.3
306.09946	0.8
307.10745	2.7
313.12064	1.0
316.10910	0.7
318.16235	2.0
319.10864	1.1
321.12390	0.7
323.10410	2.4
325.12070	2.1
326.12881	0.8
328.10947	1.6
329.11752	0.9
330.12567	2.0
331.13162	1.3
332.14218	0.9
339.13577	3.1
341.11487	0.7
342.12430	1.6
342.16254	3.2
343.13010	1.2
343.16754	1.1
344.14102	3.6
345.14783	2.0
346.15643	5.4
347.16315	0.9
354.12701	0.8
355.13089	9.5
356.13702	2.3
357.11035	1.0
358.11832	2.1
358.15771	3.2
359.16275	2.3
360.17255	4.6
361.17471	0.9
365.11658	0.7
368.14465	0.6
370.12061	1.7
370.15988	1.0
371.12869	1.7
372.13614	3.4
372.17111	1.2
373.14175	1.7
374.15018	1.9
376.16843	1.2
382.11859	1.0
383.16998	0.8
384.13077	1.4
384.17233	2.4
385.14404	2.4
386.15021	9.8
387.15543	1.9
388.16779	1.7
390.14468	0.6
396.17307	0.8
398.15341	2.6
399.15524	0.9
400.16559	3.5
402.14127	1.2
402.18503	1.7
404.19934	0.8
412.16800	1.7
414.18253	2.0
416.16318	2.0
426.18570	1.4
428.16177	4.7
430.17764	1.5
431.18225	1.9
440.16348	1.7
448.18982	3.4
459.18060	1.1
460.18829	5.3
470.17087	0.8
471.17999	1.2
472.18881	0.8
479.20575	0.7
494.23618	0.7
497.21869	0.9
502.19815	1.8
503.20532	0.9
504.21402	2.2
511.23578	2.0
523.20471	0.9
525.25281	1.1
537.21191	0.8
538.22601	0.8
539.22827	0.7
549.25391	1.4
551.22821	3.9
552.23608	1.7
569.22748	0.7
570.24896	1.3
571.24219	9.6
572.24408	0.9
592.23315	0.9
593.24200	53.0
594.24591	7.9
611.25232	3.9
625.26807	71.9
626.27106	14.2
627.27557	0.9
643.27734	3.2
644.28314	1.0
655.25366	1.1
714.30060	0.8
731.27637	0.8
732.27399	3.1
772.27344	2.2
773.27124	0.7
787.32166	3.4
804.29736	2.3
805.30841	1.0
827.35156	1.5
851.35138	0.7
853.33252	10.0
854.33667	9.7
855.34412	2.4
891.39630	1.3
895.34320	23.3
896.34430	6.6
927.36981	47.3
928.37347	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	937.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03356	1.2
70.78932	1.4
70.79269	1.8
71.01272	12.0
73.02840	6.4
78.95814	1.1
80.04948	1.6
81.03370	0.8
81.22723	1.1
83.01312	1.4
85.02849	6.7
87.00778	1.8
89.02345	3.7
93.03374	1.5
94.06514	2.5
96.95921	4.2
97.02880	0.8
101.02364	17.8
106.06515	2.0
107.03663	7.9
111.02933	0.8
113.02332	4.3
119.00475	1.0
119.03408	1.2
119.35000	0.8
120.04477	1.6
120.08109	2.6
122.06044	52.7
122.18936	0.9
123.04404	0.9
123.06359	2.2
131.03377	1.4
132.04482	1.9
134.06049	8.4
136.07646	2.2
139.02713	3.5
150.05515	1.6
152.07120	83.9
153.07452	2.9
160.04028	1.8
161.04582	1.8
173.04532	4.8
176.03499	1.0
190.05116	3.5
191.05594	2.8
200.03592	1.2
211.08865	2.1
213.10260	1.8
215.11920	3.7
220.68463	1.0
221.06636	1.0
223.08778	2.0
224.09642	2.0
225.10295	2.8
227.11882	1.3
236.05904	1.2
236.09650	1.0
237.06689	2.5
237.10405	2.8
238.11160	1.6
239.11987	2.5
241.13472	2.4
249.10478	1.3
251.08284	3.7
251.11777	1.3
253.10088	1.0
253.13385	1.3
263.08432	2.5
264.09119	2.5
265.09888	4.7
267.11462	2.5
269.13055	1.2
277.09918	2.1
279.11264	4.4
280.12149	1.6
281.13052	1.1
283.11081	2.7
285.12497	2.7
287.14160	2.9
291.07892	1.0
291.11340	1.6
295.10931	2.2
296.11469	1.2
297.12613	1.0
305.09183	1.6
307.11038	3.2
309.08911	1.2
313.12057	1.5
318.16071	1.1
319.10904	1.1
323.10361	2.8
325.11963	2.2
328.10892	1.1
339.13525	3.8
340.14429	1.0
342.12421	1.2
342.16248	2.1
344.14139	2.4
345.14969	1.6
346.15637	1.5
355.12988	3.2
356.13959	1.1
358.11932	1.5
358.15805	1.3
359.16678	1.9
360.17322	4.6
371.12717	1.3
372.13400	2.3
373.14258	1.8
374.15189	1.1
384.13382	1.0
384.17554	1.1
386.15106	6.9
387.16010	1.8
400.16656	2.9
402.18527	5.0
404.15970	1.3
414.18600	1.1
416.16107	1.3
428.16098	5.5
430.18152	1.3
440.16235	2.2
444.19412	1.8
448.18808	3.3
459.18091	3.3
460.18961	10.0
461.19537	1.8
470.17371	1.1
472.18835	3.7
488.18048	1.6
490.20993	1.1
503.20892	1.1
504.21756	4.4
525.25250	1.9
551.22906	2.6
552.23969	1.4
567.25757	4.7
568.26111	1.3
571.25482	1.6
593.24194	7.0
597.27502	1.3
611.25128	13.4
612.25403	2.1
625.26862	100.0
626.27112	18.7
643.27905	64.2
644.28119	13.4
653.26837	1.4
654.26184	1.0
667.28168	2.0
685.28986	39.6
686.29266	8.2
713.28516	2.2
715.30157	6.0
716.30658	1.3
745.31079	18.7
746.31793	4.5
773.30237	2.3
787.32300	1.3
805.33923	1.4
806.34052	1.2
847.34265	7.3
848.34369	1.7
859.33557	1.1
905.33588	3.1
937.38110	1.6
938.37732	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	926.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87045	6.3
71.01270	8.7
78.95800	2.3
85.02853	4.4
88.98736	3.0
93.03376	2.3
96.95918	3.9
99.92815	2.0
101.02380	3.1
107.03667	3.0
113.02354	4.4
116.92743	2.4
122.06042	33.9
125.02316	2.2
134.03781	2.3
134.06017	7.4
139.02629	2.6
146.43486	1.9
150.05522	2.3
152.07120	56.8
153.07472	2.8
161.02419	2.6
173.04517	4.8
175.04015	3.2
191.05519	2.2
193.04970	2.3
208.65416	1.8
209.11931	2.3
213.79219	1.8
215.11842	2.4
223.08919	3.4
224.09465	2.6
225.10217	1.9
241.85854	2.0
251.08205	5.7
265.09854	2.2
279.11475	3.3
283.10931	2.9
290.22632	1.9
339.13785	3.1
344.13846	2.2
385.14667	2.6
386.15140	3.5
412.17105	2.5
440.16650	3.1
441.33157	2.0
448.18857	2.9
460.18845	5.3
504.21506	4.0
593.24011	5.9
625.26813	100.0
626.26965	24.7
643.28040	2.2
648.86157	2.5
828.42517	2.1
831.34399	2.9
863.37439	85.6
864.37769	23.3
926.37848	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	926.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01274	1.7
71.59312	0.4
71.59681	0.5
77.26157	0.4
78.29375	0.4
80.04942	0.8
85.02837	0.7
90.99895	0.4
94.06535	2.2
96.95920	1.2
98.09047	0.4
101.02366	0.9
104.04945	0.7
106.06540	1.5
107.03683	8.6
108.04521	0.5
113.02430	0.4
117.92738	0.4
120.04453	1.5
120.08118	1.2
121.05214	0.6
122.02436	0.8
122.06039	45.5
123.03184	7.1
123.06374	1.7
124.07585	0.7
132.04501	0.9
134.06058	8.3
135.04469	0.6
136.07631	1.3
138.05544	40.6
139.02702	4.0
139.05882	1.6
145.02899	0.5
148.07672	0.4
150.05562	1.9
152.07114	62.4
153.07494	2.2
160.01617	0.6
160.03992	1.3
166.05092	1.0
173.04578	0.8
175.04024	0.4
180.06696	0.6
190.05087	1.5
191.05565	0.6
193.04984	0.6
200.09598	0.5
206.09174	0.4
209.07289	0.5
210.07976	0.7
211.08800	2.0
213.10323	1.0
215.11873	2.3
218.04674	0.4
223.08842	2.0
224.09528	1.4
225.10265	2.4
235.08780	0.7
236.05896	1.2
236.09610	0.5
237.06763	2.9
237.10355	1.5
239.08247	0.5
239.11963	1.7
241.13678	0.6
245.13321	0.4
247.07549	0.6
249.06685	0.7
249.10443	1.1
250.07428	2.0
251.08286	5.1
251.12097	1.1
252.08949	0.9
253.09935	0.6
261.10425	0.6
263.08112	1.5
263.12021	0.6
264.09122	1.5
265.09897	3.1
266.10434	0.6
267.11496	0.6
269.13068	0.7
276.08945	0.7
277.09921	1.1
278.10587	1.1
279.11478	1.8
280.12149	0.5
281.13046	0.8
283.10965	2.7
284.11276	0.4
285.12704	0.5
287.14206	0.6
291.07275	1.2
291.11362	0.5
292.08481	0.6
295.10760	0.5
305.09286	1.3
307.10858	2.0
314.13260	0.5
316.11130	0.6
318.16669	0.5
319.10965	1.1
323.10333	0.9
325.11975	0.9
328.11026	1.2
329.11719	0.8
330.12479	1.2
331.13464	0.8
332.14182	0.9
339.13571	3.2
342.12421	1.0
342.16119	0.6
344.14117	1.9
344.18091	0.5
345.14847	1.1
346.15674	2.9
355.13074	1.7
356.10297	0.5
356.14221	1.0
357.14865	0.6
358.11975	1.3
358.15707	1.7
359.16733	1.0
360.17261	1.7
369.14621	0.4
370.11917	0.9
371.12769	1.1
372.13449	2.5
372.17465	0.7
373.14362	1.5
374.15207	1.5
384.13370	1.1
384.17477	1.1
385.14395	1.3
386.15155	4.3
387.15689	0.9
388.16806	0.6
396.17551	0.5
398.15280	1.1
400.16934	0.9
402.14551	0.8
404.16214	0.8
406.17712	0.5
412.16791	1.3
416.15955	0.8
417.16940	0.8
418.18042	0.6
428.15671	2.6
440.16324	1.2
448.18890	1.5
459.18018	1.5
460.18637	4.9
461.18973	0.8
465.19040	0.5
472.18655	1.2
483.24194	0.5
502.20010	1.4
503.20630	0.6
504.21414	3.5
510.23160	0.6
511.23322	0.7
521.11224	0.7
523.19775	0.8
525.25305	1.0
549.25281	1.2
551.23297	2.7
552.23627	1.1
570.24884	2.3
571.25580	2.8
575.23389	0.7
593.24261	10.1
594.24329	1.8
597.27454	0.9
598.28021	0.6
625.26801	100.0
626.27167	18.3
771.29669	0.5
787.33594	0.6
852.34772	0.6
853.34564	0.8
890.49036	0.6
894.35956	4.4
895.36066	1.2
926.38519	20.3
927.38611	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	925.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	0.7
71.01274	6.8
72.99184	1.0
73.02835	1.6
76.41979	0.4
79.05400	0.4
80.04954	1.8
83.01288	1.0
85.02855	2.7
87.00759	0.5
89.02343	3.2
92.04950	0.7
93.03361	1.4
94.06516	3.5
95.01280	1.0
96.95924	0.8
99.00827	0.6
101.02328	3.1
102.44024	0.5
104.04970	1.1
106.06516	2.9
106.22746	0.4
107.03671	13.4
107.04378	0.9
113.02344	2.3
117.70937	0.4
119.03426	1.0
119.04932	4.8
120.04485	1.4
120.08096	1.9
121.05244	0.7
122.06036	70.0
123.06345	2.1
124.07612	1.1
132.04482	2.0
134.06053	15.0
135.06412	0.5
136.07602	1.9
137.02354	0.6
137.05992	1.4
139.02699	4.9
148.03960	1.0
148.07553	0.6
150.05533	3.0
152.07112	100.0
153.07474	4.0
158.02396	0.5
160.01772	0.4
160.03967	1.8
160.34853	0.4
161.02359	0.4
161.04785	0.8
162.05568	0.8
164.07123	0.9
166.05092	1.2
173.04626	0.5
174.01820	0.4
174.05531	1.0
174.09065	0.5
185.00847	0.4
186.05621	0.5
190.05013	3.4
191.05524	0.7
191.93336	0.4
192.06627	0.7
197.07236	0.4
200.09445	1.1
209.07123	0.9
209.11757	0.5
210.07927	1.4
211.08755	3.5
212.05945	0.7
213.10323	1.9
215.11900	5.0
221.10832	0.7
223.08763	3.6
224.09558	3.2
225.10353	4.3
227.11957	1.7
235.08939	0.8
235.12309	0.5
236.05945	1.4
236.09554	0.6
237.06758	4.7
237.10297	3.2
238.07422	1.3
238.11124	0.9
239.08464	0.7
239.11844	1.6
241.13509	1.7
245.13071	0.5
248.09705	0.5
249.06721	1.1
249.10391	1.8
250.07330	2.1
250.11137	0.5
251.05801	0.3
251.08250	7.7
251.11993	1.7
252.08893	1.7
253.09827	1.1
261.10358	1.1
262.11066	0.6
263.08322	3.4
263.11859	1.2
264.09106	3.8
265.09851	7.6
266.10352	0.8
267.11539	2.5
269.12994	2.9
271.10944	0.8
276.09079	0.9
277.09814	3.3
278.10690	1.1
279.08438	0.6
279.11426	3.8
280.12042	0.5
281.12927	0.9
283.10919	3.2
284.11398	0.6
285.12473	1.4
287.14001	2.2
291.07773	1.6
291.11240	0.8
292.08609	0.6
292.12097	0.5
293.09210	1.4
293.13037	0.4
295.10999	2.0
295.14096	0.4
296.11496	0.5
297.12491	1.0
299.14035	0.6
302.12701	0.5
304.08469	0.6
305.09268	2.3
305.12485	0.5
306.10052	1.2
306.16013	1.2
307.11014	2.7
315.10089	0.4
316.11148	0.6
316.14673	0.5
318.16144	1.8
319.10834	1.2
321.12558	1.0
323.10327	2.0
325.12015	2.0
326.12665	0.5
328.11099	1.0
329.15298	0.8
330.12460	1.5
330.15924	0.9
331.13391	1.2
332.14063	1.0
337.12003	1.3
339.09946	0.6
339.13638	3.5
340.14362	0.5
341.11688	1.0
342.12744	2.0
342.16132	2.2
343.13409	1.3
344.10574	0.5
344.14117	3.1
345.14822	2.6
346.15634	5.3
347.16113	1.0
348.17184	0.5
355.13031	6.3
356.10123	1.0
356.13983	1.7
358.11850	2.2
358.15775	3.0
358.19366	0.6
359.12390	0.5
359.16364	1.3
360.17249	3.3
370.12027	1.8
370.16046	0.6
371.12662	1.5
372.13544	4.1
372.17447	0.9
373.14285	2.4
374.15112	2.0
374.19174	0.5
382.11816	0.6
384.13431	1.4
384.17874	2.0
385.13959	2.5
386.15054	7.8
386.19000	0.6
387.15604	1.5
388.16623	0.9
389.17343	0.9
390.18121	0.5
398.15100	1.8
399.15985	1.1
400.16571	2.7
401.17526	0.6
402.14447	1.5
402.18759	1.0
404.16077	0.9
406.17758	0.6
412.12259	0.6
412.16724	1.4
414.18500	1.0
416.16260	1.6
417.16980	1.4
418.17886	0.7
426.18518	0.8
428.15997	4.3
428.20367	0.4
429.16663	0.8
430.17795	1.5
440.15906	2.1
443.18359	0.8
448.18945	2.6
449.19653	0.7
456.15817	0.7
459.17874	2.3
460.18887	6.6
461.19409	0.9
470.17340	0.7
471.17999	1.3
472.18643	1.7
483.24008	0.7
502.19873	1.7
503.20377	0.9
504.21292	3.2
505.22180	0.4
511.23581	2.1
523.20172	1.9
525.25146	0.7
537.21625	0.6
538.22235	0.7
539.22742	0.8
549.24982	0.8
551.23340	2.7
552.23950	1.1
565.24695	0.7
569.25055	4.8
570.25397	1.9
571.25708	5.4
572.25867	0.8
575.22363	0.7
593.24237	21.8
594.24451	3.4
597.27142	0.7
611.25354	2.1
625.26788	94.9
626.27039	17.7
643.27710	1.9
644.28058	0.5
653.27466	0.6
729.29480	1.2
730.29919	1.3
755.29498	1.1
770.29810	1.4
771.29456	0.8
771.45575	0.4
787.32263	1.1
788.32794	0.8
802.32367	1.5
803.32629	0.8
804.33728	0.6
825.37598	1.1
851.34955	4.8
852.35773	5.2
853.35931	1.1
893.36310	13.2
894.36670	4.1
913.00513	0.5
925.38953	37.8
926.39038	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	921.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.4
71.01269	11.8
73.02841	1.1
75.00705	0.9
77.14665	1.0
78.95793	1.1
80.22644	0.9
83.01251	1.0
83.04890	1.1
85.02828	3.2
86.46243	1.0
87.00780	5.1
89.02345	6.9
96.95925	2.6
97.02847	7.9
97.06480	1.9
99.00780	16.7
99.92496	1.8
101.02338	8.0
109.02878	0.9
110.03662	1.2
111.50782	0.9
113.02377	4.7
116.92754	8.9
117.37067	0.9
119.03423	1.6
125.02365	5.7
125.09636	5.4
136.05223	2.0
142.02602	2.9
143.03362	1.8
143.06110	1.0
152.79967	0.9
163.11201	6.4
181.12296	16.1
199.13382	2.0
207.10255	41.6
208.10706	1.6
225.11331	60.7
226.11469	2.1
235.08255	2.7
243.12416	21.3
255.23338	50.6
256.23645	4.8
379.12436	1.7
381.29794	1.1
397.13623	7.1
498.34518	1.0
506.41971	1.1
605.24664	17.0
606.25177	2.1
606.37628	1.0
623.25696	6.7
624.25372	1.3
653.37622	1.0
861.48724	100.0
862.48932	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	923.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	8.0
71.43466	0.3
71.58561	0.4
72.99209	0.6
73.02832	1.9
75.00792	0.3
75.65579	0.3
78.22998	0.3
78.95816	0.3
80.04945	1.1
83.01284	0.8
85.02848	3.3
87.00799	0.7
87.92422	0.3
89.02338	4.9
94.06521	3.1
95.01281	0.8
96.95903	0.9
99.00791	0.4
101.02341	4.6
104.04971	0.7
106.06531	1.8
107.03677	8.7
113.02370	2.5
116.92773	4.1
117.05502	0.7
119.03431	1.8
120.04476	1.6
120.08108	1.6
121.05263	0.4
122.06036	49.0
123.06364	1.4
124.07587	0.6
125.02387	0.3
125.95426	0.3
129.59013	0.3
131.03468	0.3
132.04477	1.2
133.04889	0.3
134.06047	10.5
135.06544	3.1
136.07611	1.1
139.02672	3.5
143.03442	0.3
146.06015	0.5
148.03998	0.5
150.05608	1.8
152.07114	73.5
153.07481	3.4
158.02444	0.3
158.06030	0.3
160.03986	1.2
160.07668	0.3
161.04565	1.0
162.05582	0.5
164.07072	0.5
166.05005	0.7
173.04543	0.7
174.05557	0.7
176.07146	0.4
179.05620	0.4
185.10684	0.3
186.05612	0.7
190.05064	2.4
191.05583	0.6
200.03458	0.5
200.09601	0.5
209.07016	0.7
210.05956	0.3
210.07893	0.8
211.08791	2.1
213.10396	1.7
215.11890	2.9
216.12158	0.4
221.10815	0.5
223.08716	2.1
224.09531	2.2
225.06651	0.3
225.10335	2.8
227.11928	1.2
235.08780	0.4
235.12640	0.4
236.05911	1.1
236.09618	0.6
237.06682	3.4
237.10356	1.8
238.07387	0.8
238.11133	0.4
239.08203	0.3
239.11948	1.6
241.13475	1.0
243.15157	0.5
245.12936	0.5
248.09476	0.4
249.06689	0.9
249.10410	1.0
250.07442	1.6
250.11188	0.5
251.08275	4.7
251.11926	1.2
252.08899	1.6
253.09781	0.8
261.10294	0.9
263.08334	2.1
263.12088	0.8
264.09045	1.9
265.09827	5.1
266.10529	0.5
267.11432	0.9
268.08554	0.4
269.10052	0.4
269.13062	1.1
271.10825	0.4
274.52057	0.3
276.09192	0.7
277.09854	2.0
278.10669	0.8
279.08264	0.4
279.11414	2.6
280.11981	0.7
281.13086	0.5
283.10904	3.2
284.11609	0.3
285.12592	0.9
287.14136	0.9
289.09909	0.5
291.07669	1.0
291.11536	1.2
292.08783	0.6
292.12094	0.3
293.09421	0.6
293.12863	0.5
295.10916	1.1
295.14291	0.3
296.11493	0.5
297.12241	2.3
305.09418	1.8
306.10101	0.5
307.10934	2.1
308.11176	0.3
313.12433	0.4
318.16193	0.5
319.10919	1.2
321.12598	0.4
323.10416	0.9
324.11227	0.4
325.11996	1.3
326.12909	0.4
328.10779	0.9
328.14328	0.4
329.11627	0.5
329.15125	0.8
330.12711	1.5
330.16095	0.5
331.13242	0.8
332.14090	1.0
337.11957	0.7
339.13632	3.8
340.14200	0.6
342.12521	1.0
342.16278	1.1
344.14206	2.3
345.14743	1.2
346.15613	2.8
347.16156	0.4
351.13211	0.4
354.12601	0.5
355.13174	1.7
356.10251	0.5
356.14139	0.6
357.14951	0.5
358.12009	1.5
358.15799	2.2
359.16425	1.1
360.17300	3.3
365.11469	0.3
370.12051	1.4
370.16031	0.6
371.12576	1.2
372.13403	2.5
372.17419	1.1
373.14453	1.3
374.15103	1.3
376.16428	0.3
384.13342	0.8
384.17560	1.7
385.14166	1.5
386.15079	5.8
387.15610	1.2
388.16678	0.7
390.18390	0.5
398.14847	1.4
399.15915	0.9
400.16748	1.9
401.17404	0.7
402.14499	1.3
404.16150	0.8
405.16971	0.4
406.17737	0.5
410.15402	0.4
412.12729	0.9
412.17044	1.0
414.18527	0.8
416.16354	1.1
417.16971	0.9
427.15448	0.5
428.16248	3.9
429.16479	0.5
430.17740	1.3
440.16260	2.2
441.17136	0.5
443.19089	0.4
448.18829	2.2
456.15854	0.6
458.17307	0.4
459.17920	2.0
460.18936	7.4
461.19388	0.7
470.17126	0.6
471.18021	0.6
471.24069	0.6
472.18842	2.1
488.18558	0.3
490.19510	0.6
502.20062	1.8
503.20706	1.3
504.21368	3.5
505.21722	0.5
510.22827	0.7
511.23752	0.9
523.20123	1.0
525.25317	1.0
537.21643	0.4
538.22583	0.7
539.22791	0.5
547.24066	0.4
549.25018	0.6
551.23254	1.7
552.23682	1.2
565.24536	0.5
566.25598	0.4
567.25690	2.1
570.25421	0.5
571.25867	3.1
572.25891	0.5
583.25696	0.5
593.24261	9.9
594.24585	1.5
597.27600	0.9
611.25427	1.1
625.26788	100.0
626.27155	19.3
626.37793	0.6
627.26715	0.6
643.27673	2.7
644.28271	0.5
727.29889	0.7
728.30939	0.6
770.32050	0.4
800.33124	0.7
801.33167	0.4
823.38141	0.5
849.35370	1.8
850.36456	0.9
851.36115	0.4
891.36847	5.8
892.37872	1.6
923.39465	28.3
924.39697	7.1
955.83698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99695	1.4
69.03339	1.6
69.58717	1.6
69.59119	5.0
71.01266	100.0
72.01588	1.7
72.99197	2.1
73.02833	4.9
81.03345	1.2
82.05856	0.8
83.01273	2.3
83.04926	1.3
85.02842	6.6
87.00782	6.1
89.02336	16.3
95.01258	1.3
96.95906	8.2
97.02851	4.6
99.00783	3.5
101.02338	17.0
109.06494	8.9
111.00719	1.0
113.02348	10.9
113.56026	0.7
119.03419	5.0
125.02368	5.9
125.09633	3.1
127.11169	3.6
130.73177	1.0
135.07990	0.8
137.02403	0.8
137.09666	1.0
139.03899	1.0
143.03423	3.0
153.09126	1.1
155.10696	2.0
161.04532	4.3
163.11253	5.9
171.10216	58.3
172.10490	1.9
179.05557	6.2
181.08725	1.0
181.12285	3.2
186.43825	0.9
189.09061	1.0
199.09741	13.0
199.13358	1.8
199.16266	0.9
201.11296	22.4
202.11607	1.3
207.10248	26.9
208.10440	1.5
209.11794	0.9
211.13365	3.0
221.06645	3.1
225.11319	20.9
226.11662	1.5
235.08218	5.7
243.12343	3.7
245.06570	0.9
253.09259	2.5
263.07855	1.5
277.21774	53.0
278.22040	5.4
287.07703	1.6
291.19656	0.9
305.09024	1.4
323.09680	1.4
352.88181	0.8
379.12518	6.3
390.92001	0.8
397.08401	1.8
397.13593	36.5
398.13754	2.5
415.14658	10.0
534.20654	0.9
579.23450	1.7
597.23938	2.5
605.24445	2.0
623.25500	4.5
857.45935	5.0
883.47003	14.3
884.47760	4.1
901.47760	3.4
919.49402	17.3
920.48798	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	921.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.8
71.01270	7.4
71.29746	0.7
72.99224	0.5
73.02824	2.1
74.22378	0.3
75.00768	0.5
78.01449	0.4
80.04948	1.2
83.01270	0.6
85.02843	8.5
85.99995	0.5
87.00773	2.0
89.02328	2.0
93.03359	0.4
94.06515	2.9
95.01293	0.9
96.95914	1.2
97.02881	0.5
99.00796	0.6
101.02361	3.3
104.04999	0.8
106.06545	1.8
107.03678	8.4
113.02327	2.2
114.93330	0.7
115.03923	0.5
120.04471	1.3
120.08122	1.3
121.05229	0.6
122.06038	44.2
123.06387	1.4
124.07601	1.0
131.03474	1.3
132.04483	1.4
134.06046	9.4
135.06485	0.4
136.07610	1.2
139.02675	2.9
143.03368	0.4
146.06033	0.5
150.05551	2.1
152.07112	69.2
153.07452	2.2
160.01620	0.4
160.03952	1.3
161.04536	1.8
161.07184	0.4
162.05597	0.7
164.07132	0.5
166.05124	0.4
166.63205	0.3
166.98483	0.4
173.04520	1.1
174.05574	1.0
186.05547	0.6
190.05060	2.1
191.05502	0.4
209.07373	0.4
210.08035	0.8
211.08766	1.4
211.13329	0.5
212.05849	0.5
213.06812	0.4
213.10304	1.4
215.11894	3.3
221.06720	1.4
221.10797	0.5
223.08768	2.1
224.09499	1.7
225.10275	2.5
227.11974	0.7
235.08490	0.6
236.05911	0.7
236.09692	0.5
237.06721	2.5
237.10333	1.9
237.53612	0.4
238.07309	0.5
238.10991	0.9
239.11893	1.5
240.12164	0.4
241.13515	1.9
243.15051	0.6
245.13036	0.7
248.09682	0.4
249.06763	0.6
249.10506	1.3
250.07481	1.2
251.08244	5.0
251.11957	1.0
252.08870	1.0
253.09941	0.6
253.13469	0.4
261.10300	0.8
262.07516	0.6
263.08197	2.1
263.11877	0.8
264.09006	2.1
265.09866	4.5
267.11429	0.9
269.12952	1.0
276.09167	0.5
277.09869	1.5
278.10623	1.0
279.08450	0.5
279.11389	3.2
280.11987	0.6
281.09470	0.4
281.12976	1.2
283.10999	2.6
284.11191	0.4
285.12567	0.8
287.14084	1.5
290.10413	0.4
291.07782	1.2
291.11234	0.8
292.08521	0.8
293.12885	0.5
295.10986	1.1
297.12589	0.5
305.09506	1.7
305.12701	0.4
306.16165	0.4
307.10953	2.5
318.16238	0.4
323.10510	1.1
324.11264	0.6
325.12012	1.5
325.20401	0.4
328.11139	0.8
329.11667	0.4
329.15283	0.7
330.12531	1.1
331.13409	0.6
332.13876	0.7
337.12015	1.2
339.13632	3.2
340.10648	0.5
340.14233	0.5
342.12497	0.9
342.16177	1.0
343.13278	1.0
344.14084	2.0
345.14581	0.9
346.15579	2.7
347.16394	0.4
351.13577	0.6
353.11899	0.4
355.13144	2.0
356.10272	0.6
356.14197	0.8
357.10953	0.6
357.14816	0.4
358.11911	1.4
358.15732	1.6
358.19461	0.7
359.12436	0.4
359.16489	1.5
360.17206	2.9
365.11444	0.5
368.14230	0.5
370.12106	1.2
371.12772	1.2
372.13495	2.1
372.17319	0.8
373.14258	1.1
374.15036	1.6
376.16721	0.6
383.16837	0.5
384.13397	1.1
384.17682	2.1
385.14560	1.5
386.15042	4.4
386.19128	0.6
387.15637	0.9
388.16568	0.6
389.17188	0.6
396.17499	0.7
397.14597	0.7
398.15198	1.2
399.15851	1.0
400.16718	1.4
401.17413	0.6
402.14029	0.8
402.18915	1.6
403.18695	0.4
404.16092	0.5
412.12720	1.0
412.17361	0.6
414.18231	1.0
416.16339	0.8
417.17044	0.7
418.18024	0.7
427.15308	0.4
428.16092	3.6
429.16675	0.9
430.17505	1.0
440.16324	2.3
444.19293	0.6
448.18649	1.9
459.18085	1.7
460.18893	7.3
461.19308	0.4
471.17886	0.9
472.18939	2.0
474.19489	0.4
488.18723	0.4
490.19916	1.1
491.20605	0.9
502.19904	1.4
503.21216	1.1
504.21481	4.0
505.21933	0.5
508.24878	0.4
509.21872	0.5
511.23300	1.0
523.19897	0.7
525.25262	1.2
538.22235	1.1
549.24585	0.6
551.23267	1.9
552.23438	1.0
567.26184	1.1
570.24561	0.6
571.25940	2.6
572.26245	0.5
584.27020	0.4
593.24152	8.3
594.24420	2.0
597.26904	1.0
611.25366	4.9
612.25470	1.6
613.25934	0.5
625.26788	100.0
626.27100	17.2
643.27856	17.5
643.36481	0.3
644.28156	3.4
645.28693	0.4
667.28284	0.5
685.28979	9.2
686.29254	2.6
713.28101	0.5
715.29834	1.5
724.27356	0.7
745.30994	3.7
746.31079	0.8
773.30280	1.0
774.31348	0.7
787.33386	0.7
805.33447	0.5
815.31342	1.5
816.31500	0.6
847.34198	16.8
848.34631	3.8
861.35638	2.1
889.34924	3.4
890.35645	0.8
921.37671	6.0
922.38000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	0.8
69.03342	1.4
70.23441	2.1
71.01271	100.0
72.01625	1.5
72.99200	2.1
73.02841	4.8
75.00760	0.5
78.95782	0.5
79.50936	0.4
80.96407	0.5
81.03349	1.4
82.66109	0.4
83.01278	2.7
83.04907	0.8
85.02848	6.4
85.61760	0.4
87.00770	5.4
89.02340	16.6
95.01269	2.4
96.95931	0.8
97.02857	5.1
99.00790	3.0
101.02351	16.6
109.06504	7.4
113.01624	0.9
113.02361	11.3
119.03410	4.0
121.02848	1.0
122.15002	0.5
124.01590	0.6
125.02375	7.6
125.05984	0.9
125.09665	2.7
127.11236	3.1
131.03392	0.8
133.05022	0.7
135.08073	0.9
137.02393	0.6
137.09654	1.1
139.03926	0.5
141.01865	1.2
142.02541	0.6
143.03453	3.1
145.05110	0.5
149.04518	0.7
151.06390	0.6
152.07112	1.3
153.09140	0.7
155.10709	1.8
161.04526	5.5
161.09682	0.7
163.11185	4.8
167.03404	0.6
171.10225	58.8
172.10558	2.7
179.05583	6.3
179.10704	0.7
181.08681	1.2
181.12288	2.6
183.13800	0.7
185.11768	1.2
189.09213	0.7
199.08162	0.3
199.09727	14.3
199.13380	1.6
201.11307	22.6
202.11688	1.4
207.10240	23.4
208.10555	1.2
209.11792	0.9
211.13405	8.2
212.13667	2.6
215.12917	1.0
217.07182	0.7
217.10727	1.0
221.06665	3.2
225.11324	18.4
226.11575	1.0
235.08191	5.1
243.12379	3.7
253.09184	2.2
263.07745	0.7
277.21783	61.0
278.22116	7.3
287.07776	1.3
299.15274	0.5
305.08923	2.5
323.09964	1.1
379.12595	6.5
397.13586	33.4
398.14072	2.6
415.09183	0.8
415.14621	10.3
416.15070	1.0
441.30228	1.0
447.21948	0.9
448.22849	0.5
463.51868	0.5
569.24609	1.3
579.23053	1.6
597.24554	2.9
605.24628	1.8
623.25690	4.5
624.25891	0.9
641.27271	0.5
675.36389	0.9
708.44568	1.3
821.69366	0.6
857.45282	2.5
858.45880	1.1
883.47064	12.1
884.48193	4.7
901.47479	2.5
919.49469	13.9
920.50482	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	919.493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	2.2
69.35072	3.6
69.35500	4.3
71.01269	100.0
72.01602	1.5
72.99184	1.2
73.02831	2.5
77.03787	0.7
78.95782	1.3
81.03348	1.0
82.78877	0.8
83.01274	2.3
83.04917	0.9
85.02839	5.4
87.00773	6.6
89.01823	1.5
89.02332	16.3
95.01290	1.4
96.95885	1.5
97.02839	4.6
99.00775	2.9
99.52923	0.9
101.02355	14.4
109.06485	5.7
111.04483	0.8
113.02355	9.7
119.03398	3.9
121.02863	1.5
121.06506	1.0
125.02337	6.1
125.09582	2.4
127.11206	3.3
135.08022	1.4
135.68030	0.8
137.09639	0.9
139.03873	0.8
143.03421	2.6
152.07198	0.7
155.10745	1.3
161.04521	2.8
163.11261	4.6
169.29796	0.8
171.10222	61.9
172.10583	1.6
179.05618	4.2
181.12292	2.2
199.09715	9.8
199.13411	1.7
201.11307	14.1
207.10245	18.6
211.13358	6.1
212.13774	1.0
221.06619	1.6
225.11334	14.9
226.11572	1.1
235.08264	5.2
238.80721	0.9
243.12355	1.8
253.09270	1.6
277.21780	57.7
278.22076	7.0
287.07800	2.0
305.08804	2.2
379.12674	6.7
384.22894	0.9
397.13556	30.7
398.13861	2.9
415.14706	9.3
569.24878	1.0
597.23657	1.6
605.24573	0.9
623.25488	3.5
848.12988	1.0
857.45313	2.3
883.47260	7.2
884.47736	2.9
901.48212	1.2
919.49188	9.9
920.48779	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	915.427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	0.4
69.94241	0.2
71.01266	0.3
71.58156	0.5
73.29502	0.2
81.38335	0.2
83.01282	0.4
92.09901	0.2
107.01304	0.9
108.02106	0.3
109.02853	0.4
113.02266	0.2
115.55891	0.2
121.02838	0.4
125.02337	0.5
133.02751	0.3
135.00844	0.4
151.00311	3.9
153.01909	0.3
161.02428	0.3
163.00351	1.3
163.04015	0.2
169.01328	0.3
173.04488	0.8
174.03268	0.3
178.99808	3.0
180.48085	0.2
190.02713	0.5
191.03439	0.3
191.05600	0.6
193.01379	0.3
198.03304	0.3
199.04044	0.4
203.03468	0.4
208.67795	0.2
216.04269	0.4
221.00905	0.3
226.02744	3.4
227.03462	1.7
228.04185	0.3
243.03000	8.3
244.03421	0.4
254.02240	4.0
255.03029	5.4
256.03467	0.5
271.02539	40.7
272.03043	3.6
273.03839	0.3
299.02020	1.5
300.02826	55.2
301.03497	15.1
302.03876	0.7
343.04590	0.9
362.14883	0.2
418.90021	0.2
462.07834	0.7
463.08929	100.0
464.09271	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	911.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	3.5
70.98386	0.9
71.01273	88.3
72.01616	1.2
72.99207	3.9
73.02839	80.3
74.03175	1.3
75.00761	1.6
81.03370	1.1
82.29073	0.4
83.01283	31.1
84.01615	0.7
85.02847	15.1
87.00782	2.9
89.02341	23.9
92.38794	0.4
93.03358	0.4
95.01287	5.9
96.95930	0.7
97.02880	1.8
99.00797	1.5
99.04420	1.0
101.02351	100.0
102.02664	1.5
111.00780	0.5
113.02361	54.2
114.02697	1.4
117.01890	0.5
119.03425	16.6
121.06517	2.0
125.02366	4.7
127.03968	0.4
131.03433	11.6
135.04459	0.3
137.09657	23.1
138.10030	1.1
139.00302	0.4
143.03444	15.9
147.02939	1.6
149.04503	29.2
149.09682	0.9
150.04817	0.9
155.03441	3.5
161.04510	51.1
162.04871	1.2
173.04539	1.0
179.05605	2.6
187.11124	0.4
189.12834	6.4
190.13257	0.4
191.05605	1.1
203.05585	8.0
207.13895	1.6
221.06677	21.5
222.07028	0.8
249.11514	0.4
316.19803	0.4
351.18130	1.0
369.19348	0.9
371.54990	0.4
411.20370	13.2
412.20776	1.3
667.19281	0.3
697.19800	0.3
728.17773	0.4
774.59839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59379	0.2
69.03320	0.3
69.26436	2.5
71.01272	1.1
73.02827	0.5
83.01275	0.3
85.02849	0.5
87.00775	0.6
88.98717	0.3
89.03867	0.3
96.95928	0.6
99.94591	0.2
101.02348	0.6
108.02068	0.4
113.02338	0.4
117.03378	0.8
122.06078	0.4
123.04395	0.3
132.02095	29.5
133.02795	1.7
134.03665	12.6
135.04388	1.0
137.02373	0.3
145.02873	0.4
146.03665	0.2
149.06000	2.1
158.03764	0.2
159.04446	0.5
160.01604	100.0
161.02086	5.2
162.02943	0.2
173.04483	0.4
175.03958	99.3
176.04294	4.9
178.02646	1.7
179.03435	1.0
187.03918	0.5
188.04808	0.3
191.07097	0.4
193.05042	8.4
194.05345	0.6
200.04654	0.2
217.05040	0.9
247.06140	0.6
265.07321	0.5
268.14481	0.2
319.08020	0.3
337.09189	0.3
386.14655	0.3
513.14136	1.9
514.14575	0.3
541.15576	1.7
559.16614	1.9
675.19958	0.4
717.20325	3.4
718.20996	0.8
735.21527	12.8
736.21997	2.9
911.26312	9.0
912.26593	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	909.38
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	7.4
71.07011	0.7
72.99218	0.6
73.02827	1.5
73.03490	0.3
80.04952	1.1
83.01289	1.0
85.02846	2.6
87.00784	0.6
89.02339	4.1
92.04956	0.5
94.06525	2.8
95.01271	0.6
96.95923	0.3
98.62445	0.3
99.00771	0.7
101.02344	5.4
104.04962	0.5
106.06531	1.5
107.03680	6.7
109.02851	0.3
113.02378	2.4
119.03401	1.7
120.04479	1.1
120.08109	1.4
121.04987	4.4
122.06039	41.8
123.06356	1.5
124.07572	0.7
132.04478	1.1
134.06049	9.5
135.04417	0.3
136.07605	0.9
138.05420	0.3
139.02692	2.9
148.07584	0.3
150.05545	1.7
152.07115	63.6
153.07468	2.6
158.02417	0.4
158.06076	0.5
159.02919	0.3
160.03996	1.1
161.04567	0.9
161.07103	0.4
164.07140	0.3
166.04985	0.5
173.04622	0.8
174.05542	0.7
176.07065	0.3
179.05540	0.5
185.10822	0.3
186.05537	0.4
186.99268	0.3
190.05035	1.6
191.05565	0.5
193.05048	0.3
197.07249	0.3
200.03491	0.6
200.09523	0.5
209.07137	0.3
210.08002	0.8
211.08759	2.0
213.10364	1.4
215.11905	2.7
221.10942	0.3
223.08772	2.0
224.09547	1.9
225.10316	2.8
226.10818	0.4
227.11928	0.7
235.08702	0.5
236.05908	0.8
236.09509	0.5
237.06731	3.8
237.10255	1.5
237.14142	0.3
238.07256	0.3
238.11050	0.5
239.11960	1.7
241.09612	0.3
241.13478	0.9
245.12959	0.6
247.07759	0.4
248.09485	0.3
249.06665	0.6
249.10368	0.9
250.07362	1.8
251.08316	5.2
251.11942	0.9
252.08919	1.0
253.09859	0.8
253.13443	0.3
261.10339	0.8
263.08456	1.8
263.12009	0.6
264.09113	1.8
265.09842	4.6
266.10468	0.5
267.11441	0.6
269.09354	0.4
269.13068	1.0
271.11057	0.5
277.09872	1.8
278.10577	0.9
279.08713	0.4
279.11499	2.7
280.11978	0.5
281.09729	0.3
281.13037	0.7
283.10666	4.2
284.11359	0.4
285.12589	0.9
287.14093	1.5
290.10684	0.4
291.07458	0.9
291.11417	0.8
292.08762	0.3
292.12042	0.4
293.09335	0.6
293.12811	0.5
295.10980	1.2
297.12558	0.4
304.08502	0.3
305.09390	1.1
306.16220	0.5
307.11014	1.8
309.12466	0.5
313.11798	0.3
318.16080	0.4
319.10925	0.9
323.10452	0.9
324.11240	0.4
325.12070	0.9
328.11020	0.9
329.11707	0.3
330.12494	1.2
330.16168	0.5
331.13336	0.9
332.13965	1.1
337.12119	0.7
339.13620	3.7
342.12491	1.1
342.16180	1.1
343.13071	0.5
344.14066	1.7
345.14795	0.8
346.15668	2.3
351.13281	0.4
355.13199	2.0
356.10254	0.5
356.14111	0.9
357.10941	0.5
357.14957	0.7
358.11996	1.3
358.15808	1.8
359.12482	0.4
359.16428	1.4
360.17218	2.5
361.17642	0.4
370.11957	1.0
371.12698	1.0
372.13510	2.1
372.17450	0.8
373.14313	1.2
374.15073	1.5
383.16309	0.5
384.12860	1.4
384.18048	1.5
385.14114	1.4
386.15112	4.6
387.15677	1.1
388.16635	0.6
389.17715	0.3
398.15149	1.0
399.15863	0.9
400.16672	1.4
401.17456	0.5
402.14502	1.0
402.18500	0.9
403.15027	0.4
404.16296	0.8
405.16919	0.5
406.17746	0.5
412.12778	0.8
412.17572	0.6
413.17612	0.4
414.18192	0.8
416.16116	1.4
417.17004	0.7
418.17874	0.4
426.18878	0.4
428.16058	3.1
428.20447	0.3
429.16614	0.6
430.17834	1.4
434.17355	0.5
440.16150	1.9
441.16504	0.4
443.18558	0.5
444.19461	0.4
448.18979	1.7
449.19611	0.4
456.15753	0.3
459.18182	1.8
460.18890	6.1
461.19333	0.9
471.17932	0.4
472.18839	1.6
495.20587	0.5
502.19992	1.8
503.20520	1.4
504.21542	3.7
510.22818	0.6
511.23550	0.8
523.20294	0.9
525.24689	0.6
529.55597	0.3
538.21729	0.7
539.23236	0.6
549.25507	0.9
551.23138	2.2
552.23694	1.0
553.24213	1.9
565.25049	0.4
570.24945	0.8
571.25653	2.9
575.22986	0.3
593.24225	10.2
594.24945	1.3
597.26917	0.8
611.25037	1.1
625.26788	100.0
626.27112	18.2
626.37817	0.4
643.28143	1.8
644.28064	0.5
659.00024	0.3
714.28583	0.8
756.29590	0.5
786.31293	0.8
787.31842	0.6
788.33466	0.3
809.36377	0.3
835.34027	1.6
836.34619	1.7
877.35626	6.3
878.35986	1.8
909.37982	25.7
910.38379	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	901.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64699	0.4
69.03346	1.7
71.01270	17.6
71.04908	2.2
71.14338	0.7
71.14673	0.5
72.99191	1.2
73.02831	3.0
78.95799	0.5
80.96389	0.4
81.03333	0.9
83.01262	2.0
83.04915	0.7
85.02844	4.1
87.00772	3.3
89.02332	10.9
95.01252	1.0
95.04932	1.1
97.02846	6.0
97.06493	1.4
99.00777	12.4
99.01429	0.6
101.02340	10.6
103.11622	0.3
105.65727	0.4
109.06516	1.5
110.03638	0.9
111.00780	0.5
111.04432	0.6
113.02344	5.1
116.19460	0.4
116.92735	0.8
119.03435	2.2
123.08082	0.7
125.02360	3.2
125.09650	4.3
127.11227	1.5
131.03412	1.0
133.04877	0.3
135.08076	1.1
136.05179	0.6
141.01657	1.4
142.02658	1.1
143.03409	1.1
144.04018	0.4
161.04465	1.7
163.11226	8.2
171.10210	5.2
179.05591	1.6
179.10785	0.6
181.12300	16.5
182.12633	0.5
189.09238	0.7
197.11847	1.9
199.13383	16.2
200.13745	1.1
201.11382	2.4
207.10249	35.1
208.10532	2.4
217.07263	0.4
221.06657	4.0
223.09798	0.6
225.11320	54.4
226.11650	3.4
230.15657	0.5
235.08269	1.2
243.12401	18.1
244.12762	1.1
253.09445	0.7
270.34558	0.5
277.21771	27.7
278.22198	2.8
295.22864	0.6
379.12515	1.2
397.13531	6.5
415.14679	1.6
499.15320	0.4
580.44495	0.5
605.24927	2.8
623.25726	5.8
624.25690	0.8
641.26495	1.0
773.65833	0.6
883.46960	12.9
884.47070	2.1
901.48175	100.0
902.48499	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	907.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	0.5
69.57726	3.6
71.01263	6.9
73.02838	2.9
80.04951	1.2
83.01308	1.2
83.04932	0.4
85.02859	2.8
87.00786	0.9
89.02334	2.4
93.03371	0.5
94.06535	2.5
95.01302	0.9
96.95923	2.4
98.95521	0.5
99.00783	0.6
101.02351	4.2
104.04969	0.6
106.06539	1.8
107.03675	8.3
108.04433	0.6
113.02328	3.0
119.03400	0.8
119.07078	1.1
120.04449	1.2
120.08111	0.7
122.06039	48.0
123.06384	1.9
124.07592	0.7
132.04482	0.8
134.06044	9.7
136.07686	0.9
139.02689	3.3
148.04030	0.6
149.60553	0.5
150.05566	1.9
152.07117	74.6
153.07474	2.8
160.04034	1.0
161.02420	0.5
161.04619	1.5
162.05568	0.5
164.07170	0.7
166.05028	0.8
173.04617	0.9
174.05562	0.7
186.05577	0.6
190.05066	1.5
191.05650	1.0
210.07924	0.7
211.08795	2.0
213.10368	1.2
215.11870	3.0
221.10800	0.6
223.08771	2.0
224.09525	1.5
225.10335	2.6
227.11908	0.7
235.08609	0.9
236.06010	1.0
236.09596	0.5
237.06677	4.3
237.10355	1.7
239.11932	1.9
241.13477	0.6
245.12877	0.5
247.55070	0.5
249.10385	1.5
250.07594	2.1
251.08334	4.9
251.11928	1.5
252.08817	1.3
253.09784	1.2
254.10477	0.5
263.08215	1.8
263.11798	0.8
264.09131	2.5
265.09814	3.9
266.07706	0.6
266.10538	1.1
267.11453	1.1
269.13037	1.3
273.63058	0.4
277.09885	1.6
278.10532	1.0
279.07950	0.6
279.11459	2.6
281.09122	0.5
281.12622	1.6
283.10886	2.6
284.11731	0.5
285.12582	1.1
287.14099	1.0
291.07877	1.0
291.11349	1.2
292.08603	0.6
294.10416	0.5
295.10788	1.1
305.09341	1.8
307.10916	2.6
314.09155	0.5
315.10873	0.5
319.11154	1.0
323.10361	1.1
324.11371	0.6
325.11984	1.3
328.11057	0.9
330.12531	1.4
330.16327	0.7
332.14182	0.9
337.12015	0.7
339.13495	4.5
342.12494	1.2
342.16058	0.6
343.13455	1.0
343.24573	0.5
344.14093	2.2
345.14810	0.7
346.15723	3.3
351.13568	1.0
355.13156	1.6
356.10184	0.6
356.14151	0.8
358.11893	1.3
358.15729	2.5
359.16357	0.8
360.17114	2.2
370.12000	1.4
371.12689	1.1
372.13321	2.5
372.17557	0.6
373.14297	1.7
374.14917	1.2
384.13223	1.2
384.17343	1.7
385.14227	1.2
386.15204	4.8
387.15857	0.9
398.15152	1.6
399.15875	0.8
400.16809	1.6
402.14438	1.8
402.18967	0.8
404.16238	0.8
406.17767	0.7
412.12762	1.1
416.16098	1.4
417.16864	1.2
418.17853	0.6
428.15921	3.6
430.17914	1.4
440.16196	1.6
448.18817	1.9
456.15570	0.7
459.18173	1.8
460.18860	6.8
461.19196	1.0
472.18845	1.5
490.19147	0.7
502.19907	1.6
503.20657	1.5
504.21524	3.8
511.23480	0.9
523.20422	1.2
525.24945	0.7
549.24670	0.8
551.23755	2.0
552.23749	1.1
565.24384	0.7
570.24762	0.9
571.25476	3.0
574.80017	0.6
593.24115	5.9
594.24030	1.1
597.27069	0.6
625.26807	100.0
626.27069	17.0
641.27014	0.6
643.28247	0.9
671.18164	0.6
709.29706	0.6
711.30560	0.6
712.30511	0.9
784.33112	0.7
786.34595	0.7
833.36261	1.7
834.37073	0.8
875.37085	3.3
907.39941	31.7
908.40289	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	901.4823
Annotation	Abutiloside G
Peak:m/z	Relative Intensity
68.99718	0.4
69.03340	0.9
71.01270	45.5
71.68325	0.2
72.01609	0.6
72.99200	5.1
73.02835	11.7
75.00768	0.8
81.03342	0.5
83.01276	4.8
84.02045	0.4
85.02841	19.2
85.99989	1.8
86.03200	0.5
87.00229	0.4
87.00773	8.6
87.04408	2.1
89.02338	24.7
90.02663	0.3
93.03338	0.2
95.01280	3.6
97.02831	0.9
99.00777	2.3
99.04436	0.4
101.02344	27.3
102.02681	0.6
103.03915	2.2
109.63577	0.2
111.00803	1.5
111.11249	0.2
113.02355	15.9
114.02688	0.5
115.03926	3.0
119.03416	7.1
120.14168	0.2
125.02349	0.8
125.33556	0.2
127.03874	0.5
129.01865	0.4
131.03423	4.6
133.25529	0.2
141.01878	0.3
143.03433	4.7
145.05022	0.9
159.02936	0.8
161.04527	0.9
163.06053	2.2
173.04604	0.3
179.05566	0.4
205.07191	2.6
233.97707	0.2
238.83037	0.2
247.08217	0.4
248.74237	0.2
413.30820	0.5
431.31598	0.8
575.35736	0.4
576.35303	0.3
593.37146	0.4
737.41449	0.5
739.42560	0.6
755.42389	11.9
756.42432	2.2
837.22095	0.2
901.48187	100.0
902.48517	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	901.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89832	0.3
63.02308	0.5
65.00237	0.6
66.57036	0.3
67.85901	0.3
70.27313	0.3
71.01276	0.7
71.58805	0.4
85.02826	0.5
89.02362	0.3
96.95905	3.2
98.95515	0.3
101.02389	0.4
101.24455	0.3
107.01310	0.6
121.02933	0.9
122.06038	1.2
133.02937	0.7
133.59210	0.3
143.04956	1.0
149.02301	0.5
151.00285	1.3
152.07108	1.2
153.48137	0.3
171.04471	1.2
175.03932	1.2
175.73885	0.3
187.03995	0.5
199.04016	4.2
201.01921	1.3
203.03506	0.5
209.11824	0.9
215.03528	2.4
227.03514	3.3
242.02295	0.5
243.03033	3.4
255.03072	1.1
255.06563	0.4
271.02542	49.3
272.02884	3.3
282.01791	0.5
293.21207	1.1
299.02029	100.0
300.02484	9.5
301.03549	1.3
397.13736	0.6
401.61298	0.4
425.19885	0.4
463.08920	1.3
575.22742	0.7
593.24200	2.9
594.23950	0.5
608.13971	41.9
609.14288	6.1
625.26862	0.9
626.27710	0.5
883.34662	1.5
884.34204	0.5
900.89148	0.4
901.35077	10.8
902.35022	2.6
933.69427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36693	0.4
68.41946	0.4
68.99718	0.6
69.03336	1.3
69.24966	5.0
71.01271	21.7
71.04910	2.6
72.99193	2.0
73.02834	4.5
75.00758	0.6
78.95793	0.5
79.95621	0.4
80.96423	0.8
81.03349	1.1
81.23466	0.4
83.01288	2.2
83.01713	0.4
83.04909	1.1
84.84071	0.5
85.02839	5.2
87.00771	3.9
89.02338	12.8
95.01260	1.6
95.04910	1.5
97.02848	5.5
97.06506	2.5
98.19829	0.8
99.00784	11.7
101.01703	0.8
101.02349	13.3
109.06495	2.5
110.03674	0.7
111.00762	0.9
111.04411	0.8
113.02355	6.9
119.03430	3.4
123.08083	1.6
125.02383	3.9
125.09650	6.5
127.07583	0.4
127.11172	1.8
131.03394	0.7
135.08078	0.7
136.05237	0.9
141.01894	0.6
142.02640	1.7
143.03452	2.3
149.09627	0.5
151.11243	0.4
153.12852	0.6
154.72250	0.5
155.10686	1.1
161.04501	2.4
161.09589	0.7
163.11241	8.0
165.09151	0.6
169.12292	0.7
171.10214	12.5
179.05553	2.0
179.10722	0.7
181.12306	10.8
182.12611	0.9
185.11909	0.6
185.25824	0.5
189.09196	0.7
197.11807	2.9
198.12175	0.7
199.09679	1.1
199.13406	9.7
201.11310	9.9
202.11604	0.7
207.10257	27.4
208.10587	1.4
215.12796	0.9
221.06599	2.2
225.11325	42.3
226.11639	2.2
235.08212	2.6
242.43010	0.5
243.12411	9.1
253.09361	1.1
263.07803	0.6
277.21786	49.2
278.22205	4.6
287.07895	0.6
305.08957	0.5
358.51004	0.5
379.12576	2.2
397.13596	13.3
398.13907	0.6
415.14758	3.5
439.14691	0.9
555.00372	0.4
605.24457	3.3
623.25958	4.6
641.26593	1.2
675.36560	0.9
857.46014	0.6
883.47235	12.1
884.47644	3.1
901.48157	100.0
902.48474	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00202	4.8
68.57429	1.3
71.01260	2.7
71.57468	1.0
71.57852	1.2
78.95785	2.3
85.02834	2.2
89.02366	1.7
93.03350	7.0
96.95899	12.5
97.31181	1.3
101.02330	3.4
102.05430	1.5
103.89990	1.3
109.02852	5.4
113.02377	1.5
121.02879	27.8
124.01658	1.8
125.02321	1.7
134.03687	2.4
134.05978	1.3
137.02356	2.0
139.03891	2.2
145.02809	1.4
148.01601	1.6
149.02388	6.0
151.00331	1.6
152.07137	2.4
157.02834	1.4
160.01521	2.0
161.02391	2.1
163.04044	1.3
173.04495	2.3
174.17873	1.3
175.00323	3.8
175.03935	2.4
179.03525	1.5
189.01892	1.6
191.05501	2.4
199.03984	2.2
201.01910	2.6
201.09113	1.5
203.03540	2.4
209.11838	1.5
214.02765	2.3
215.03374	2.7
224.37996	1.2
227.03476	5.4
227.10919	1.5
228.04118	1.4
229.05035	4.8
241.05063	4.1
253.09203	1.6
255.06670	9.3
257.08237	2.7
269.08154	4.5
271.02515	5.0
271.09833	9.8
277.08813	1.7
281.08124	1.6
299.02029	5.5
299.09183	2.2
300.02762	4.7
301.03616	1.7
313.03632	2.6
325.03531	2.2
329.13947	1.5
349.07724	1.8
351.05054	3.0
355.11819	3.9
359.95425	1.6
365.06924	2.5
373.12970	5.3
377.06808	6.8
379.08215	4.6
381.20773	3.7
391.08176	3.0
399.21805	2.8
405.09805	10.3
407.11459	3.3
419.11279	6.9
420.12173	7.6
421.13013	8.9
425.19653	8.0
443.20886	5.9
449.12531	1.8
505.15359	1.5
523.16064	2.5
545.17749	1.6
557.21466	2.3
574.21350	1.5
575.22961	12.0
576.23053	3.7
592.23346	1.6
593.23999	25.7
594.24530	3.9
622.00256	1.4
729.24255	1.8
883.18549	2.4
883.34174	18.5
884.34131	5.5
901.35052	100.0
902.35663	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.466
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	0.5
68.99689	1.4
69.03333	1.2
69.61905	2.1
71.01270	29.9
72.99188	2.3
73.02833	9.4
75.00759	1.0
75.83755	0.4
78.95776	0.9
83.01273	4.6
84.02057	0.4
85.02838	11.0
85.03351	0.7
85.99986	0.6
87.00299	0.6
87.00774	6.0
87.04388	1.3
89.02338	20.0
93.03324	1.2
95.01276	4.4
96.95910	0.9
97.02843	0.9
98.20533	0.5
99.00772	4.9
99.04423	0.5
101.02345	19.4
101.03014	0.9
102.02671	0.4
103.03927	2.1
111.00790	13.3
113.02354	12.7
114.02686	0.5
115.03928	1.0
119.03413	7.0
122.06008	0.8
123.00797	1.0
125.02331	0.8
127.07547	0.4
129.01848	3.1
131.03424	6.1
133.02902	0.4
134.03638	0.5
134.05974	0.5
135.04443	0.7
137.02309	0.4
141.01862	8.0
143.03424	4.5
145.05000	1.1
149.04460	0.5
152.07091	1.1
159.02934	4.6
161.04494	1.3
163.06050	4.1
173.04546	2.6
175.03934	0.7
179.03487	0.5
179.05537	1.9
191.05534	2.6
205.07161	2.4
229.14481	0.6
247.08275	2.1
255.60570	0.5
431.31790	0.6
446.22897	0.4
449.14673	0.5
593.36981	3.5
594.37964	0.5
625.26434	1.1
739.42883	100.0
740.43201	23.9
879.86804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.352
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02293	0.6
65.00220	0.8
71.01268	1.0
71.56503	0.6
78.95826	0.4
81.03357	0.4
83.01273	0.4
86.31505	0.4
89.02312	0.6
96.95909	3.2
101.02352	0.6
107.01306	1.7
109.02866	0.8
111.00842	0.3
113.02320	0.5
117.30558	0.4
121.02866	11.5
122.03172	0.5
122.06026	1.1
133.02872	0.8
143.04971	0.4
145.02907	0.6
151.00325	5.6
152.07124	1.3
155.04930	0.6
159.04471	0.4
163.00331	0.5
169.01308	0.8
171.04469	1.5
174.59868	0.4
175.03970	1.1
178.99820	1.8
179.03311	0.8
182.03738	0.4
183.04480	1.9
187.04028	1.1
191.05724	0.5
199.03989	5.7
200.04362	0.5
201.01866	1.4
203.03510	0.8
209.11845	0.9
211.03920	0.5
215.03491	2.9
226.02797	0.5
227.03517	4.5
228.03821	0.8
243.03024	7.3
245.04648	0.5
255.03035	6.1
266.55994	0.4
271.02533	46.2
272.02893	3.7
282.01611	0.5
293.21274	0.8
297.03891	0.4
299.02036	100.0
300.02643	18.2
301.03525	6.5
313.03683	1.2
371.07828	7.4
372.08224	0.6
463.09076	5.0
464.09293	0.5
575.22729	0.6
593.23804	1.9
608.13953	66.4
609.14215	9.7
625.26593	0.8
626.27368	0.6
697.70099	0.4
729.24567	1.3
901.34869	6.2
902.35382	1.2
903.12701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	0.4
69.03347	4.3
69.31158	1.8
71.01271	15.3
71.04906	1.7
72.01591	0.1
72.99199	1.4
73.02837	2.2
75.00776	0.5
77.86591	0.1
79.95625	0.3
80.96424	0.4
81.03359	0.5
83.01282	1.6
83.04920	0.3
85.02850	3.5
87.00771	2.4
89.02338	9.0
89.33268	0.1
93.03374	0.3
95.01285	1.1
95.04906	0.3
96.95930	0.3
97.02847	2.1
97.06490	0.6
99.00763	1.2
99.99625	0.2
101.02348	8.5
102.02754	0.2
109.02847	0.5
109.06477	0.2
111.00789	0.5
111.04419	0.7
113.02360	3.9
115.03891	0.2
119.03429	1.6
121.02904	0.3
123.00739	0.3
123.08079	1.2
125.02370	2.3
125.05997	0.2
125.09652	1.9
127.03944	0.3
131.03419	0.5
133.05029	0.2
137.09616	0.3
141.01839	0.4
143.03456	1.0
149.04515	0.2
149.09627	0.5
151.11218	1.7
153.12814	1.3
161.04483	1.2
161.09665	2.4
162.94214	0.2
169.12302	1.6
171.10191	0.7
173.04460	0.3
179.05617	0.9
179.10728	4.8
180.10988	0.2
183.13861	0.2
185.04526	0.2
197.11813	60.9
198.12128	3.3
199.13429	0.2
203.05681	0.2
205.08713	0.3
207.10211	0.2
211.13411	0.3
221.06668	2.7
221.11810	0.2
223.09756	1.6
225.56709	0.2
235.08232	1.1
241.10846	3.4
253.09387	0.6
259.20493	0.2
263.07648	0.2
277.21783	20.4
278.22110	2.0
291.19595	0.3
293.21289	0.2
309.20914	0.8
310.21045	0.7
311.21353	0.2
322.48788	0.2
323.09680	0.2
344.04895	0.2
397.13605	2.3
415.14557	0.7
464.63602	0.2
468.57669	0.2
621.23938	0.5
639.25446	0.7
737.44299	0.2
881.45367	0.4
899.46667	100.0
900.46960	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	899.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78409	0.5
65.74931	0.5
69.03343	4.0
71.01270	20.0
71.04880	1.3
71.58295	0.5
71.58774	0.8
72.99203	1.7
73.02845	2.5
77.12207	0.5
78.95785	0.7
80.96394	1.7
81.03354	0.6
83.01270	2.1
83.04919	0.6
85.02840	4.7
85.54472	0.4
87.00767	3.3
89.02337	11.3
93.03323	0.9
94.97925	0.5
95.01284	1.7
95.04971	0.5
97.02859	2.8
99.00804	0.7
101.02347	11.4
110.61938	0.5
111.00777	0.7
111.04427	1.5
111.08081	0.7
113.02357	5.4
116.92765	0.8
119.03403	2.3
123.08021	1.0
125.02360	3.2
125.09616	1.4
127.03945	0.6
135.08043	0.6
141.09218	0.7
143.03433	0.9
151.11215	2.3
153.12790	1.5
161.04514	1.2
161.09622	2.6
169.12289	10.5
170.12595	1.0
171.10257	1.6
179.05643	1.3
179.10715	4.9
197.11813	41.2
198.12167	3.6
205.08574	0.6
211.13445	1.3
221.06609	1.8
223.09660	2.7
226.71750	0.6
235.08296	1.1
241.10812	1.6
253.09291	2.8
254.09824	0.6
277.21783	35.2
278.22119	3.3
291.19781	1.5
292.20026	1.6
293.21207	0.6
309.20654	4.5
310.20883	3.6
311.21725	0.8
379.12469	1.0
397.13614	4.3
415.14670	1.4
529.76166	0.6
639.25262	0.7
655.76874	0.6
670.12701	0.5
737.64423	0.6
881.46857	0.7
899.46667	100.0
900.47009	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02287	11.3
65.00205	9.0
71.01272	2.8
71.58392	1.2
71.58789	1.0
83.01278	10.0
85.02843	1.6
87.70450	1.1
89.02345	1.2
93.03353	2.3
94.06499	1.3
95.01273	1.9
96.95926	7.4
107.01293	22.8
107.03685	5.2
110.30523	1.0
111.00792	1.1
113.02324	1.2
116.92735	1.2
122.06047	15.1
123.00785	1.3
123.06314	1.6
124.01578	7.1
125.02415	1.5
135.04396	1.9
139.02644	2.9
145.02853	1.5
151.00311	62.9
152.01083	19.8
152.07114	21.2
153.07475	2.4
161.02515	1.1
163.00313	2.4
169.01366	18.0
173.04517	2.7
175.03932	1.3
177.01746	1.4
178.99821	83.8
180.00124	3.1
191.05617	2.2
192.00597	1.4
193.01341	2.9
199.03900	1.0
206.19238	1.1
209.11761	2.8
214.52679	0.9
239.04718	1.1
243.02870	1.2
255.03104	2.0
255.07716	1.3
267.07828	3.2
271.02560	3.6
281.09290	1.4
283.10919	1.8
287.10577	1.7
299.01956	5.1
300.02707	4.3
309.08801	3.0
310.09360	1.6
321.08960	1.5
333.09290	1.1
337.42349	1.1
345.09109	1.0
349.08884	1.9
350.82999	1.1
351.10617	1.4
353.07965	1.2
361.08835	13.0
362.09491	5.0
363.10278	1.4
377.08200	3.9
378.09052	10.3
379.09576	2.6
387.06610	1.6
388.07217	1.9
389.08270	44.1
390.08810	5.3
391.10303	1.5
392.06982	3.2
405.07648	5.4
406.08545	38.1
407.09286	40.2
408.09650	6.2
417.07690	1.5
438.07611	1.5
511.07758	1.3
541.09448	3.3
542.09357	1.4
568.07745	2.1
569.08936	5.9
587.10022	11.1
588.10504	2.0
611.55872	1.1
643.28107	1.6
877.18890	1.6
894.40564	12.9
895.20996	100.0
895.40265	22.2
896.21527	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03249	0.7
65.91544	0.6
68.99689	0.8
69.03339	2.2
71.01271	19.7
71.58385	1.2
71.58775	0.9
72.99186	2.1
73.02831	2.5
74.08382	0.6
78.95806	1.8
80.96386	1.8
81.03354	0.9
83.01271	1.7
83.04932	1.2
85.02853	3.9
87.00772	4.7
89.02340	10.9
93.03373	0.9
95.01276	1.7
95.27303	0.8
96.95899	0.7
97.02837	3.6
97.06470	1.0
99.00793	1.1
101.02348	11.7
109.02865	0.8
111.04416	1.6
113.02351	5.5
116.92773	1.6
119.03414	2.9
120.57707	0.8
125.02364	3.2
141.01796	1.0
143.03464	1.0
151.11267	1.2
153.12778	1.1
160.82278	0.8
161.04491	1.9
168.97043	0.8
169.12299	18.1
171.10260	4.5
179.05534	1.9
179.10712	1.4
186.65640	0.8
197.11809	42.6
198.12183	2.8
205.08737	2.2
207.10217	1.3
209.11769	0.9
221.06656	1.6
223.09731	5.0
223.13184	0.8
235.08240	1.9
237.42981	0.7
241.10869	1.5
247.20680	0.9
253.09221	2.4
254.09583	1.0
276.05478	0.8
277.21783	31.0
278.22052	3.1
291.19681	2.8
292.20047	1.6
293.21164	3.2
294.21533	2.5
295.22760	1.8
309.20779	8.0
310.21176	3.7
311.21381	1.4
325.20273	1.3
326.20624	1.1
379.12723	1.1
389.78979	0.9
397.13626	8.3
415.14651	2.1
657.33856	0.8
825.47620	1.3
881.45099	2.1
899.46667	100.0
900.46960	26.2
915.43323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	2.0
71.01275	5.3
72.99184	0.7
75.00755	1.5
78.42677	0.7
78.95789	1.0
80.02556	0.9
85.02845	2.7
87.00774	0.9
89.01821	0.8
89.02348	2.8
95.01328	0.9
96.95908	1.8
97.02861	6.6
99.00797	0.9
101.02378	3.8
108.07588	0.8
111.08060	3.9
111.30402	0.6
113.02329	2.5
116.92799	1.0
119.03445	1.1
125.09631	1.4
137.09631	1.9
153.12840	0.9
161.04440	1.5
163.11237	1.5
165.12801	3.9
169.12292	2.4
171.10262	5.7
179.14435	0.9
181.12303	1.5
183.13853	1.1
193.15910	1.5
195.14026	0.7
197.11813	24.9
198.12169	0.9
199.13385	1.1
207.10191	1.4
209.11807	4.7
211.13405	7.1
227.12903	4.4
235.08302	3.6
247.20747	3.2
253.09351	17.8
254.09624	1.3
273.18777	1.0
277.21844	2.1
284.27167	0.8
291.19733	41.8
292.20160	4.4
293.21405	1.6
309.20789	100.0
310.21146	9.3
325.20111	0.9
527.28540	1.3
545.29871	6.2
546.30273	1.4
601.41217	2.3
626.27478	0.9
897.46912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03351	0.6
69.38506	4.5
70.52622	0.4
71.00908	0.7
71.01274	7.1
72.99194	0.8
73.02818	2.0
78.95807	0.5
80.04930	1.2
83.01276	1.3
85.02838	3.0
87.00773	0.6
87.04429	0.5
88.98691	0.6
89.02334	2.4
93.03381	0.8
94.06526	2.5
95.01276	0.6
96.95891	0.6
99.00766	0.7
101.02352	4.3
105.05451	1.2
106.06523	1.2
107.03673	6.7
111.00836	0.4
113.02368	3.0
119.03429	0.5
120.04443	1.3
120.08112	1.0
122.02325	0.5
122.06041	40.2
123.06330	0.9
124.07599	0.6
124.35548	0.4
125.02406	0.6
130.06706	0.5
132.04501	0.7
134.06049	8.5
136.07588	0.8
139.02657	3.6
148.07690	0.5
150.05519	1.6
152.07115	59.9
153.07529	2.7
159.02979	0.5
160.03972	0.8
161.02374	0.8
161.04582	0.9
166.05014	0.7
173.04515	0.9
178.99715	0.5
190.05060	1.3
191.05522	1.0
210.08005	0.7
211.08772	1.4
213.10301	1.2
215.11838	2.0
223.08757	1.3
224.09537	1.1
225.10265	2.7
227.11957	0.7
235.08682	0.7
236.05856	0.8
237.06740	4.1
237.10339	1.5
238.11136	0.8
239.11919	1.9
239.82362	0.5
241.13527	0.9
243.14909	0.7
249.10338	0.8
250.07420	1.3
250.32156	0.5
251.08336	4.7
251.11906	1.1
252.09052	0.9
253.09888	0.6
261.10187	0.6
263.08258	2.1
263.11902	0.9
264.09052	2.1
265.09830	4.8
266.07004	0.7
266.10556	0.6
267.11182	1.8
277.09830	1.5
279.11371	1.4
283.10953	2.0
284.11176	0.5
287.14075	0.7
291.07935	1.1
291.11179	0.9
293.09198	0.5
295.10898	0.8
305.09381	0.5
307.10913	1.6
318.16098	0.6
319.10910	0.7
323.10480	0.8
325.12155	0.7
326.12869	0.5
330.12534	1.2
331.13367	0.9
339.13535	3.3
342.12482	0.9
342.16241	0.8
342.25851	0.5
344.14206	1.8
345.14713	1.0
346.15793	2.4
347.16211	0.7
351.13535	0.8
354.12695	0.6
355.13037	1.8
356.10150	0.6
358.12027	1.3
358.15747	2.0
359.16351	0.9
360.17398	2.8
367.13086	0.6
370.12030	0.9
370.16153	0.6
371.12744	1.1
372.13428	2.0
372.17426	1.1
373.14297	1.4
374.14722	1.2
384.13358	1.4
384.17581	0.9
385.14154	1.2
386.15091	5.7
387.15564	0.8
398.14938	0.7
400.16699	1.7
402.14725	1.6
402.19037	0.7
404.16089	0.8
410.14771	0.5
412.12408	0.9
412.17188	0.9
416.16180	1.0
417.17007	1.1
428.16156	3.1
430.17706	1.1
440.16138	1.8
441.16995	0.7
448.18835	1.6
459.18112	1.8
460.18948	6.0
461.19531	0.6
471.17566	0.9
472.19052	0.8
502.20245	1.3
503.20450	1.4
504.21548	3.8
505.21149	0.7
511.23486	0.9
525.25397	1.0
537.23181	0.9
538.22491	0.6
539.23120	0.6
549.25690	0.9
551.23224	2.1
552.23883	0.9
571.25739	2.8
593.24213	7.5
594.24396	1.7
597.27002	1.1
611.25122	1.0
625.26819	100.0
626.27106	19.6
643.27808	3.0
649.49640	0.6
685.28088	0.8
696.26996	0.6
698.29865	0.7
738.29108	0.6
757.30652	0.6
758.92322	0.6
770.32062	0.6
771.31628	0.7
819.34894	0.7
820.35004	1.4
861.35620	4.4
862.35944	1.3
893.38519	24.4
894.38702	9.2
897.36243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87844	0.8
61.98708	1.3
63.26467	0.6
70.90987	1.2
70.91326	1.5
71.01268	9.9
72.14017	0.8
73.02827	3.2
80.04926	1.0
82.51098	0.7
83.01274	2.0
85.02841	9.8
87.00774	1.4
89.02324	5.7
92.46931	0.7
94.06507	3.9
95.01295	0.8
97.49838	0.8
99.00765	1.2
101.02342	6.3
103.03918	16.0
104.05002	0.9
106.06538	6.6
107.03683	10.4
108.04457	1.0
113.02337	3.1
119.03462	3.4
120.04439	1.6
120.08118	2.0
122.06040	55.6
123.06365	2.3
124.07578	0.9
132.04471	2.3
134.06049	29.7
135.06403	1.0
136.07582	1.6
139.02664	4.1
143.03447	1.0
146.06050	1.0
150.05527	2.8
152.07115	79.7
153.07449	3.0
160.03955	1.8
162.05495	0.8
166.05107	0.8
171.05585	0.7
173.04547	1.3
174.05548	1.5
190.04991	1.4
191.05649	1.2
197.33823	0.7
211.08763	2.3
211.12701	0.8
213.10332	2.5
215.11832	2.3
221.10822	0.8
223.08759	3.6
223.12421	1.2
224.09543	3.0
225.10208	3.5
226.10851	1.4
227.11906	1.9
235.08803	0.7
235.12378	0.9
236.05945	1.1
236.09567	1.8
237.06657	2.5
237.10434	3.0
238.11090	1.4
239.11925	4.2
239.95490	0.8
241.13527	2.8
243.15060	1.4
245.12978	0.9
247.08484	0.8
248.09615	0.9
249.06654	2.0
249.10454	2.2
250.07509	1.8
251.08307	10.0
251.11978	3.3
252.08897	1.3
252.12720	0.9
253.09770	1.3
253.13580	1.2
261.10349	1.8
262.07584	0.8
263.08340	5.8
263.11957	1.8
264.09210	5.2
264.11823	1.2
265.09436	46.3
266.10056	2.8
267.11383	2.7
276.08875	1.0
277.09964	6.3
278.10541	2.3
279.11420	7.7
280.12201	2.2
281.12833	1.1
283.10965	1.8
285.12561	4.2
287.14099	1.5
289.09830	0.8
291.08136	1.1
291.11453	3.6
292.12213	3.2
293.09537	1.7
293.12958	1.4
295.10883	2.6
295.14420	0.9
305.09357	4.2
306.09998	1.3
307.10895	3.0
313.11948	0.9
319.11008	1.0
323.10495	2.1
324.11176	2.7
325.12015	2.5
327.13657	1.5
327.21863	4.9
329.15213	1.5
330.12497	1.4
330.16171	1.0
336.11139	1.0
339.13672	1.8
340.10782	1.1
342.12369	1.0
342.16235	2.5
344.14157	1.9
346.15726	2.2
355.13132	1.3
356.14294	1.2
358.11942	1.5
358.15799	2.8
360.17270	3.5
370.11591	1.0
370.15686	1.8
371.12592	1.1
372.13361	1.2
372.17459	1.5
373.14246	1.6
374.15125	1.2
374.19238	0.9
382.15695	0.9
384.17297	3.2
385.14139	1.3
386.14981	8.1
386.18872	1.1
387.15771	1.4
388.16708	1.0
398.15161	3.2
399.15637	1.8
400.16632	3.8
402.18274	3.0
411.16229	0.9
412.16733	2.5
414.18719	3.7
416.16205	3.0
426.18790	1.6
427.19354	2.0
428.16016	4.1
429.16879	1.3
430.17596	2.0
431.18814	1.2
440.16623	1.4
442.17685	1.4
443.18604	2.3
444.19290	2.0
446.17249	1.5
448.18881	2.5
453.16669	2.0
454.17447	1.1
456.16019	1.0
458.17169	1.4
459.17944	1.2
460.18832	2.8
461.19418	2.1
470.17279	1.8
471.18011	10.3
472.18735	2.0
489.19092	5.9
490.19666	2.5
502.19760	1.0
503.20490	1.0
504.21750	2.5
533.21295	1.1
549.25470	1.1
551.23096	2.3
565.24597	1.4
567.26288	1.4
571.25592	1.9
575.22839	1.7
583.25287	0.9
593.24188	29.4
594.24432	4.5
611.25354	7.4
612.25818	1.8
625.26813	46.3
626.27264	7.5
643.27924	1.4
696.29218	0.9
737.28510	5.2
764.56647	0.8
818.35889	1.0
841.33246	0.9
859.34314	100.0
860.34680	26.2
891.38123	34.2
892.38330	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	889.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.7
62.72061	1.0
69.03333	0.9
69.64825	3.0
69.65247	4.7
71.01270	13.6
73.02843	1.8
76.14173	1.0
82.49199	1.0
83.01288	1.7
85.02838	2.8
87.00750	2.7
89.02335	9.5
90.65401	0.9
95.01303	1.8
97.02827	2.8
98.20583	1.1
101.02348	10.1
113.02357	6.0
116.92786	1.1
119.03426	1.5
125.02370	3.3
127.11224	1.9
133.01471	1.4
143.03360	1.4
150.04210	2.5
151.11235	2.7
161.04419	1.6
169.12294	20.8
170.12698	1.3
171.10226	61.2
172.10579	3.1
173.04507	1.1
179.05536	1.5
208.71913	1.1
213.11327	2.9
221.06630	3.0
231.12366	2.8
235.08240	1.3
266.30045	1.1
277.21805	23.1
278.22113	2.0
285.68637	1.0
379.12595	1.8
397.13840	5.3
463.54041	1.2
466.42459	1.3
615.91650	1.2
629.26196	1.3
871.46826	3.0
889.48218	100.0
890.48346	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	889.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	2.3
63.17605	0.4
66.27681	0.5
69.03346	0.9
71.01265	15.4
72.99191	1.4
73.02502	0.5
73.02834	2.6
80.25330	0.5
81.03354	0.5
83.01272	2.4
85.02845	5.0
87.00769	3.9
89.02339	13.2
95.01285	1.3
97.02855	2.2
99.00793	0.8
101.02344	14.3
111.00811	0.6
111.04425	0.6
113.02356	7.3
116.92799	1.1
119.03406	3.9
122.98728	0.5
125.02375	7.3
125.09585	1.1
127.03865	0.5
127.11198	2.2
131.03452	1.2
139.03925	0.8
143.03458	2.7
149.04601	0.6
150.35281	0.5
161.04535	4.7
167.03419	0.9
171.10222	100.0
172.10574	3.5
174.60873	0.6
179.05583	3.1
193.43631	0.5
199.06183	0.5
209.11821	1.1
217.07176	1.7
221.06606	0.8
225.00478	0.5
235.08226	6.4
245.06798	0.5
253.09477	0.7
259.08228	1.1
259.20706	0.7
264.27014	0.5
269.95758	0.5
277.21771	71.7
278.22107	6.3
287.07779	3.4
291.23151	0.6
305.08798	2.7
323.09857	1.0
361.11139	0.6
379.12534	18.3
380.12827	1.1
397.13571	46.8
398.13950	4.1
415.14639	7.9
447.30121	0.6
551.23743	4.1
552.23773	0.7
569.24792	2.7
657.35187	2.6
675.36011	4.3
676.36188	0.9
889.48187	2.1
905.11353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	0.7
69.03347	1.1
70.65149	1.0
71.01271	15.8
72.02756	0.2
72.99213	1.4
73.02836	2.4
75.00748	0.4
78.95793	0.3
81.03357	0.7
83.01260	1.4
85.02847	3.9
87.00769	4.3
89.02339	12.2
93.03348	0.3
95.01299	1.6
97.02838	2.6
99.00781	0.8
99.04401	0.3
101.02349	11.9
109.02908	0.3
111.04424	0.6
111.57945	0.3
113.01627	0.5
113.02365	6.8
115.03929	0.6
119.03413	3.0
123.04446	0.4
125.02365	6.3
125.09650	1.1
127.11220	2.2
131.03433	0.8
133.05009	0.4
139.03941	0.7
141.01930	0.4
143.03456	2.8
149.04475	0.4
153.09106	0.7
160.29050	0.3
161.04523	3.6
167.03441	0.5
169.05048	0.4
171.10226	100.0
172.10573	3.7
179.05579	3.3
181.05031	0.3
185.04510	0.4
185.11897	0.3
199.06102	0.5
205.19614	0.3
209.11911	0.5
213.11366	0.7
217.07213	1.1
221.06728	0.8
235.08224	5.4
253.09312	0.6
259.08289	0.8
263.07831	0.4
277.21780	57.5
278.22125	3.7
287.07803	2.5
291.23413	0.4
301.09442	0.6
305.08884	2.1
323.09912	1.1
361.11761	0.4
379.12521	15.5
380.12976	1.0
397.13589	39.5
398.13971	2.5
415.14642	7.9
416.14529	0.4
459.18918	0.3
466.06064	0.3
531.13458	0.3
551.23425	4.0
552.24243	0.8
569.24561	4.9
570.24756	0.4
588.17279	0.3
596.62317	0.3
657.35028	1.8
658.35345	0.4
658.77643	0.3
675.36121	2.8
729.93890	0.3
815.53345	0.3
829.46747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	1.9
67.01775	0.7
69.03340	2.6
78.95800	0.8
85.02842	3.1
93.03371	0.6
95.01297	0.8
96.95910	2.4
97.02866	2.1
108.02083	1.6
109.02883	1.0
112.89589	0.5
116.92767	1.6
117.99566	0.5
121.02876	4.1
123.00805	9.6
123.04427	2.2
124.01623	2.3
124.05210	1.2
125.02400	0.8
125.99142	0.4
134.03639	0.7
135.04465	1.6
137.02402	4.0
138.03162	3.6
139.03940	2.1
145.02858	1.6
145.85786	0.4
147.04451	2.1
149.02362	0.9
150.03195	1.3
151.00311	70.1
151.03868	3.0
152.01105	4.5
152.07130	0.9
153.05511	2.3
159.04482	0.6
160.01613	1.3
161.02400	1.6
161.05998	0.8
162.03203	1.2
162.06813	3.9
163.03914	2.5
163.07391	0.4
163.22234	0.4
164.04704	1.3
165.01910	2.1
165.05531	0.7
165.09174	1.1
166.02669	100.0
167.03323	5.0
171.10178	1.3
173.02373	2.0
174.03194	1.0
175.03944	2.9
176.04726	1.1
177.01776	0.6
177.05534	1.4
177.09181	1.4
178.06255	0.9
179.07103	1.1
181.05025	70.0
182.05316	2.5
188.04778	1.9
189.05513	2.1
190.02702	0.6
190.06299	1.1
191.03545	0.9
191.07150	1.5
193.05066	0.8
201.05478	0.6
203.07129	1.2
204.04193	0.6
204.07872	0.7
205.05032	0.7
205.08708	2.2
206.05713	0.6
207.06644	0.8
211.13426	2.7
215.07082	1.1
216.04167	0.7
217.04948	0.5
219.06577	0.5
221.08119	3.0
229.08705	0.9
230.05833	0.8
230.09451	1.0
231.06641	3.1
232.07225	0.8
237.11488	0.5
241.04997	0.9
245.08122	0.8
246.09042	0.8
251.09279	1.1
253.05200	0.6
253.09265	0.9
265.10861	1.6
268.07449	0.6
269.04559	1.7
283.06287	1.4
287.07196	0.5
291.19803	0.7
295.06250	0.8
296.06772	0.8
297.04062	2.8
298.04730	0.6
309.20804	1.0
311.05759	1.5
311.09338	3.2
312.06375	2.4
312.09802	0.9
326.08243	0.8
326.11664	2.2
327.05377	0.9
327.08844	9.8
327.12466	1.1
327.21622	0.7
328.09344	1.3
328.22363	0.6
329.10547	0.8
341.10321	3.5
341.14014	6.9
342.11069	7.1
342.14749	0.7
343.11853	3.3
343.24939	1.3
344.12704	1.1
356.12695	1.9
356.88257	0.5
357.13510	38.5
358.13855	4.5
359.15097	5.3
366.14825	0.6
369.13562	0.9
373.13113	0.5
383.14920	0.7
397.16833	1.0
409.16489	1.0
412.15338	0.6
415.17786	0.5
427.17715	1.7
487.19775	4.8
488.20505	0.6
548.86389	0.5
563.23279	3.2
565.24640	4.7
607.25549	2.8
608.24432	0.7
611.24921	0.7
623.25067	8.0
624.25568	1.4
625.26703	26.7
626.27271	4.6
633.27087	1.1
637.25580	0.6
675.28247	0.8
693.29291	5.4
694.29108	0.9
707.31061	0.9
769.32007	1.7
829.34711	8.2
830.34723	1.7
889.36530	15.3
890.35657	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	885.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98729	1.1
63.42101	0.2
67.01756	0.3
69.03334	1.0
71.01267	13.1
72.01575	0.3
72.99202	1.3
73.02839	1.9
78.95786	0.5
79.81086	0.2
80.02566	1.2
80.96408	0.7
81.03345	1.4
83.01273	1.4
83.04919	5.0
84.02065	0.8
85.02854	2.9
87.00769	3.5
89.02337	10.7
90.83186	0.2
94.97985	0.2
95.01294	0.8
95.04919	0.6
97.02849	2.2
99.00776	0.6
101.02346	9.6
101.03009	0.5
109.02869	0.2
109.06461	0.5
109.09576	0.2
113.02357	5.9
118.51971	0.2
119.03425	3.0
125.02365	5.0
125.05968	0.3
127.03943	0.3
131.03421	0.6
135.08099	0.4
138.66068	0.2
139.03932	0.8
141.01830	0.6
143.03427	2.2
149.04457	0.4
154.60551	0.2
157.80031	0.2
161.04492	3.3
162.50058	0.2
163.11247	3.7
164.11470	0.3
165.12788	1.7
167.03424	0.4
179.05576	3.7
181.12280	0.4
191.10712	0.8
197.11916	0.3
203.05600	0.3
207.10306	0.5
209.11819	100.0
210.12158	5.9
217.07074	0.4
221.06696	1.6
225.11327	0.4
227.12894	10.6
228.13263	0.8
235.08260	4.4
251.12979	0.8
253.09288	1.0
259.08298	0.6
263.07651	0.5
277.21790	42.5
278.22110	3.2
287.07877	1.5
305.08899	2.1
319.23077	0.3
323.09906	1.0
361.11475	0.4
379.12527	6.6
380.12897	0.4
397.13596	34.2
398.13773	2.4
415.14685	7.9
416.15155	0.7
420.66931	0.2
497.20056	0.3
589.25098	1.0
607.26050	1.5
608.25861	0.3
658.64398	0.3
675.36194	0.5
885.46600	1.2
886.47571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	1.7
70.65455	1.0
71.01264	5.0
73.02824	1.6
78.95782	0.4
80.04946	0.6
83.01292	0.8
83.04943	0.4
85.02844	2.8
89.02338	1.0
92.04982	0.5
94.06515	2.3
95.01267	0.7
96.95914	1.9
99.00784	0.7
101.02357	2.3
101.06022	0.8
104.04982	0.5
106.06535	0.9
107.03671	7.4
109.02837	0.4
113.02362	1.7
119.03432	0.5
120.04478	1.4
120.08118	0.6
121.05238	0.6
122.06036	41.3
123.06382	1.4
124.07614	0.6
132.04506	1.0
133.59314	0.3
134.03770	0.4
134.06042	8.4
135.06413	0.6
136.07629	0.9
139.02681	3.8
148.03902	0.6
148.07561	0.5
150.05614	1.9
152.07112	62.1
153.07457	2.3
160.04050	0.9
161.04593	0.8
166.04987	0.8
173.04527	0.8
174.05569	0.8
175.03970	0.4
186.05530	0.4
190.05104	1.7
191.05556	1.0
200.03387	0.5
200.09685	0.5
209.07146	0.6
210.07951	0.8
211.08788	1.9
212.03441	0.5
212.09227	0.4
213.10327	1.1
215.11923	2.0
221.10962	0.4
223.08772	2.0
224.09453	1.8
225.10309	2.7
227.11937	0.7
233.32133	0.4
234.07843	0.4
236.05916	0.9
236.09528	0.6
237.06725	3.8
237.10364	1.5
239.11887	1.4
241.13484	0.7
246.75406	0.3
248.09349	0.5
249.06599	0.6
249.10397	0.8
250.07481	1.7
251.08269	5.1
251.11911	0.9
252.08945	0.7
253.09793	1.2
254.56985	0.3
261.10434	0.5
262.07431	0.4
263.08286	1.8
263.11746	0.6
264.09061	1.8
265.09854	3.3
267.11444	1.0
269.09412	0.4
269.13058	0.5
275.08359	0.4
277.09894	1.6
278.10474	0.5
279.08350	0.3
279.11334	1.9
281.13171	0.5
283.10931	2.5
285.12592	1.2
287.14197	0.5
289.09851	0.4
290.10489	0.5
291.07925	0.8
291.11429	0.6
293.09387	0.8
293.12784	0.5
295.11096	0.7
297.12704	0.5
305.09348	1.2
306.10214	0.4
307.10843	1.6
318.15982	0.6
319.10712	0.9
323.10379	0.9
324.11255	0.6
325.11932	1.1
328.11026	0.8
329.12088	0.4
330.12582	0.9
331.13342	0.4
332.14215	0.8
337.12048	0.7
339.13660	3.7
340.14346	0.5
342.12656	1.3
342.16470	0.6
343.13431	0.5
344.14209	2.1
345.14917	0.8
346.15536	2.4
354.12311	0.5
355.13098	2.4
356.14059	0.6
357.11078	0.5
357.15137	0.5
358.11871	1.5
358.15759	2.1
359.16476	1.5
360.17368	1.7
370.11972	1.6
371.12784	1.1
372.13379	2.0
372.17429	0.9
373.14404	1.6
374.15067	1.4
384.13138	0.8
384.17307	1.4
385.14517	1.4
386.15186	4.1
387.15530	0.8
388.16757	0.7
398.15005	1.3
399.15527	0.8
400.16739	1.3
402.14780	1.1
404.16183	0.7
406.17825	0.6
412.12585	0.9
412.17154	1.0
414.18155	0.6
416.16077	0.6
417.17047	0.6
418.17508	0.6
428.16135	2.8
429.16623	0.5
430.17712	0.8
431.18475	0.5
434.17474	0.6
440.16306	2.0
448.18845	1.5
449.19611	0.5
459.18042	1.6
460.18988	5.7
461.19330	0.7
472.18829	1.9
476.22809	0.4
494.23026	0.6
496.46484	0.4
497.04254	0.5
502.19998	1.6
503.20746	1.0
504.21387	4.1
505.21680	0.5
511.23572	0.8
523.20026	1.1
525.25067	0.8
533.25018	0.7
549.24908	0.6
551.23047	2.2
552.23724	1.2
570.24915	0.5
571.25739	3.1
572.25732	0.4
583.26025	0.4
589.28455	0.4
593.24060	6.1
594.24500	1.4
597.26801	0.7
625.26794	100.0
626.27130	17.0
626.37659	0.6
643.28186	1.2
694.31042	0.6
766.32709	0.6
767.32953	0.5
768.33508	0.9
789.35406	0.4
815.34808	0.9
816.36487	0.6
857.36182	2.5
858.36273	0.5
889.38953	30.8
890.39075	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	883.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	100.0
63.21798	0.7
63.44355	0.8
63.99152	0.8
64.82421	0.7
69.03331	1.4
71.01273	7.2
71.59153	1.5
72.99194	1.0
73.02824	1.0
78.95795	1.0
79.95606	1.1
80.96408	2.3
82.73592	0.9
83.01263	1.2
85.02842	8.2
86.81326	0.8
89.02337	5.0
96.95907	0.9
97.02864	2.5
97.06490	2.5
98.15832	0.9
101.02345	4.5
109.06512	1.9
113.02406	4.3
119.03448	1.4
127.11169	1.2
131.24817	0.7
137.09637	2.4
160.57141	0.8
161.04495	2.7
171.10194	16.6
179.05594	1.0
183.13873	5.7
195.13870	2.6
197.11743	2.8
207.10228	3.5
209.11749	1.4
211.13367	10.2
212.13528	0.9
221.11876	0.9
225.11359	2.2
229.14455	5.4
235.08249	12.1
239.12831	0.9
248.52686	1.0
253.09319	26.3
254.09505	1.2
277.21771	75.6
278.22095	7.8
288.87555	0.9
291.19656	5.7
292.20178	0.9
293.21353	1.1
295.22876	9.5
306.12729	0.7
307.43716	0.8
309.20776	18.9
309.39969	0.8
310.20993	1.5
327.21835	68.9
328.22095	6.7
397.13275	1.4
513.30615	2.3
533.44366	0.9
545.29767	6.7
563.30908	7.9
587.43317	3.7
883.44641	5.0
884.45746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98715	3.3
66.78677	1.0
71.01261	14.0
72.99196	2.7
73.02833	2.5
78.95802	1.4
83.01305	1.7
83.04940	2.1
85.02841	4.8
87.00777	3.6
89.02336	11.2
97.02875	5.9
99.00751	1.8
100.48540	1.0
101.02343	12.7
101.33461	1.2
111.08036	2.1
112.98692	1.5
113.02361	6.9
115.00313	1.2
117.08562	1.3
119.03415	4.0
125.02373	4.3
125.09641	1.7
128.67735	1.1
137.09634	1.5
141.01624	7.2
142.99786	1.3
161.04489	4.5
163.11288	2.5
165.12901	2.7
171.10234	7.6
174.01634	1.4
178.84897	1.3
179.05595	3.6
181.12323	1.2
195.13893	8.6
197.11771	9.6
199.81171	1.3
201.11313	28.3
202.11760	1.8
205.12216	1.4
209.11812	44.0
210.12141	2.8
211.13361	6.2
223.13455	6.7
227.12778	6.8
235.08240	7.3
235.16963	1.7
247.20601	1.3
253.09328	30.0
255.23323	35.7
256.23663	4.7
273.18787	1.4
275.20154	6.6
277.21799	6.3
287.07544	1.5
289.47028	1.3
291.19730	26.6
292.20047	2.0
293.21292	100.0
294.21631	9.7
309.20767	65.5
310.21185	4.4
314.97000	1.3
379.12512	6.5
397.02997	1.2
397.13550	26.8
398.13818	2.6
415.14557	4.2
481.77704	1.3
490.86371	1.3
527.28723	2.0
529.29956	1.4
545.29645	3.7
546.30475	1.3
585.41589	5.4
607.26227	1.4
635.36328	1.4
653.37531	4.3
654.38226	2.0
837.47644	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98721	3.3
69.03349	1.1
69.95098	0.7
69.95497	1.3
71.01273	7.3
72.99213	0.6
73.02849	0.7
75.71133	0.4
81.03343	0.5
83.01299	0.5
83.04928	0.9
85.02870	1.7
87.00785	1.3
89.02332	4.9
95.01285	0.8
95.04952	0.7
97.02842	2.6
97.06537	0.5
98.19889	0.6
101.02340	6.2
111.08060	2.6
113.02377	2.8
113.09637	0.5
118.79044	0.5
119.03426	1.5
125.02419	0.6
125.09700	0.7
127.11256	0.5
137.09674	0.8
141.01663	1.8
143.03419	1.0
161.04521	2.0
162.04797	0.4
163.11244	1.3
165.12799	2.5
169.12274	1.4
171.10239	2.7
174.12146	0.4
179.05573	1.2
179.14398	1.1
181.12302	1.5
183.13855	0.7
188.74734	0.5
195.13887	7.6
196.14322	0.6
197.11826	16.0
198.12178	1.1
199.13403	0.8
201.11307	6.8
202.11723	0.7
205.12305	0.7
205.16139	0.5
209.11818	12.4
210.12170	0.5
211.13377	3.7
223.13380	5.4
224.13753	0.4
225.11320	0.5
227.12901	3.0
228.13634	0.7
235.08301	3.1
247.20625	1.9
253.09334	28.9
254.09694	1.0
255.23343	8.9
256.13205	1.1
256.23624	1.2
263.20193	1.2
265.18317	0.5
265.21713	0.8
273.18713	0.9
275.20233	6.4
277.21750	1.1
291.19736	23.5
292.20032	2.0
293.21301	100.0
294.21622	9.9
309.20779	60.5
310.21133	6.1
311.57349	0.4
379.12515	1.4
397.13614	7.1
415.14700	1.4
492.22269	0.5
527.28760	1.2
529.30115	2.4
530.30811	0.7
545.29846	3.6
585.41888	4.0
586.41473	0.6
599.25159	0.6
653.37274	1.2
881.50250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28896	1.3
61.98718	26.3
71.01254	9.4
71.04918	1.3
73.02821	1.5
80.96407	5.6
83.04931	5.9
85.02847	2.7
87.00784	3.1
89.02357	4.3
93.03314	1.5
94.97974	2.2
95.04918	2.4
97.02831	2.1
97.06510	3.7
98.20570	3.5
99.04389	1.5
101.02335	5.0
113.02342	3.1
115.07548	1.9
119.03470	2.1
121.06543	1.7
125.09666	4.3
127.07571	2.6
135.08086	2.7
153.09186	13.0
161.04509	2.3
163.11215	2.7
165.12758	3.0
171.10229	17.4
178.09903	2.7
185.11795	6.5
191.10826	1.6
191.14369	1.5
195.13759	1.4
197.11832	5.7
200.51730	1.3
209.11807	47.0
210.12155	2.6
211.13419	3.3
235.08145	3.1
237.44576	1.5
245.19148	3.7
249.14986	2.3
253.09319	16.6
267.16010	2.1
277.21793	100.0
278.22086	8.6
289.18097	18.3
290.18347	1.9
293.21280	4.1
295.22583	1.5
307.15683	3.1
307.19220	62.6
308.19632	4.9
309.20584	2.6
325.20261	46.2
326.20609	4.6
458.89951	1.7
525.26929	6.7
543.28198	22.9
544.28394	3.6
561.29352	6.2
585.41595	2.0
647.81812	1.5
660.17645	1.5
669.37610	1.5
734.42493	5.6
803.49481	23.3
804.50598	7.2
821.51007	6.8
822.51215	1.8
881.50555	7.5
882.51892	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	881.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	9.8
71.01266	7.0
72.99247	1.1
73.02841	1.3
75.00793	1.4
76.93674	1.1
78.95784	2.7
79.89778	1.4
80.96425	7.0
81.03293	1.3
83.04943	1.2
85.02838	2.2
87.00780	1.8
87.04416	1.4
87.90325	1.2
89.02326	2.7
94.97934	1.5
97.06525	1.5
98.20577	3.3
101.02374	3.5
109.06501	1.8
113.02400	1.7
116.92872	1.5
125.09621	1.6
153.09181	5.1
161.04475	1.9
171.10204	4.9
185.11903	1.5
197.11751	5.2
209.11830	13.1
211.13420	4.3
225.00784	2.5
235.08261	7.7
235.78993	1.3
237.15173	3.2
253.09283	13.2
277.21780	100.0
278.22150	10.8
289.18134	9.7
307.19193	24.0
308.19659	1.9
309.20303	1.3
325.20233	25.2
326.20621	2.9
513.30548	2.6
522.60388	1.5
525.27148	3.8
543.28186	4.5
597.37683	1.6
734.43237	2.8
797.13409	1.6
800.28101	1.7
803.49677	12.1
804.50366	3.5
821.50446	4.2
881.50177	9.0
882.49463	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	881.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	3.8
62.21848	1.1
69.43914	1.1
71.01257	6.0
71.04900	3.4
73.02820	2.1
78.95771	2.9
80.96413	3.5
83.04915	2.0
85.02827	2.6
89.02328	3.8
91.05423	1.3
97.02847	2.7
97.06483	2.6
101.02343	4.6
107.04937	1.2
109.06517	20.2
113.02342	3.9
125.05942	1.7
127.07576	2.7
132.40941	1.1
139.17915	1.1
161.04538	1.7
169.12286	4.3
181.12274	1.8
183.13863	1.8
196.07254	1.2
197.11795	33.0
198.12173	2.3
199.13304	1.6
209.11868	1.2
211.13397	16.8
225.00621	1.6
227.12929	2.3
229.40494	1.9
235.08258	5.8
235.13379	7.2
237.15010	2.4
241.01233	1.4
249.15088	1.9
253.09340	20.0
255.23486	1.4
277.21771	100.0
278.22055	9.8
289.18109	3.3
307.19147	8.3
325.20258	76.3
326.20483	6.1
429.07596	1.3
543.28326	3.5
561.29517	6.4
585.41681	2.3
854.84180	1.6
881.49744	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	879.514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	1.3
66.57734	0.6
69.03316	0.7
69.69931	2.5
69.70338	1.3
71.01271	9.9
71.04884	0.7
72.99199	0.8
73.02837	1.8
78.95793	0.9
83.01278	1.6
85.02849	1.4
87.00770	1.0
89.02331	5.3
89.15298	0.7
95.04949	1.1
96.95898	0.7
97.02850	2.0
97.06495	1.9
98.20566	0.7
99.00793	2.4
101.02351	7.0
101.13652	0.5
109.06493	1.4
113.02357	4.2
119.03387	1.6
125.02381	1.6
125.09676	3.4
135.08095	0.8
137.09648	1.2
141.01640	0.8
143.03340	0.6
151.11310	0.6
153.09042	0.6
161.04497	2.1
163.11221	4.8
165.12851	1.2
167.10759	0.9
171.10223	4.2
179.05588	1.4
179.10753	0.9
181.12340	2.8
185.11794	3.3
191.10652	0.8
191.14436	2.7
195.13878	8.2
197.11810	2.2
201.11287	2.8
205.12411	0.8
205.15999	1.0
207.10242	7.8
208.10625	0.6
209.11792	6.3
211.13359	0.9
223.13344	5.4
225.11322	12.8
226.11821	1.1
228.13562	0.9
235.08197	3.3
237.11398	1.3
243.12347	2.3
245.19089	7.3
246.19400	0.7
253.09329	19.3
254.09628	1.5
255.23297	14.7
256.13315	1.0
256.23706	1.3
263.20197	1.4
271.17203	0.8
275.20242	6.7
277.21765	1.0
289.18155	41.5
290.18433	3.1
291.19760	6.0
293.21292	100.0
294.21631	9.3
295.22745	1.6
305.17447	0.6
307.19226	36.1
308.19473	3.4
309.20709	3.1
326.44839	0.6
379.12396	1.0
397.13605	4.8
415.14551	0.7
445.21094	0.9
525.27045	2.1
529.30334	1.4
543.28339	1.7
583.40155	0.7
605.24603	2.5
623.25806	1.5
819.50055	1.2
861.48645	10.2
862.49329	1.9
879.49384	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	879.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	1.4
64.53523	0.5
69.03338	1.2
71.01271	7.5
73.02840	1.4
78.95777	0.8
81.03354	1.7
83.01260	1.9
83.04889	1.4
85.02850	1.7
87.00743	1.3
89.02345	4.4
95.01276	0.8
95.04945	1.2
97.02821	1.7
97.06520	3.7
97.07082	0.7
99.00758	1.0
101.02351	6.3
106.04154	0.7
109.06555	0.8
113.02335	4.0
113.09686	0.8
119.03415	1.3
121.06487	0.7
123.04383	1.4
123.08083	1.4
125.02367	1.4
125.09641	4.1
135.08093	1.0
137.06030	0.9
137.09650	2.5
143.03458	0.7
146.64043	0.6
149.96938	0.7
161.04520	2.1
163.11240	5.1
165.09132	0.7
165.44524	0.5
167.10718	0.7
171.10207	4.3
175.11194	0.7
177.12827	1.2
179.05574	0.9
179.14430	0.9
181.12306	1.8
185.11775	5.0
189.12888	0.7
191.14412	6.9
195.13887	8.3
196.14508	0.9
197.11836	0.8
201.11298	1.0
205.12294	1.0
207.10310	3.6
209.11812	11.0
211.13342	1.4
217.15994	1.3
221.11859	0.8
223.13383	6.1
225.11299	5.0
228.13678	1.1
235.08286	3.5
237.11343	3.5
243.12349	0.7
243.17607	0.7
245.19145	11.3
246.19441	1.3
253.09312	24.6
254.09708	1.3
255.23347	5.4
256.13113	1.0
263.20172	4.3
271.17035	2.4
275.20178	6.7
276.20444	0.8
277.21887	1.6
279.19843	0.9
289.18155	66.0
290.18439	5.0
291.19711	1.0
293.21292	100.0
294.21619	8.8
295.22717	2.8
305.17499	1.3
307.19211	58.5
308.19556	5.4
397.13531	2.6
507.26126	0.6
525.27161	2.9
529.30615	1.5
543.28461	3.0
583.39886	0.6
766.76849	0.6
819.49011	2.3
879.48480	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	877.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	0.3
66.57085	0.3
68.99681	0.3
69.03344	4.4
69.23985	0.3
70.35608	1.3
71.01270	11.7
71.04895	1.3
72.01598	0.3
72.99190	1.6
73.02834	1.9
75.00755	0.3
81.03339	0.8
83.01260	1.4
85.02846	2.6
85.99987	0.3
87.00771	2.4
89.02335	8.4
95.01287	0.8
96.95895	0.3
97.02847	2.0
97.06478	0.7
99.00765	1.0
101.02345	8.3
108.02108	0.4
109.02844	0.5
111.04455	0.5
113.02362	2.9
116.92751	1.4
119.03439	1.9
121.02859	0.7
123.08045	0.9
125.02364	1.8
125.09612	1.8
137.09625	0.4
141.01868	0.4
143.03447	0.9
144.41695	0.3
149.09709	0.4
151.11189	1.8
153.12773	0.9
161.04459	1.1
161.09624	2.1
169.12283	0.6
179.05545	0.5
179.10768	5.3
185.47421	0.4
197.11819	32.2
198.12175	1.3
209.11790	0.8
221.06622	1.3
223.09715	1.1
235.08180	1.0
241.10883	1.9
255.23335	40.3
256.23718	3.2
291.19876	0.4
301.49191	0.3
335.33984	0.3
397.13586	1.9
859.47308	0.4
865.31653	0.4
877.48199	100.0
878.48529	25.0
878.66205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98740	0.4
69.03342	0.6
71.01270	3.9
71.04901	1.7
71.26714	0.6
71.27070	0.8
73.02833	0.5
73.15894	0.4
82.65981	0.4
83.01254	0.8
83.32878	0.4
85.02830	1.0
87.00786	0.5
89.02346	2.8
95.01305	0.6
95.04919	1.5
98.11617	0.4
101.02345	4.9
102.71834	0.4
109.06489	1.1
111.04407	0.6
112.38531	0.4
113.02370	1.7
113.09607	0.7
116.92809	2.4
117.92759	0.7
119.03452	0.7
119.63131	0.4
122.03618	0.6
125.02381	0.9
129.63615	0.4
161.04494	1.3
161.09694	0.5
165.09145	1.2
171.10226	1.4
179.05592	0.8
179.10678	0.5
179.14381	0.5
179.36360	0.4
189.12769	1.1
193.31546	0.4
195.13892	7.9
196.14223	0.5
205.15938	1.1
223.09790	1.5
223.13362	5.3
228.13667	1.0
235.08228	1.3
243.17603	1.2
253.09312	17.2
254.09686	0.7
255.23410	2.5
256.13116	1.3
275.20221	6.4
276.20425	0.5
287.16605	8.7
288.16925	0.7
293.21295	100.0
294.21616	7.1
305.17661	18.9
306.17938	1.6
397.13565	1.2
462.01572	0.5
492.22281	0.5
523.25470	0.6
529.30188	2.3
541.26740	0.7
569.42377	0.7
726.07928	0.4
817.48413	0.6
859.46149	0.6
877.48712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.5
69.03343	1.5
71.01266	17.1
71.04897	2.7
72.01590	0.9
72.49284	0.5
72.99184	1.7
73.02826	2.7
78.95766	0.7
81.03326	0.9
83.01283	1.8
83.04881	1.0
85.02850	4.9
87.00785	3.5
89.02343	9.2
95.01290	1.4
95.04939	0.7
96.95951	0.7
97.02856	5.2
97.06479	2.4
99.00784	12.4
101.01714	0.8
101.02347	11.5
107.00709	0.7
109.06477	1.8
110.03649	0.6
113.02354	5.0
115.10496	0.7
116.92757	1.7
119.03410	2.9
123.08077	1.2
125.02383	3.0
125.09668	5.2
135.08055	1.1
141.01654	0.8
142.02736	0.7
143.03409	0.8
147.09055	0.7
161.04494	2.6
163.11243	7.5
164.11549	0.7
171.10220	4.6
178.40572	0.6
179.05626	0.9
181.10811	0.9
181.12309	11.9
182.12659	0.9
195.13901	0.9
197.11765	0.6
199.13373	8.4
201.11292	2.8
205.49271	0.7
207.10246	24.9
208.10464	1.3
221.06725	1.5
223.13390	0.8
225.11333	35.6
226.11745	1.7
235.08195	2.3
243.12387	9.5
244.12558	0.6
253.09206	3.2
255.23326	49.8
256.23709	5.2
275.20319	1.3
289.18143	2.4
291.19757	7.1
293.21301	8.9
294.21646	5.3
295.21936	1.7
307.19019	1.7
309.20966	3.0
379.12579	1.2
397.13651	8.1
415.14667	1.1
439.14410	0.8
488.71225	0.8
570.02405	0.7
605.24469	2.6
623.25427	1.7
819.47949	0.7
861.48859	10.4
862.49463	2.7
879.49817	100.0
880.50085	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	877.39
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	1.2
63.50888	0.3
69.41325	2.9
71.01271	5.2
73.02831	1.8
80.04961	0.7
83.01288	0.7
85.02824	2.1
85.99973	0.4
87.00780	0.5
89.02328	1.0
92.44225	0.3
94.06535	2.0
95.01302	0.7
95.60987	0.3
96.95899	0.9
99.00784	0.7
99.48605	0.3
101.02353	3.7
106.06527	1.4
107.03683	7.2
108.04472	0.4
113.02346	1.8
116.05000	0.4
118.76825	0.3
119.04988	0.4
120.04462	1.2
120.08099	0.7
121.05331	0.4
122.06041	40.3
123.06390	1.6
124.07565	0.5
132.04492	0.9
134.06039	6.9
135.04483	0.6
136.07602	0.8
139.02701	2.8
150.05565	1.6
152.07115	64.7
153.07440	2.3
153.14407	0.3
158.02365	0.5
159.02950	0.4
160.03973	0.9
161.04509	1.0
166.05040	0.4
171.10275	0.6
173.04539	0.7
174.05531	0.4
175.03981	0.5
190.05051	1.8
191.05586	0.6
193.05043	0.7
199.05055	0.4
209.07137	0.7
209.11844	0.7
210.07915	0.7
211.08778	2.3
213.06673	0.4
213.10313	1.4
214.38518	0.4
215.11884	2.3
223.08745	1.8
224.09529	1.4
225.10316	2.8
226.10751	0.4
227.11848	0.8
235.08754	0.6
236.05852	1.6
237.06689	3.5
237.10336	1.2
238.11238	0.6
239.08250	0.5
239.11902	1.1
240.63998	0.3
241.09909	0.4
241.13541	0.7
243.87556	0.4
245.13086	0.4
249.10435	0.4
250.07539	1.5
251.08308	4.7
251.11665	1.6
252.09042	0.8
253.09660	0.9
261.10397	0.5
263.08414	1.7
263.12094	0.7
264.09091	1.3
265.09814	3.9
267.11371	0.6
269.09277	0.4
269.12979	0.7
276.09479	0.4
277.09756	1.6
278.10638	1.2
279.11423	2.3
280.12271	0.4
283.10922	2.7
291.07773	1.0
291.11325	0.7
293.09509	0.4
295.11002	1.1
305.09390	1.7
306.10251	0.6
306.16428	0.5
307.10916	1.5
307.19113	0.4
319.10947	0.6
323.10468	0.6
325.11871	0.5
328.11118	0.9
328.14700	0.5
329.11780	0.5
330.12454	1.2
330.16083	0.5
331.13235	0.6
332.14261	0.7
337.12149	0.9
338.12680	0.9
339.13522	3.5
342.12564	1.1
342.16278	0.7
343.13602	0.4
344.14206	1.7
345.14813	1.2
346.15540	1.9
351.13574	0.7
355.13229	1.7
356.10297	0.9
356.14124	0.7
358.11963	1.6
358.15686	1.4
359.16449	1.3
360.17407	1.8
365.11481	0.6
369.15100	0.4
370.11993	0.9
371.12717	1.3
372.13455	2.6
372.17368	0.4
373.14215	1.6
374.15091	1.5
375.15640	0.4
383.12262	0.5
384.13184	0.8
384.17361	1.9
385.14401	1.4
386.15063	5.0
386.19629	0.4
387.15668	1.2
388.16803	0.8
396.17365	0.5
398.15198	0.9
399.15933	1.0
400.16705	1.2
401.17282	0.4
402.14267	2.1
403.14951	0.6
404.16052	0.6
412.12766	1.0
412.17410	0.6
416.15894	0.7
417.16913	0.8
418.17737	0.8
427.15549	0.5
428.16129	3.1
429.16629	0.7
430.17706	1.1
440.16156	1.7
448.18814	1.4
458.17062	0.4
459.18179	1.7
460.18881	5.1
461.19257	0.8
470.17996	0.5
471.17978	0.5
472.18875	1.5
473.19089	0.6
482.47452	0.5
483.24323	0.4
495.20578	0.6
502.20117	1.9
503.20605	1.1
504.21506	4.7
505.21716	0.7
511.23715	1.0
521.25293	0.7
523.20221	1.1
525.25397	0.7
538.22095	0.4
539.23230	0.5
549.24976	0.7
551.23254	1.8
552.23828	0.9
570.24677	0.8
571.25848	2.4
593.24219	5.5
594.24530	1.0
597.26642	0.6
611.24805	0.4
625.26801	100.0
626.27112	19.7
643.28284	1.0
682.29590	0.6
722.29193	0.5
754.31738	0.7
755.33209	0.5
756.33862	0.8
757.33142	0.4
803.35260	1.1
804.35541	1.0
845.36279	3.7
846.36859	1.0
877.38934	31.2
878.39209	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	877.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	1.0
68.20853	0.3
68.21697	0.3
70.74890	0.6
70.75257	0.6
71.01267	6.5
72.99205	0.4
73.02827	1.9
75.00764	0.7
75.49960	0.3
78.95779	0.5
80.04948	1.0
83.01283	1.0
85.02839	3.0
87.00786	0.5
89.02340	1.0
93.03382	0.3
94.06519	2.4
95.01289	0.8
96.95910	0.9
99.00800	0.8
101.02345	4.1
104.04957	0.5
106.06512	1.4
107.03673	8.2
108.04424	0.4
112.87731	0.3
113.02352	2.2
118.04504	0.3
120.04465	1.2
120.08125	0.9
121.05296	0.3
122.06036	44.3
123.06390	1.1
124.07600	0.4
129.15613	0.3
130.53061	0.3
132.04477	1.0
132.12698	0.3
133.02866	0.4
134.03697	0.8
134.06038	7.6
135.04478	0.3
135.48962	0.4
136.07600	0.9
138.05569	0.3
139.02684	3.8
140.02994	0.3
148.03979	0.5
150.05536	2.0
152.07112	64.9
153.04292	0.4
153.07449	2.2
158.02345	0.6
160.01630	0.7
160.03999	1.1
161.02344	0.6
161.04498	1.5
166.05032	0.7
171.10240	0.6
172.07632	0.3
173.04568	0.8
174.05576	0.5
175.03963	0.9
186.05527	0.3
190.05055	1.5
191.05603	0.4
193.05107	0.6
197.07095	0.3
200.03641	0.3
209.07120	0.6
209.11821	0.9
210.07948	0.7
211.08719	2.2
211.13168	0.3
213.06714	0.4
213.10304	1.5
215.11893	2.4
221.10852	0.4
222.08057	0.5
223.08745	2.5
224.09494	1.5
225.10345	2.8
227.11871	0.9
235.08722	0.5
236.05978	1.2
236.09653	0.6
237.06676	3.5
237.10294	1.6
238.07367	0.7
238.11067	0.4
239.11932	1.3
241.13591	0.8
245.13048	0.3
247.07584	0.6
248.09612	0.4
249.06870	0.6
249.10387	1.0
250.07420	1.5
251.08266	5.0
251.11667	1.8
252.08968	1.0
253.09772	1.1
261.10434	0.8
263.08414	1.9
263.11954	0.9
264.09125	1.8
265.09799	3.6
266.10413	0.6
267.11612	0.5
269.13062	0.9
277.10025	1.9
278.10458	0.7
279.11447	1.8
281.12820	0.4
283.10916	3.0
285.12598	0.7
287.14130	0.5
291.07565	0.9
291.11301	0.5
292.08578	0.4
292.11993	0.4
293.12988	0.5
295.10818	0.9
297.12326	0.4
300.11987	0.4
305.09479	0.8
306.10132	0.4
307.10959	2.2
307.19244	0.4
309.12534	0.3
315.10257	0.3
316.11023	0.5
316.14310	0.4
318.16104	0.4
319.10876	1.2
323.10327	1.0
324.10947	0.4
325.12024	0.9
328.10922	0.6
330.12537	1.8
330.16165	0.6
331.13333	0.8
332.13998	0.8
337.12112	0.6
338.12750	0.5
339.13559	3.4
342.12357	1.0
342.16068	0.8
343.13217	0.6
344.14166	1.9
345.14844	0.9
346.15808	2.6
351.13043	0.4
355.13123	1.6
356.10165	0.4
356.14154	0.7
358.12103	1.7
358.15210	1.4
359.16431	1.4
360.17160	1.6
370.11929	1.4
371.12766	1.0
372.13522	2.2
372.17477	0.8
373.14160	1.8
374.15103	1.7
383.12717	0.4
384.13092	0.5
384.17517	1.6
385.14395	1.1
386.15079	4.8
387.15536	0.8
388.16861	0.6
396.17297	0.7
398.15121	1.2
399.15952	0.7
400.16669	1.3
401.17673	0.5
402.14209	1.6
404.16135	0.7
406.17920	0.4
412.12482	0.7
412.17197	0.7
414.18262	0.6
416.16309	1.2
417.16919	0.9
427.15103	0.4
428.16046	2.9
429.16788	0.6
430.17859	1.3
440.16220	1.9
448.18835	1.7
456.46426	0.3
459.17798	1.7
460.18814	5.9
461.19217	0.9
470.17380	0.3
472.18710	2.1
502.20200	1.8
503.20682	1.2
504.21664	3.2
511.23370	0.8
521.24976	1.3
523.20105	0.9
525.25110	1.1
538.22449	0.8
539.22919	0.6
549.25153	0.7
550.22394	0.3
551.23071	2.8
552.23486	1.0
570.25116	0.9
571.25641	3.0
572.25616	0.6
593.24158	7.3
594.24603	1.3
597.27405	0.9
625.26782	100.0
626.27100	20.5
643.27942	1.0
682.29736	0.6
754.31879	0.7
755.33185	0.5
756.33264	0.6
803.35406	1.3
804.36749	1.1
845.36542	4.1
846.36951	0.7
877.38879	31.5
878.39362	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	875.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	0.4
69.03339	0.5
71.01272	0.8
71.52464	0.2
71.57906	0.2
71.58285	0.3
74.09095	0.2
83.04916	0.5
84.02039	0.2
85.02855	0.6
89.02393	0.2
93.03413	0.2
96.95900	1.3
99.08053	2.7
101.02334	0.4
114.74045	0.2
119.03413	0.2
125.09638	0.8
127.11222	1.5
129.09192	0.3
139.11232	1.7
145.02896	0.6
149.06018	0.2
152.07103	0.3
155.10793	0.4
155.14342	0.6
160.01634	0.2
161.02457	0.3
161.04420	0.2
162.01498	0.2
163.11226	0.3
165.12781	0.4
167.14343	0.8
171.10226	5.2
172.10594	0.2
173.04472	0.5
183.13869	3.5
184.14259	0.2
193.12262	1.2
197.11830	0.4
199.13387	0.4
209.11812	2.6
210.12132	0.4
211.13391	22.0
212.13722	1.4
227.12917	0.5
229.14461	14.4
230.14815	0.7
234.75121	0.3
253.09300	0.6
291.19604	0.3
293.21277	0.8
307.19214	0.2
309.20715	0.7
311.22260	0.8
325.20200	0.3
329.23389	100.0
330.23727	9.5
422.28699	0.2
875.38629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	2.9
69.03357	0.3
69.88387	1.5
71.01276	0.8
73.02820	0.5
78.95754	0.3
83.04917	0.6
84.02071	0.2
85.02829	0.6
87.04409	0.5
89.02363	0.2
93.03344	0.3
96.95913	3.7
97.06484	0.7
98.03648	0.6
102.61923	0.2
113.09634	11.9
114.10000	0.4
123.04419	0.3
123.08083	0.6
125.06011	0.4
125.09639	5.4
127.11216	5.8
128.11572	0.5
134.03632	0.3
135.08070	0.3
137.02374	1.9
137.09637	1.7
139.11224	0.8
141.09134	1.5
143.10779	0.3
151.11259	1.8
152.07068	0.3
153.09158	0.9
155.10710	2.2
157.12314	0.4
165.09160	2.1
167.10727	0.4
169.12309	0.6
171.10237	5.4
173.04561	0.5
177.09215	0.6
183.10265	1.0
185.11810	0.3
191.05557	0.3
195.10271	2.7
199.09775	1.7
201.11308	43.6
202.11662	2.5
209.11819	0.3
211.13394	0.6
213.11322	26.3
214.11729	1.3
227.12987	0.9
247.20741	0.7
291.19745	5.5
292.19943	0.4
309.20761	6.8
310.21039	0.7
311.63553	0.2
325.20273	0.3
327.21841	100.0
328.22189	8.9
625.27130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	0.9
69.03348	0.9
70.17207	0.7
71.01259	1.0
71.04924	0.5
72.02062	0.3
73.02827	0.5
80.02563	0.7
81.03333	0.3
83.04919	1.0
84.02050	0.4
85.02852	0.8
87.04414	0.7
89.02312	0.1
93.03387	0.3
94.73701	0.1
95.04922	0.4
96.95902	0.7
97.06494	1.6
98.03646	0.2
101.02349	0.3
107.04939	0.2
107.08540	0.1
109.06496	0.4
110.03648	0.6
111.08067	9.2
112.08398	0.4
113.02328	0.2
115.07563	0.2
116.92771	0.4
119.08523	0.2
121.02859	0.7
122.06086	0.2
123.04421	0.3
123.08088	1.8
125.06009	0.6
125.09644	13.8
126.09976	0.4
127.11209	5.2
128.11548	0.2
134.03648	0.2
135.04521	0.2
135.08055	1.0
137.09651	4.5
139.11182	1.0
141.09163	1.3
141.12825	0.2
143.10706	0.3
147.08151	0.2
149.09653	0.5
151.07542	0.3
151.11247	2.8
153.09146	2.5
155.10716	2.2
155.14267	0.1
157.12308	0.5
164.08366	1.5
165.01903	0.3
165.09155	2.1
167.10719	0.5
169.08603	0.6
169.12254	0.8
171.10223	8.3
172.10567	0.4
173.04607	0.3
175.03999	0.2
177.09200	0.4
177.12755	0.3
181.12315	0.2
183.10284	0.9
185.11804	0.3
187.09755	0.3
190.09833	0.1
193.12169	0.2
195.10228	2.7
196.10484	0.2
197.11833	1.3
199.09769	1.6
199.13371	0.4
200.10168	0.2
201.11301	41.4
202.11659	2.2
209.11861	0.5
211.13403	1.0
213.11316	27.6
214.11629	1.5
227.12926	0.9
237.15009	0.4
238.12138	0.2
245.19112	1.4
250.12206	0.7
252.13512	0.2
253.09338	0.6
255.16086	0.6
256.13187	0.2
263.20242	0.4
266.60992	0.2
271.17133	0.4
273.15311	0.2
279.19708	0.4
281.21042	0.2
289.18164	9.6
290.18512	0.8
307.19217	21.5
308.19525	2.0
309.20718	1.2
325.20255	100.0
326.20593	10.0
326.24594	0.3
345.84564	0.2
404.05344	0.1
568.80304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72621	0.2
61.98717	9.1
69.03339	0.2
71.01271	1.4
71.56042	0.3
71.56448	0.2
72.99203	0.3
73.02826	0.2
76.28120	0.2
78.95816	0.3
83.01281	0.3
84.04447	0.2
85.02858	0.6
87.00782	0.4
87.25749	0.2
89.02357	0.9
89.03860	0.3
93.03380	0.2
96.95915	0.6
97.02832	0.3
101.02355	0.7
104.02612	0.3
109.02886	0.3
113.02372	0.6
117.03379	0.6
118.46342	0.2
119.03438	0.4
119.04963	0.3
121.74446	0.2
125.02363	0.4
132.02098	26.9
133.02805	1.4
134.03668	12.1
135.04399	0.8
137.02386	0.5
139.03952	0.3
145.02866	0.3
147.04498	0.3
148.05225	0.3
149.06021	1.9
152.07162	0.3
153.01900	0.2
159.04427	0.4
160.01607	99.2
161.02104	6.0
173.02325	0.3
173.04585	0.5
174.03160	0.2
175.03963	100.0
176.04308	5.6
178.02649	1.9
179.03413	0.7
187.03961	0.3
188.04794	0.3
191.07132	0.4
193.05037	10.6
194.05437	0.4
207.06554	0.3
209.11879	0.4
217.05093	1.2
235.06129	0.6
247.06169	0.6
265.07236	0.9
319.08133	0.5
333.07980	0.2
337.09299	0.7
355.10422	0.3
499.14688	1.6
513.14044	1.9
517.15863	2.0
675.19354	4.8
676.19727	0.7
693.20465	15.0
694.20953	2.7
798.44440	0.2
833.37213	0.2
869.25073	9.8
870.25287	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	871.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.5
71.01266	15.9
72.99187	2.1
73.02811	2.7
82.97701	0.7
83.01274	1.8
83.04899	0.9
85.02825	5.0
87.00757	3.1
89.02330	13.2
91.06989	0.8
92.56037	0.7
95.01276	1.9
97.02855	2.3
97.06469	3.8
101.02339	10.7
101.81788	0.6
103.00272	0.7
113.02358	5.0
114.93286	1.1
118.93956	0.8
119.03400	2.0
125.02343	3.2
131.03409	1.3
133.05003	0.8
143.03325	0.7
151.11224	11.5
161.04506	2.1
169.12286	70.3
170.12646	3.6
179.05443	1.0
213.11299	9.8
221.06653	3.0
235.08208	1.1
277.21790	17.6
277.24829	0.9
278.22086	1.2
397.13339	1.7
506.62302	0.7
593.24609	1.6
611.25305	1.8
871.47113	100.0
872.47424	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	100.0
62.98417	0.1
62.99117	0.0
67.35169	0.1
69.80791	0.3
71.01285	0.1
78.95844	0.1
96.95930	0.2
98.19798	0.1
119.19032	0.1
197.10207	0.0
209.11827	0.1
238.18100	0.0
241.94760	0.0
329.93161	0.0
359.62692	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	100.0
62.05616	0.0
62.98430	0.1
62.99155	0.1
71.01291	0.1
79.95625	0.1
80.96414	0.1
89.02386	0.1
91.82023	0.1
93.64314	0.0
94.98042	0.0
101.02370	0.1
176.10977	0.0
192.55786	0.0
195.13837	0.1
196.14273	0.1
253.09302	0.2
254.09724	0.2
255.09853	0.1
276.20593	0.0
277.21652	0.1
293.21277	1.1
294.21637	1.1
294.24750	0.1
295.21866	0.5
296.22220	0.2
531.30670	0.1
809.42743	0.0
869.48022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55298	0.6
61.98708	1.9
63.96100	0.5
67.01765	0.6
69.03343	0.9
71.01263	4.6
72.70404	0.5
75.58524	0.5
79.95590	1.4
80.96410	5.8
83.01289	0.8
84.02063	0.6
84.46189	0.6
85.02824	1.1
87.00782	1.2
89.02321	2.6
94.97981	1.6
97.02838	4.4
97.06487	0.9
101.02326	3.1
109.06499	0.7
113.02360	1.9
134.59760	0.6
134.97571	0.7
137.09657	1.7
138.71004	0.6
141.00766	0.5
161.04488	1.6
163.11230	0.7
164.98566	0.7
165.12808	1.6
171.10237	3.8
181.12357	0.7
183.13864	1.5
195.13887	1.9
196.14362	0.7
206.99805	0.6
211.13388	1.7
221.11743	0.8
225.00662	2.0
225.14905	0.9
227.12886	1.1
233.15475	0.7
235.08229	7.4
247.20610	1.3
251.16580	0.7
253.09331	16.9
254.09694	0.9
277.21774	100.0
278.22122	8.3
291.19727	24.5
291.23129	0.8
292.20016	2.1
309.20767	61.0
310.21112	5.0
465.38416	0.8
513.30914	1.4
522.44989	0.6
527.28577	1.3
545.29846	2.7
569.42413	0.8
577.01337	0.7
630.46130	0.6
677.76715	0.8
865.49963	9.7
866.50415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99198	0.3
61.98718	100.0
62.98422	0.2
71.01292	0.3
71.58170	0.2
72.99202	0.3
78.95811	0.1
88.98714	2.0
96.95905	0.7
101.02377	0.3
116.18609	0.1
135.04482	0.2
152.07108	0.2
155.50964	0.2
173.04594	0.2
191.05606	0.2
191.67206	0.1
201.32184	0.1
370.37686	0.1
405.29507	0.1
504.09082	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	867.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58442	0.5
61.98710	1.8
69.03349	1.6
70.81592	1.3
71.01271	18.3
72.99187	1.4
73.02847	2.2
78.63121	0.5
78.95798	1.1
80.96407	1.0
81.03346	0.8
83.01283	1.3
85.02845	4.7
87.00778	4.9
89.01822	1.1
89.02342	14.9
93.04391	0.6
95.01276	1.2
97.02860	3.7
99.00777	1.3
101.02345	14.5
104.22933	0.6
109.02872	0.6
113.02361	7.7
119.03449	4.3
125.02370	8.7
127.11216	1.9
131.03473	0.7
133.04956	0.7
143.03490	2.7
153.09093	0.9
161.04524	4.2
171.10223	100.0
172.10583	4.2
179.05556	3.7
195.13882	3.1
197.11826	1.0
211.13445	1.0
217.07219	1.6
221.06615	1.0
235.08240	5.7
253.09341	7.8
255.23332	67.4
256.23602	4.3
259.08304	1.3
277.21808	6.7
287.07773	2.3
293.21280	12.4
293.24500	0.9
295.22882	20.1
296.23270	1.0
297.24237	0.8
301.43341	0.6
305.08899	2.5
309.20825	1.1
323.10013	1.0
379.12534	22.1
380.12973	1.4
397.13583	40.6
398.13980	4.0
415.14636	5.6
416.14761	0.6
551.23627	6.6
569.24530	3.8
571.43927	1.1
635.36584	4.6
653.37592	7.5
654.38733	0.7
782.99463	0.6
793.53931	1.6
794.50171	4.7
807.47852	0.8
867.46680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	100.0
69.03354	0.3
71.01276	0.5
71.28497	0.1
71.29665	0.2
78.95805	0.1
83.01302	0.2
85.02851	0.3
87.87040	0.1
89.02362	0.4
93.03378	0.2
94.06540	0.2
96.95900	0.3
101.02351	0.3
107.03702	0.3
113.02357	0.3
114.24520	0.1
120.08113	0.2
122.06032	2.4
122.06864	0.2
132.04474	0.1
134.03679	0.2
134.06027	0.6
152.07117	4.5
160.01645	0.2
162.05582	0.1
173.04544	0.5
175.03932	0.2
191.05588	0.3
193.04987	0.1
225.10445	0.2
237.06807	0.2
237.10338	0.1
239.11961	0.2
251.08286	0.2
263.08243	0.1
265.09888	0.3
279.11563	0.5
307.10849	0.2
323.10211	0.1
325.11963	0.2
339.13635	0.2
355.13449	0.2
360.17111	0.2
371.12912	0.2
386.15237	0.3
390.68655	0.1
397.50159	0.1
402.18448	0.4
428.16095	0.2
430.17853	0.1
444.19739	0.1
448.18845	0.4
460.18857	0.7
472.18808	0.2
488.18314	0.2
503.20569	0.2
504.21790	0.4
520.21338	0.3
525.25995	0.1
567.26288	0.2
570.25159	0.2
593.24225	0.2
611.25336	1.1
612.25842	0.3
625.26776	6.4
626.27252	1.3
643.27924	7.2
644.28046	1.3
685.28894	3.8
686.29376	0.8
690.64258	0.1
715.30383	0.4
716.30975	0.2
745.31256	1.5
746.31775	0.6
763.03894	0.1
830.94775	0.1
869.38794	0.2
899.05005	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	858.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46188	1.7
61.98702	3.7
66.01842	1.7
66.78656	1.4
70.95156	2.6
71.01276	6.2
85.02818	1.8
87.00748	2.0
89.02333	3.8
90.50031	1.4
101.02319	3.0
121.02856	9.7
122.03678	2.1
135.04411	3.1
138.05493	2.1
146.03729	1.8
147.04393	7.2
151.06331	8.4
151.75533	1.6
152.07100	9.2
159.04477	9.8
174.05489	7.7
175.03983	3.4
175.06345	84.6
175.57918	1.6
176.06715	3.0
183.13898	5.4
189.05511	7.6
193.12273	2.7
197.11798	2.0
203.07053	8.3
211.13380	86.6
212.13799	4.8
219.09023	34.5
221.11943	1.7
253.09332	5.5
254.09569	1.6
277.21777	56.1
278.22131	3.8
300.12781	3.0
300.16138	62.3
301.16531	3.8
311.22128	3.7
316.19000	2.3
318.17218	14.3
326.17630	4.0
327.21817	2.0
344.18710	79.6
345.18973	7.1
362.19864	18.3
363.19870	1.9
434.80173	2.0
436.23325	2.1
447.22180	7.7
513.30945	2.4
580.27869	2.5
598.28717	26.8
599.29639	2.5
651.96368	1.7
707.44617	3.3
814.48718	10.7
814.61810	1.7
815.46802	3.3
858.50305	100.0
859.34320	2.8
859.50458	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66902	0.2
61.98716	0.7
69.03342	0.4
70.35070	0.2
71.01272	5.6
71.58691	0.3
72.99194	0.4
73.02834	2.0
73.53897	0.2
75.00768	0.2
78.38658	0.2
78.72802	0.2
80.04948	1.3
83.01262	1.1
85.02845	2.6
87.00776	0.5
89.02348	0.6
89.63596	0.2
92.04943	0.4
93.03371	0.3
94.06532	2.9
95.01306	0.5
96.95913	0.4
97.02850	0.2
99.00781	0.8
101.02351	4.2
104.04979	0.6
106.06537	1.5
107.03677	8.3
108.04446	0.5
108.78627	0.2
111.00793	0.2
113.02349	2.0
118.06540	0.2
118.70467	0.2
120.04469	1.3
120.08097	1.3
121.05240	0.6
122.06039	47.4
123.06369	1.2
124.07614	0.8
125.02377	0.2
132.04482	0.8
134.06050	8.8
135.06470	0.3
136.07602	1.2
139.02686	3.9
143.03441	0.2
146.06052	0.3
148.03951	0.5
148.07593	0.4
149.04736	0.3
150.05539	2.0
152.07114	70.4
153.07463	2.9
158.02402	0.3
158.06049	0.3
159.02916	0.3
160.03992	0.8
161.04561	1.5
161.07152	0.2
162.05565	0.6
166.05052	0.5
172.07658	0.2
173.04581	0.5
174.05621	0.6
176.03481	0.3
176.07178	0.3
185.10855	0.3
186.05600	0.3
190.05028	1.8
191.05565	0.4
192.06717	0.2
197.07166	0.5
200.07234	0.3
200.09378	0.3
202.05080	0.3
209.07188	0.5
209.11790	0.3
210.07948	0.8
211.08742	2.2
212.05830	0.3
213.06793	0.3
213.10265	1.1
214.04817	0.2
215.11877	2.8
221.10747	0.5
222.07988	0.3
223.05061	0.5
223.08739	2.2
224.09488	2.1
225.06773	0.3
225.10376	2.7
226.07523	0.2
226.10825	0.4
227.08315	0.2
227.11894	0.8
234.07935	0.2
235.08739	0.5
235.12561	0.3
236.05862	1.0
236.09529	0.5
237.06718	3.7
237.10182	2.3
238.07422	0.7
238.11081	0.5
239.11768	1.4
241.13553	0.8
243.15065	0.3
245.12987	0.6
248.09650	0.3
249.06715	0.8
249.10406	1.3
250.07396	2.0
251.08295	5.6
251.11987	0.9
252.08881	1.0
253.09871	0.8
253.13510	0.3
261.10352	0.7
262.10846	0.4
263.08276	2.8
263.11902	0.8
264.09067	2.6
265.09848	4.4
266.10361	0.5
267.11407	0.7
269.13089	1.1
270.10071	0.3
275.08142	0.3
276.08911	0.3
277.06870	0.3
277.09860	1.8
278.06696	0.2
278.10550	0.7
279.08286	0.3
279.11438	2.2
280.12009	0.4
281.09512	0.3
281.12933	0.6
283.10944	2.5
284.11530	0.3
285.12473	1.3
287.14185	0.4
290.10519	0.3
291.07806	1.1
291.11398	0.7
292.08496	0.6
292.11942	0.4
293.09329	0.7
293.12808	0.5
295.11038	1.2
295.14090	0.3
296.11523	0.4
297.12500	0.4
301.12888	0.3
304.08698	0.3
305.09396	1.6
305.12567	0.3
306.10291	0.3
306.16055	0.5
307.11041	2.2
308.11496	0.3
313.12140	0.3
314.13113	0.4
315.13947	0.2
316.10608	0.2
318.16150	0.8
319.10889	1.2
321.12601	0.3
323.10413	0.7
324.11157	0.5
325.11920	0.9
328.10922	0.8
328.14578	0.3
329.12009	0.3
330.12527	1.0
330.16232	0.7
331.13208	0.5
332.14148	0.8
337.11948	1.0
338.12781	0.4
339.13589	4.0
340.13947	0.6
341.11823	0.3
342.12573	0.9
342.16153	1.1
343.13223	0.5
344.14127	2.0
345.14856	1.4
346.15695	2.7
347.16452	0.5
351.13580	0.4
354.12674	0.4
355.09302	0.2
355.13187	2.3
356.10391	0.6
356.14182	0.6
357.11121	0.4
357.15173	0.4
358.11935	1.8
358.15802	2.2
359.12585	0.3
359.16443	1.2
360.17203	2.3
365.11618	0.3
368.14182	0.5
369.14954	0.5
370.12042	1.5
370.16055	0.4
371.12576	1.1
372.13516	2.4
372.17371	0.8
373.14294	1.5
374.15128	1.2
376.16696	0.4
377.11557	0.3
382.11813	0.4
384.13437	0.9
384.17654	1.9
385.14166	1.4
386.15167	4.7
386.19751	0.4
387.15686	1.1
388.16806	0.5
389.17639	0.3
390.18390	0.5
396.17407	0.5
398.15277	1.4
399.15903	0.9
400.16592	1.6
401.17365	0.4
402.14014	1.4
402.18991	0.5
404.16171	0.9
405.16751	0.4
406.17804	0.5
412.12985	1.0
412.16858	1.1
413.17661	0.3
414.18619	0.5
416.16226	0.9
417.17169	1.0
418.17950	0.5
425.13766	0.3
426.18857	0.2
427.14960	0.3
428.16110	3.1
429.16727	0.7
430.17545	1.1
431.18234	0.4
440.16370	1.9
441.17160	0.4
443.18393	0.3
448.18942	1.9
449.19449	0.4
456.15881	0.5
459.18170	1.6
460.18866	5.8
461.19220	1.0
465.18503	0.2
470.17203	0.5
471.17786	0.5
472.18900	1.4
479.20920	0.3
483.24295	0.3
490.20010	0.3
502.20087	2.1
503.20663	1.3
504.21533	4.0
504.28015	0.1
505.22119	0.6
507.23807	1.5
510.22760	0.5
511.23627	0.6
523.19446	1.4
525.25098	1.0
538.22357	0.3
549.24969	1.0
551.23041	2.0
552.23889	1.3
565.24213	0.4
570.25214	1.0
571.25751	3.3
572.26019	0.6
583.25641	0.4
593.24182	8.5
594.24731	1.4
597.27545	0.8
611.24963	0.9
625.26782	100.0
626.27106	20.6
643.27637	1.3
667.26959	0.3
668.28992	0.7
708.27429	0.4
710.28796	0.3
740.30200	1.0
741.31482	0.8
742.32385	0.8
763.35791	0.5
789.33698	1.2
790.34961	1.3
831.34741	3.6
832.35358	0.7
863.37396	28.0
864.37769	9.3
872.70599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08540	0.3
61.98715	3.5
69.03333	1.2
69.27129	2.2
69.27541	0.8
71.01265	3.0
71.04909	4.7
73.02845	0.4
83.01277	0.5
83.04920	0.6
85.02832	0.9
87.00771	0.4
89.02345	1.9
93.03378	0.6
93.06967	0.5
95.04917	0.3
96.95900	1.2
97.02859	1.7
97.06503	2.6
99.00799	0.3
101.02349	2.1
107.04951	0.9
111.08078	2.4
113.02368	1.0
116.92770	0.5
119.03428	0.5
121.10147	3.3
122.06062	0.6
123.04406	0.4
123.08073	0.9
125.09625	4.1
127.11224	0.3
130.21605	0.3
137.09648	5.9
141.12796	0.6
145.02898	0.4
152.07179	0.3
161.04463	1.5
163.11247	0.4
163.14920	0.3
165.12767	1.1
169.12325	1.0
171.10234	11.3
172.10583	0.6
173.04506	0.4
179.05559	0.6
181.12251	0.7
185.00899	0.3
185.11803	5.9
193.12268	0.4
195.13834	0.3
197.11821	11.8
198.12157	0.5
199.13414	0.8
207.13933	1.0
207.17532	0.5
209.11861	1.8
211.13377	3.1
219.13872	1.0
223.13382	0.6
225.04060	0.3
225.14986	1.8
227.12903	1.1
231.69267	0.3
233.15588	0.5
235.17003	0.9
237.14967	1.0
247.20741	1.5
251.13889	0.7
251.16568	13.6
252.16917	0.9
253.09338	19.1
254.09708	0.7
263.20169	0.8
273.18704	1.5
291.19739	35.2
292.20096	3.6
309.20779	100.0
310.21121	8.3
343.74234	0.3
433.21085	0.4
527.28839	0.4
545.29761	4.1
546.29871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	1.0
63.30587	0.3
67.01778	0.6
69.03344	46.4
70.03667	1.0
71.01273	2.1
71.57754	0.4
72.99203	1.6
73.02840	0.5
76.08395	0.3
79.01797	0.4
83.01288	0.4
85.02848	1.4
89.02347	0.5
93.03389	0.6
95.01279	1.6
96.95934	0.9
97.02848	9.4
99.00780	13.7
99.04443	0.3
100.01176	0.3
101.02343	0.8
113.02366	1.0
116.92785	1.4
119.03388	0.4
119.16097	0.3
119.93836	0.2
123.00822	0.6
125.02383	0.4
127.11221	0.3
135.04443	0.4
135.08145	0.3
137.02394	0.4
137.06000	0.3
141.01826	1.3
148.21069	0.3
149.06032	2.2
150.06804	31.3
151.07164	1.5
152.07104	0.7
155.84677	0.2
160.01619	0.4
161.09628	0.5
162.06821	1.0
163.07588	6.3
164.08386	7.0
165.08730	0.7
171.10225	0.5
173.04529	1.0
174.04938	0.3
175.03972	0.4
176.08403	0.5
177.09190	0.8
178.09927	1.0
179.05708	0.3
179.10735	14.0
180.11101	0.8
185.00882	12.2
186.01215	0.4
191.05608	0.9
193.05000	0.5
203.01888	0.4
209.11867	0.5
211.13417	0.7
297.24533	0.5
298.24820	0.3
299.22372	5.1
300.22809	0.6
311.22452	1.3
327.25546	0.3
329.23239	0.5
414.31323	0.4
432.32581	1.1
433.32538	0.4
447.34799	1.6
461.32941	2.0
462.33575	0.4
464.31311	0.8
473.33093	0.8
478.33066	1.4
479.33890	9.9
480.34146	1.7
490.33118	1.0
491.33908	8.5
491.41055	0.4
492.34082	1.5
493.35568	0.5
503.33670	0.8
508.34171	2.6
509.34888	8.0
510.35254	1.3
533.34802	0.9
534.35516	0.3
580.25342	0.6
644.30090	0.4
653.38776	0.6
671.40277	100.0
672.40649	20.4
857.41956	13.5
858.42633	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	855.513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	1.9
66.64399	0.3
69.03344	0.9
71.01276	3.9
71.04910	5.8
73.02840	0.7
74.67076	0.3
78.95795	0.5
81.03352	0.3
83.01304	0.5
83.04925	0.7
85.02843	0.8
87.00774	0.8
89.02338	3.4
93.03345	0.4
93.06997	0.4
95.04910	0.5
96.95914	1.2
97.02832	0.4
97.06497	1.9
98.19775	0.7
101.02339	3.9
107.04926	0.9
109.06505	0.5
111.08064	6.2
112.08431	0.4
113.02347	2.3
116.92819	0.4
117.15627	0.3
119.03439	0.6
119.04913	0.3
119.08580	0.5
121.06487	0.3
121.10149	3.1
123.04443	0.4
123.08086	0.8
125.09656	3.8
127.07601	0.5
137.09653	6.5
138.09930	0.4
141.12802	0.7
143.03465	0.4
147.08038	0.3
149.09703	0.4
151.11292	0.5
152.07085	0.4
153.09250	0.3
153.12756	0.5
160.01613	0.6
161.04485	1.7
165.30833	0.3
167.10785	0.4
169.12332	2.0
171.10216	12.2
172.10565	0.8
177.12688	0.3
179.05605	0.7
181.12326	1.1
183.13889	0.4
185.11812	5.8
186.12061	0.4
193.15712	0.3
197.11812	31.0
198.12158	1.6
199.13380	2.5
207.13892	0.5
207.17435	0.4
209.11836	0.8
211.13385	4.6
212.13704	0.5
219.13885	0.6
227.12857	0.8
235.08315	0.6
235.17056	0.8
237.14951	0.9
247.20755	0.8
251.16560	12.8
252.16884	1.0
253.09329	35.1
254.09700	1.6
263.20239	2.4
265.18112	0.9
267.85468	0.3
273.18677	1.6
285.61655	0.3
291.19736	35.0
292.20050	3.2
307.19250	0.3
309.20776	100.0
310.21143	8.9
332.87811	0.3
410.03412	0.3
433.20682	1.5
527.28802	1.0
545.29785	5.8
546.30035	1.0
625.26630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	5.4
66.83694	0.6
67.44808	0.9
69.03339	2.0
69.18268	0.6
70.57553	1.6
71.01274	10.5
73.02838	1.9
81.03349	1.2
82.95255	1.0
83.01263	0.8
83.04910	0.9
85.02839	10.7
85.68495	0.8
87.00771	1.5
89.02333	5.1
90.90322	0.8
95.04942	0.9
96.95896	8.7
97.02850	4.6
97.06506	3.7
99.07998	0.7
101.02350	7.1
105.45613	0.8
111.08070	5.0
113.02352	4.7
119.03429	1.5
123.08089	1.0
125.09637	1.6
127.11205	1.8
137.09645	4.5
145.04967	0.9
149.30128	0.9
151.11195	1.0
155.10732	1.3
161.04498	4.2
163.11281	1.2
165.12807	4.6
167.14438	0.9
169.12256	0.8
171.10231	31.2
172.10577	2.1
173.04442	0.9
179.05553	1.6
179.14394	1.3
181.12273	1.1
183.13872	3.7
185.11859	1.4
193.12262	1.0
193.16032	0.8
197.11798	20.4
198.46815	0.7
201.11371	1.8
209.11751	3.3
211.13390	19.0
212.13643	1.3
221.11861	3.1
223.13562	0.7
227.12900	3.7
229.14467	11.0
235.08263	10.4
239.12909	2.4
247.20705	3.2
251.16618	1.8
253.09325	37.8
254.09740	2.1
263.20132	1.1
273.18750	1.8
291.19727	31.6
292.20090	2.5
293.21265	2.4
309.20773	91.4
310.21021	9.2
327.21826	100.0
328.22089	9.4
343.21277	0.9
527.02002	0.9
527.28613	1.3
545.29871	7.4
546.30237	0.8
563.30646	7.6
619.42090	4.2
620.42444	1.2
856.49078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01601	3.1
61.28757	2.4
69.03339	3.4
69.46430	15.5
69.46856	8.5
71.01272	61.6
71.01661	3.8
73.02838	36.7
73.57320	3.1
83.01298	14.3
85.02850	19.4
89.02326	10.1
93.03362	4.0
95.01305	3.2
96.95908	14.1
99.00769	4.7
99.04417	87.1
101.01704	5.4
101.02353	79.5
113.02354	33.1
119.03415	6.7
123.08088	6.2
125.02357	32.3
135.04480	2.9
137.09618	5.7
142.75223	3.2
143.03448	11.1
149.04488	6.6
161.03236	3.3
161.04503	52.7
163.11241	5.9
173.04549	8.5
179.05441	3.0
191.05580	7.5
203.03789	3.3
203.05571	14.0
207.13899	26.4
221.06686	7.3
225.14937	8.0
235.11882	29.9
271.36658	3.1
277.12830	14.1
307.14133	3.1
317.16327	4.5
339.88223	2.9
369.19241	6.2
379.16162	100.0
380.16495	5.1
421.04834	2.9
429.21371	67.5
430.21475	9.2
736.29871	3.0
773.70099	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	849.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	3.5
61.98721	0.8
69.45920	1.1
71.01272	5.6
71.83125	0.3
73.02837	2.1
80.04944	0.7
83.01286	1.3
85.02847	2.9
87.00742	0.7
92.05009	0.6
94.06510	2.6
95.01287	0.5
98.19781	0.4
99.00793	0.7
101.02341	4.6
104.04974	0.4
106.06538	1.4
107.03679	7.7
113.02364	1.4
119.86356	0.3
120.04477	0.9
120.08117	0.9
121.05288	0.5
122.06040	43.4
123.06396	1.0
124.07607	0.7
129.01787	0.4
132.04489	0.9
134.06058	7.8
136.07579	1.0
139.02696	3.0
148.03976	0.4
150.05594	1.8
152.07114	65.3
153.07492	2.3
154.19040	0.3
161.04477	1.9
162.05537	0.4
164.07019	0.4
166.04990	0.4
173.04524	0.7
174.05571	0.9
186.05690	0.5
190.05115	1.3
191.05560	0.5
209.11909	0.7
210.07870	0.7
211.08699	2.3
213.10297	1.8
215.11877	2.5
223.08543	2.6
224.09500	1.2
225.10245	2.0
227.11905	0.9
235.08681	0.8
236.05925	0.7
237.06735	3.6
237.10266	1.8
238.05186	0.3
238.07419	0.7
238.11066	0.5
239.11893	1.0
241.13513	1.0
243.15022	0.5
245.12738	0.6
249.06848	0.5
249.10400	0.4
250.07457	2.0
251.08275	4.8
251.11957	1.0
252.09044	1.1
253.09860	0.7
263.08298	2.0
263.11743	0.7
264.09079	1.6
265.09854	3.6
267.07581	0.5
269.13055	0.7
276.08890	0.3
277.09921	1.1
278.10660	0.7
279.08273	0.4
279.11398	1.7
281.13138	0.5
283.10971	2.6
285.12457	0.8
286.89868	0.4
291.07791	0.9
291.11234	0.5
292.11798	0.5
293.09583	0.5
293.13043	0.5
295.10950	1.0
305.09360	1.5
307.10861	2.1
318.16245	0.5
319.10919	0.7
323.10416	0.9
325.11935	1.0
328.11005	0.9
329.11966	0.4
330.12637	0.9
330.16351	0.6
331.13327	0.5
332.14014	0.9
337.12064	0.5
338.12982	0.5
339.13519	3.9
340.14172	0.6
341.12228	0.4
342.12445	1.0
342.16229	0.9
343.13651	0.9
344.14063	1.7
345.14911	0.8
346.15750	1.9
347.16058	0.5
355.13098	1.8
356.14059	0.6
357.11041	0.6
357.14844	0.5
358.11920	1.2
358.15854	1.6
359.16504	1.2
360.17352	2.3
370.12103	1.4
371.12720	0.9
372.13507	2.0
372.17569	0.6
373.14374	1.2
374.15115	1.3
384.13010	0.6
384.17352	1.3
385.14160	1.7
386.15167	4.1
387.15698	0.8
388.16992	0.4
398.15179	1.2
399.16010	0.8
400.16641	1.4
401.17618	0.5
402.14294	0.8
402.18808	0.7
411.14832	0.4
412.12296	0.7
412.17068	1.2
416.16196	0.8
417.16611	0.9
428.16232	2.9
429.16742	0.7
430.18069	0.9
434.17361	0.4
440.16116	1.9
448.18796	1.3
459.18063	1.7
460.18790	5.1
461.19083	0.7
470.16965	0.7
472.18820	1.6
491.20667	0.4
493.22046	1.5
495.20551	0.4
502.19980	2.5
503.20541	1.1
504.21640	3.9
505.21365	0.5
511.23428	0.8
523.19482	0.9
525.25458	0.7
539.23431	0.5
549.25171	1.0
551.23016	1.9
552.23584	1.1
570.24683	0.8
571.26001	2.6
572.25732	0.5
593.24213	6.9
594.24506	1.5
597.27246	0.7
611.25256	0.6
625.26801	100.0
626.27118	18.2
626.42548	0.5
643.28064	0.8
654.26935	0.9
726.28564	0.8
728.30542	0.9
749.33783	0.5
775.31860	1.0
776.33429	1.0
817.33087	3.1
818.32562	0.5
849.35840	26.6
850.36401	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	847.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.2
59.17680	0.4
61.98718	2.4
67.48689	0.3
71.01266	3.7
73.02834	1.3
75.00768	0.4
78.95818	0.3
80.04944	0.9
80.33122	0.3
83.01289	1.0
85.02841	2.2
89.02344	0.6
93.03363	0.4
93.13150	0.3
94.06521	3.3
95.01295	0.5
95.29647	0.3
96.95918	0.5
99.00751	0.6
101.02356	4.0
104.04957	0.3
106.06521	1.6
107.03673	10.1
107.04378	0.7
113.02367	1.6
116.05070	0.4
120.04458	1.5
120.08097	0.8
121.05244	0.7
122.06038	54.1
123.06407	1.8
124.07615	0.8
132.04510	1.2
133.02875	0.4
134.03735	0.5
134.06047	8.2
136.07599	0.9
139.02692	4.0
140.60231	0.4
146.06055	0.3
148.03943	0.4
148.07613	0.5
150.05594	1.9
152.07114	72.3
153.04239	0.5
153.07457	2.8
158.06017	0.4
160.03964	0.8
161.02357	1.2
161.04604	1.0
162.05624	0.4
164.07172	0.6
166.05025	0.9
171.10284	0.6
173.41801	0.3
174.05589	0.6
175.04005	0.4
190.05061	1.4
191.05591	0.4
197.05357	0.3
197.07173	0.5
200.03473	0.7
200.09468	0.5
209.07191	0.8
209.11598	0.3
210.08003	1.0
211.08755	3.0
211.13409	0.4
213.10324	1.0
215.11887	2.3
218.04686	0.3
221.10413	1.4
223.08754	3.1
224.09584	2.0
225.10263	3.6
227.11993	0.7
234.07942	0.4
235.08780	0.9
236.05959	1.2
236.09471	0.6
237.06706	5.7
237.10307	1.9
238.07243	0.7
239.11865	1.7
241.13470	0.4
247.08807	0.3
248.09563	0.4
249.06793	0.5
249.10365	0.7
250.07477	2.3
251.08266	6.0
251.11896	1.1
252.09007	0.9
253.09761	0.9
261.10522	0.7
262.07675	0.4
262.11206	0.4
263.08322	2.4
263.11942	0.9
264.09055	2.3
265.09854	3.7
265.12616	0.5
266.10535	0.4
267.11469	0.8
269.09219	0.4
269.13080	0.6
271.10992	0.4
277.09943	1.6
278.10638	0.6
279.11389	1.6
280.12057	0.5
281.09360	0.4
281.12909	0.6
283.10898	3.5
284.11337	0.5
285.12543	1.1
291.07837	0.8
291.11349	0.5
293.09641	0.4
293.12650	0.3
295.11029	0.5
297.12427	0.4
305.09293	1.3
305.12375	0.3
306.10001	0.5
306.16281	0.4
307.10980	2.5
314.09460	0.5
314.12970	0.4
315.10590	0.4
316.11029	0.5
319.10791	1.3
323.10446	0.9
325.12003	1.1
328.10907	1.5
329.11691	0.4
330.12585	1.6
330.16217	0.6
331.13272	0.8
332.14050	0.8
337.12009	0.7
339.13559	3.6
342.12494	1.0
342.16199	0.8
343.13348	0.7
344.14050	2.5
345.14944	1.5
346.15744	3.2
347.16235	0.4
351.13690	0.6
355.13223	1.7
356.10135	0.9
356.14172	0.6
357.11191	0.5
357.15311	0.6
357.44528	0.3
358.12033	1.8
358.15756	2.0
359.16431	1.1
360.17252	2.4
370.12024	1.3
370.16095	0.4
371.12622	1.5
372.13419	3.1
372.17102	0.5
373.14334	1.3
374.15103	1.9
376.16937	0.7
384.13177	0.9
384.17303	1.5
385.14069	1.6
386.15149	4.6
387.15768	1.1
390.18265	0.5
396.17813	0.4
398.15244	1.3
399.15768	0.9
400.16953	0.9
402.14346	2.1
403.14963	0.5
404.16058	0.8
405.17328	0.3
406.17776	0.4
412.12762	1.0
412.17346	0.6
414.18338	0.4
415.14679	0.4
416.16397	1.0
417.17279	0.6
423.16495	0.5
427.14938	0.4
428.16080	3.3
429.16852	0.6
430.17606	1.0
440.16336	1.9
442.17520	0.4
448.18918	2.0
449.19873	0.4
459.18103	1.5
460.18875	6.1
461.19354	0.9
470.17416	0.5
472.18793	1.5
479.21017	0.5
483.24594	0.5
491.23947	0.9
502.19879	1.7
503.20694	0.9
504.21478	4.0
505.22174	0.5
510.22421	0.4
511.23795	0.8
523.19629	1.5
525.25183	1.1
538.22290	0.5
539.22699	0.5
549.25256	0.9
551.22955	2.0
552.23779	1.0
565.24823	0.4
570.24872	1.1
571.25677	3.1
572.26099	0.4
583.26208	0.4
593.24072	6.3
594.24573	1.2
597.27130	1.1
625.26801	100.0
626.27106	19.8
643.27478	0.6
652.29352	0.6
694.29901	0.4
724.30811	0.9
725.31201	0.5
726.32513	1.0
771.37555	0.5
773.34271	1.4
774.34802	1.3
815.35468	2.9
816.35400	0.6
847.37872	32.2
848.38184	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	847.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01600	1.0
61.98720	5.4
65.00239	0.4
67.01792	0.9
68.89973	0.4
69.03341	7.6
70.29189	0.9
70.29580	1.0
72.99222	0.4
75.00780	0.5
81.03345	0.7
81.23792	0.3
83.04485	0.5
83.04941	1.8
85.02839	0.4
88.98699	0.8
91.05442	0.4
93.03387	1.9
95.01299	0.8
95.04942	0.5
96.95936	0.5
99.04433	1.0
107.04974	0.9
108.02073	3.1
109.02876	3.2
117.03370	0.5
119.01340	2.4
119.04994	0.8
121.02874	12.7
122.03703	1.1
123.00827	1.5
123.04438	5.2
124.01614	0.8
133.02847	0.6
134.03651	5.2
135.00809	1.1
135.04427	3.2
136.00650	0.5
136.01599	5.2
137.02377	8.3
137.06018	0.5
138.03056	0.7
139.03906	0.5
145.02907	1.1
145.06548	1.0
146.03650	0.6
147.00819	5.2
147.04463	5.1
148.01611	5.7
149.02382	21.0
149.06021	3.2
150.03204	3.3
151.03955	6.8
153.05560	0.5
156.91521	0.4
157.06453	0.4
159.04454	2.2
160.01595	1.0
160.05267	4.0
161.02367	2.9
161.06042	4.8
162.03201	5.8
162.06812	4.2
163.00317	1.1
163.03963	7.8
163.07533	0.6
164.01096	6.0
164.04739	38.6
165.01894	22.4
165.05505	6.0
166.02539	1.4
167.03470	0.6
171.04510	0.7
172.05290	0.5
173.02513	1.0
173.04561	0.7
173.06018	5.5
174.03212	3.3
175.03973	27.1
175.07527	4.9
176.04713	5.5
176.08025	0.6
177.01897	9.2
177.05530	5.6
177.09142	2.5
178.02663	5.0
178.06226	0.7
179.03482	45.7
179.07094	77.0
180.04214	7.7
180.07423	3.7
181.04889	0.5
185.06070	0.6
187.03889	0.7
187.07591	0.5
188.04727	0.9
189.05544	5.4
190.06320	24.9
191.03468	13.2
191.07097	7.0
192.04237	10.2
193.01497	0.7
193.05035	6.2
194.05814	8.2
195.06590	3.0
199.07632	0.5
200.04813	1.3
201.05550	33.3
202.06117	2.6
203.07106	0.6
203.10800	0.5
204.07788	0.6
205.08691	52.6
206.05862	8.2
206.08911	3.1
207.06598	9.9
207.10234	1.2
208.03828	0.8
208.07388	4.3
209.08101	1.3
209.11862	1.8
215.07166	1.9
216.04369	1.3
216.07921	28.2
217.05054	19.8
217.08229	3.1
218.05765	3.7
219.06660	1.0
221.08195	22.7
222.08548	1.2
223.09763	14.3
224.10208	0.5
231.06960	2.5
231.10275	35.5
232.07379	4.3
232.10622	2.7
233.08153	4.4
233.11720	0.5
234.08949	0.8
235.09813	0.6
247.07472	0.3
247.09795	8.3
248.10178	0.6
249.05759	0.5
249.11357	2.2
253.05005	0.5
253.09328	0.4
265.10861	0.8
267.06635	0.6
278.06207	0.4
291.19839	0.6
293.21344	0.5
295.06244	0.4
295.76529	0.4
296.07013	0.5
307.06180	1.0
308.26581	0.4
309.20731	0.7
311.09457	0.5
313.07373	0.5
321.07684	0.8
322.08578	0.7
323.05649	0.5
324.06171	0.4
325.10852	0.7
326.11697	0.9
327.12347	0.6
337.10852	3.6
341.14020	0.6
343.11993	2.7
351.12427	2.1
352.13181	6.8
353.10178	1.1
353.13910	2.5
354.10922	0.8
355.08170	0.6
355.11960	1.4
367.15567	12.2
368.12280	0.6
368.16104	1.2
369.13470	6.5
370.10071	0.7
370.14343	2.8
371.11279	4.8
371.15073	0.8
372.11713	1.0
383.15082	4.2
384.15872	1.4
385.12952	1.8
385.16818	14.5
386.13211	4.1
387.14600	3.4
397.13028	5.5
398.13068	0.8
401.16132	27.8
402.16531	3.6
403.12448	0.9
403.17688	12.6
404.17923	0.7
411.14560	0.9
412.15375	6.7
413.15750	1.6
425.16061	1.0
427.17728	9.4
428.18063	1.3
429.15518	2.5
430.16345	1.6
431.17328	2.7
443.11676	0.3
443.17194	9.8
444.17981	3.2
445.18765	68.7
446.19080	8.6
459.20319	3.5
460.20547	0.5
515.17578	0.4
545.21790	2.0
548.20868	0.8
549.08466	0.5
563.22998	36.8
564.23334	6.0
581.24207	6.1
582.23621	0.7
607.25848	2.9
608.23602	1.2
623.25116	97.6
624.25409	18.8
625.26697	0.8
769.33270	1.8
770.34247	0.5
787.33472	6.2
788.33777	1.9
805.34607	1.4
847.35651	13.1
847.49976	0.5
848.36151	4.2
877.05414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
61.98718	0.4
69.03343	5.6
71.01260	0.9
71.20155	0.2
71.20484	0.4
80.02551	0.3
80.96375	0.2
81.03348	0.5
81.89055	0.2
83.04907	1.4
84.02065	0.2
85.02858	0.5
89.02351	0.6
93.03329	0.3
95.04912	0.3
96.95908	0.3
97.02835	3.3
97.03401	0.3
97.06522	0.4
101.02348	0.7
107.04961	0.3
107.08577	0.8
108.05735	1.0
109.06508	0.4
110.03615	0.2
111.08067	0.4
113.02325	0.2
115.46465	0.2
119.03477	0.2
119.08582	7.3
120.08932	0.4
121.06535	0.3
121.10168	0.4
122.78153	0.2
123.04406	0.2
123.08040	0.3
125.09651	1.4
127.11216	1.5
135.08083	1.7
137.09650	26.2
138.09961	1.3
153.09169	0.4
155.10954	0.2
163.11226	0.7
165.12816	1.8
171.10220	47.4
172.10574	2.8
177.12889	0.3
179.14284	0.2
181.12311	0.5
183.13907	0.7
185.11794	0.6
189.12831	0.2
191.05537	0.3
193.12318	0.7
195.13887	2.4
196.14174	0.2
197.11804	1.0
201.11287	3.6
209.11832	0.9
211.13377	1.1
221.11746	0.4
223.13457	0.3
227.12900	1.2
229.19572	0.5
247.20734	1.3
248.21025	0.3
248.93329	0.2
253.09332	9.2
254.09676	0.6
273.18677	3.1
274.18857	0.3
277.21765	2.3
278.22183	0.4
285.22791	0.2
291.16379	0.4
291.19720	17.2
292.20026	1.9
295.22836	21.3
296.23199	2.1
299.02005	0.3
309.20770	100.0
310.21121	10.8
311.21414	0.8
375.55518	0.2
504.92966	0.2
531.31854	0.7
551.32910	0.2
765.40594	0.2
862.67084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	8.6
61.98705	4.3
71.01277	6.4
73.02820	1.1
74.87545	0.7
80.04924	1.0
83.01312	0.9
85.02850	1.7
87.00763	0.8
89.02338	3.4
93.03321	1.0
94.06510	3.1
95.01292	0.8
96.95908	2.7
98.19801	1.6
101.02333	2.0
106.06522	1.4
107.03671	5.6
107.56606	0.8
113.02400	2.0
116.92780	2.6
119.03456	0.9
120.08125	3.2
121.02841	1.0
121.54881	0.7
122.06036	51.6
123.06364	2.5
132.04503	1.5
134.06026	8.5
135.04440	0.9
135.06841	0.8
136.07626	2.1
139.02681	3.3
148.03984	0.9
150.05571	2.2
152.07112	85.5
153.07460	3.3
160.04036	1.5
160.06563	0.8
161.02434	1.2
171.10104	1.1
173.04506	3.1
174.05550	1.6
175.03989	1.1
190.05070	3.0
191.05666	2.5
209.11795	3.1
211.08751	1.7
211.13383	3.0
213.10350	1.9
215.11919	1.9
223.08827	3.8
224.09554	2.5
225.10381	3.0
237.06714	2.2
237.10344	3.8
238.11128	1.3
239.11891	4.5
241.13580	2.0
245.12859	1.7
249.10555	1.5
250.07506	1.6
251.08243	6.7
251.11998	2.6
252.09096	0.8
263.08389	2.6
264.09106	3.3
265.09903	6.7
267.11472	1.5
269.09500	1.2
271.11285	0.9
277.09933	1.7
278.10538	1.1
279.11398	8.7
280.12091	1.7
281.13028	1.9
283.10971	3.1
283.99426	0.8
285.12564	1.7
287.14133	2.5
291.11441	1.9
295.10916	2.2
305.09512	1.7
307.10925	3.7
311.14026	0.9
323.10303	2.6
325.12027	2.3
331.13397	0.9
335.10257	0.9
337.12033	1.0
339.13525	4.0
342.16272	1.9
345.14484	1.0
346.15659	1.7
351.13773	1.3
355.13162	2.0
358.12033	1.1
358.15707	1.5
359.16440	1.9
360.17163	5.7
371.12836	1.0
372.13449	1.8
373.14310	1.9
384.13400	1.2
384.17557	1.2
386.15216	6.2
388.16776	1.7
398.15109	1.2
399.15692	1.1
400.16620	1.3
401.17593	0.9
402.18430	4.9
403.18726	1.5
404.19888	1.3
414.18356	1.4
416.16251	1.7
418.17630	1.0
426.18427	1.2
427.15143	1.0
428.16214	2.3
440.16333	3.1
441.16772	0.9
444.19226	3.0
448.18799	6.8
449.19299	1.5
459.18036	3.3
460.18890	11.7
461.19250	2.3
470.17401	1.0
471.18173	1.6
472.19046	4.0
488.18420	3.2
489.19312	1.9
490.19437	1.3
502.19431	1.2
503.20724	1.5
504.21515	6.7
511.23599	1.5
520.20990	2.4
525.25201	1.8
538.22748	1.1
551.23120	1.5
552.23730	1.3
567.26361	3.1
570.24377	2.1
593.24017	3.7
594.24854	1.1
597.27112	1.3
611.25165	12.5
612.25714	1.9
625.26794	85.8
626.27094	18.0
643.27863	100.0
644.28241	20.5
667.28137	1.4
685.28931	55.7
686.29266	10.6
697.30212	1.1
713.28778	1.5
715.29950	9.3
716.30371	2.4
745.31158	28.3
746.31091	6.5
756.52362	0.9
773.30121	1.6
805.32349	1.2
819.55975	1.0
860.58710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.4
61.98708	1.7
67.01772	1.0
69.03337	0.4
70.71353	0.5
70.71724	0.5
71.01275	1.0
71.95065	0.2
72.34165	0.2
83.04905	0.8
89.02334	0.3
89.86044	0.3
93.03317	0.3
93.07011	0.7
95.04934	0.9
96.95888	1.5
97.06495	1.3
101.02349	0.7
111.08073	1.0
113.02377	0.5
119.03389	0.3
119.08603	0.4
119.89523	0.2
121.10147	6.4
123.08059	0.7
125.09652	5.8
127.11201	0.2
135.08144	0.3
137.09654	1.8
141.12785	0.4
147.08061	0.4
149.02400	0.5
152.07144	0.3
163.11185	0.3
165.12825	0.3
167.10649	0.4
167.14374	1.1
171.10217	6.4
172.10587	0.3
177.12851	0.3
185.11789	10.1
185.13437	0.5
186.12157	0.9
193.15875	0.3
195.13913	1.5
197.11781	2.3
198.12294	0.3
209.11775	1.5
211.13382	52.4
212.13739	3.7
216.73314	0.2
223.13362	1.2
233.18221	0.2
245.18993	0.5
247.13356	0.4
247.20596	0.8
248.37901	0.2
253.09319	5.6
254.09746	0.3
258.06808	0.3
273.18652	0.9
275.20258	0.5
281.05887	0.9
281.08768	0.3
287.07349	1.1
289.18121	1.6
290.18457	1.1
291.19724	100.0
292.20047	9.8
293.21286	11.6
294.21658	1.6
307.19119	1.9
308.19504	1.6
309.05426	0.9
309.20776	22.1
310.21121	2.1
327.06433	0.6
411.70871	0.3
492.22314	0.4
529.30280	0.4
625.26477	0.4
732.71619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.0
61.98717	1.0
69.03350	0.9
71.01269	5.5
71.01669	0.3
72.99183	0.5
73.02842	0.8
74.00947	0.2
75.62431	0.2
78.95794	0.4
80.02588	0.3
81.03374	0.3
83.01284	0.9
83.04922	0.6
84.02069	0.2
85.02841	5.6
87.00758	1.0
89.02332	3.9
91.03919	0.3
93.03329	0.3
95.01285	0.5
95.04935	0.6
96.20473	0.2
96.95921	0.4
97.02885	1.2
97.06487	2.3
99.00798	0.5
101.02347	5.6
102.02686	0.2
109.06480	0.3
111.08071	0.5
113.02354	2.5
113.09640	0.3
116.92789	0.2
119.03429	1.4
123.08037	0.5
124.76263	0.2
125.02356	0.5
125.09631	1.3
127.11187	1.1
131.03397	0.3
133.04968	0.3
135.08015	0.2
137.09645	1.3
143.03438	0.7
145.05016	0.5
151.11205	0.2
154.86292	0.2
155.10745	1.0
155.14331	0.4
161.04504	3.1
163.11142	0.3
165.12779	0.6
167.10684	0.5
167.14397	0.5
171.10223	14.0
172.10576	0.8
177.12791	0.7
179.05545	1.0
179.14386	0.7
181.12242	0.5
183.13844	2.5
185.11745	1.1
193.12300	0.9
195.13893	7.0
196.14519	0.8
197.11803	0.6
199.13387	0.3
201.11266	0.4
201.31659	0.2
203.10710	0.4
205.12349	0.6
205.15953	0.2
209.11865	1.2
211.13385	14.3
212.13721	0.7
219.89105	0.2
221.11847	2.5
222.12157	0.2
223.13396	5.4
224.13837	0.4
224.66895	0.2
227.12909	0.5
228.13678	0.7
229.14455	11.0
229.45595	0.2
230.14835	0.6
235.08260	6.9
236.08534	0.3
239.12929	1.8
246.53342	0.2
247.20720	0.6
253.09326	35.0
254.09747	1.4
256.13205	1.1
265.21887	0.2
273.18500	0.3
275.20221	4.7
276.20474	0.3
291.19724	4.6
292.20053	0.6
293.21292	100.0
294.21613	8.8
309.20792	7.8
310.21164	0.9
327.21829	76.6
328.22186	7.4
408.27170	0.2
431.62259	0.2
492.22232	0.5
529.30316	2.4
530.30786	0.4
545.29639	2.2
546.30396	0.4
563.30804	7.1
564.31140	0.9
603.42767	4.2
604.43011	0.8
839.52106	0.4
840.51282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.3
61.98717	100.0
62.98421	0.7
63.99139	0.6
64.25581	0.4
69.03323	0.5
71.01269	1.1
73.02840	0.5
74.96091	0.4
78.95819	0.6
80.96420	0.5
83.01293	0.6
83.04919	0.6
89.02328	0.9
90.97351	0.4
95.01295	0.4
96.61695	0.4
96.95927	1.7
98.19785	1.2
101.02346	0.8
109.06529	0.4
112.96487	0.4
113.02340	0.6
116.92794	1.3
137.09715	0.5
152.07109	0.6
153.09195	0.8
163.11227	0.5
164.26161	0.4
165.12828	1.5
171.10248	1.3
173.04570	0.6
181.12383	0.4
184.83257	0.4
185.11888	0.4
207.10309	0.5
209.11819	11.0
210.12263	0.8
221.23186	0.4
227.12900	2.5
235.08374	0.5
247.20859	0.7
250.40923	0.5
253.09335	1.8
260.04947	0.4
275.20288	0.6
289.18222	1.0
291.19724	8.3
291.22647	0.6
292.20059	0.6
293.21310	1.2
307.19211	4.5
309.20810	12.9
310.21378	0.8
325.20297	2.1
381.38007	0.4
525.27185	0.6
543.28278	2.1
606.77252	0.4
735.39417	2.0
753.40826	4.0
753.53198	0.5
754.42035	1.0
771.42493	1.5
772.42975	0.7
839.42157	6.3
840.42712	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	835.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41766	0.4
59.01262	4.8
60.99192	7.4
61.44525	0.4
61.98717	26.1
70.79504	0.9
70.79897	0.8
71.01270	1.8
79.95622	0.7
80.96406	0.8
85.02846	0.5
89.02338	1.5
93.93793	0.4
96.95893	1.0
101.02366	1.6
113.02314	0.6
115.05399	0.6
141.01627	1.7
161.04573	0.7
171.10245	0.7
173.04510	0.5
175.03928	0.7
195.13876	1.3
203.08626	24.6
204.09007	2.2
205.10220	11.0
206.10623	0.6
209.11899	0.8
215.08662	4.7
217.10223	30.6
218.10544	2.6
219.08153	4.7
221.09769	0.7
223.13419	0.9
229.06737	0.6
231.08162	1.7
233.09723	100.0
234.10051	8.9
235.11240	0.6
245.06126	1.7
247.07669	61.3
248.08040	5.1
249.09254	3.6
251.10728	4.0
253.09334	15.3
254.09825	0.5
259.07724	2.7
261.09247	65.4
262.09619	5.5
275.07230	0.5
275.20245	2.2
277.08746	70.2
278.09106	7.4
291.06674	2.6
293.21295	30.5
294.21692	2.0
295.09912	0.6
295.22897	0.7
305.08249	88.6
306.08585	8.4
396.70499	0.5
397.13568	0.5
492.22159	0.6
529.30371	0.9
835.36914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00993	0.4
59.01267	5.0
60.99179	0.4
61.98716	8.6
69.03355	0.5
71.01268	0.7
71.57828	0.3
78.95790	0.3
80.02571	1.2
80.96414	0.3
81.03359	1.4
83.04913	1.2
89.02342	0.4
93.03355	0.4
95.04916	2.4
96.95902	0.2
97.02853	4.0
97.06476	2.1
98.03664	0.4
101.05993	0.6
106.04134	0.3
107.04915	0.3
109.06515	1.2
110.03641	0.2
111.04424	0.2
111.08064	0.4
113.05949	0.2
113.09617	0.9
119.04956	0.5
121.06523	1.3
123.04433	3.0
123.08065	3.9
125.09619	0.3
127.07564	0.3
132.11804	0.2
134.07324	0.3
135.08118	0.3
136.05209	0.3
137.09625	1.4
139.07564	0.5
139.11197	1.8
142.02641	0.5
145.06535	0.4
146.07242	0.2
147.08084	0.6
148.08838	0.5
149.06055	0.3
149.09673	2.1
151.07565	0.9
151.11212	4.4
152.08316	0.6
152.11542	0.3
153.09148	0.5
153.12810	1.5
155.10710	0.3
159.08073	0.4
161.09691	0.4
163.11200	1.5
165.12814	2.3
167.10733	0.4
168.11150	0.2
169.12308	0.3
170.61990	0.2
171.10283	0.2
173.09688	0.4
174.10471	0.6
175.11212	0.8
177.12822	1.6
179.10715	0.3
181.12349	0.3
183.10304	0.3
185.11769	0.6
188.11998	0.3
189.12854	0.4
191.10767	0.5
191.14374	4.2
192.14751	0.3
193.12334	0.6
195.13849	0.3
199.13379	1.3
203.08653	0.7
203.14336	1.2
204.08960	0.6
205.10201	0.4
209.11821	3.9
210.12254	0.2
211.13399	0.3
216.15157	0.4
217.10239	0.9
217.16025	2.2
218.10561	0.6
219.10762	0.2
221.11891	0.4
221.48412	0.3
227.18037	0.4
229.15939	0.3
233.09752	3.3
234.10062	2.6
235.10365	0.9
235.13441	0.5
238.12067	1.1
239.12700	0.2
243.17461	0.5
245.12180	0.4
245.19131	26.5
246.19464	2.6
247.07687	1.8
248.07964	1.6
249.08289	0.5
253.09337	1.8
254.09520	0.3
261.09286	2.2
262.09601	1.8
263.09799	0.6
265.18185	0.6
271.17108	1.2
273.15167	0.4
277.08755	2.4
278.09045	1.8
279.09396	0.6
287.16592	0.5
289.18155	100.0
290.18509	8.5
290.21078	0.2
293.21286	3.0
294.21616	1.0
295.21964	0.4
305.08264	2.3
306.08597	2.2
307.09354	1.0
307.19211	38.4
308.19550	3.5
529.29517	0.3
837.40375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.4
60.99178	0.4
61.98720	18.8
67.32401	0.3
69.03344	0.8
71.01277	0.6
71.04925	0.5
71.38177	0.6
78.83335	0.3
78.95808	0.4
80.02557	0.8
80.96404	0.5
81.03358	1.5
83.04916	1.0
89.02310	0.3
89.38107	0.3
95.04951	1.5
96.31699	0.3
96.95933	0.5
97.02842	3.6
97.06490	1.3
101.05949	0.5
107.04967	0.7
108.02063	0.5
109.06485	1.5
110.03612	0.4
113.09627	0.8
119.04903	0.3
121.02879	0.3
121.06507	1.3
123.04438	2.4
123.08071	3.4
125.09608	0.3
135.08057	0.6
136.05186	0.4
137.02373	0.5
137.09653	1.5
139.07552	0.6
139.11209	1.2
145.06580	0.3
146.07408	0.4
148.08876	0.5
149.09659	2.5
151.07608	1.1
151.11227	3.8
152.08282	0.3
153.09140	0.6
153.12778	1.7
163.11247	0.8
165.12766	2.7
169.12292	0.5
173.09723	0.3
174.10468	0.7
175.03773	0.4
175.11224	0.4
177.12868	1.5
185.11804	0.9
185.14207	0.4
191.10881	0.5
191.14363	3.7
193.12302	0.4
195.13799	0.4
199.13342	1.2
203.08598	1.0
203.14375	1.3
204.08990	0.7
205.10161	0.4
209.11794	4.1
211.13521	0.4
216.15285	0.4
217.10233	1.2
217.15988	2.6
218.10550	1.1
219.10793	0.4
220.08257	0.3
233.09755	3.9
234.10068	3.1
235.10378	1.2
237.11395	0.5
238.12057	1.3
243.17561	0.4
245.11984	0.6
245.19136	25.0
246.19449	2.2
247.07730	2.9
247.17117	0.4
248.07867	1.7
253.09259	2.3
254.09564	0.6
261.09225	2.5
262.09619	2.3
263.09995	0.6
265.18161	0.8
271.17078	1.6
275.20096	0.4
277.08762	3.9
278.09094	2.6
279.09402	0.7
287.16553	0.7
289.18158	100.0
290.15259	0.5
290.18506	9.3
293.21301	3.4
294.21640	1.3
295.22003	0.6
305.08240	3.7
306.08533	3.1
307.08984	1.6
307.19226	36.5
308.19543	3.5
590.69196	0.4
776.11444	0.3
837.40125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.6
62.88005	0.4
70.05540	0.7
70.05956	1.6
70.60477	0.4
71.01260	1.2
73.02838	0.5
78.95792	97.0
79.95613	1.3
80.96413	6.3
85.02847	0.7
87.00774	0.5
94.97990	1.9
96.96860	24.2
98.20041	1.0
101.14426	0.5
105.68634	0.4
118.81660	0.4
121.99509	0.5
125.02309	0.5
134.98460	1.4
136.99091	0.4
139.74455	0.4
141.01637	1.6
150.97922	0.6
152.99522	28.7
164.98601	1.2
167.05118	0.4
171.00645	0.7
211.96690	0.5
223.00119	10.9
225.00775	3.8
241.01205	49.0
242.01604	1.4
250.22635	0.5
255.23323	91.1
256.23694	7.2
259.02213	3.4
259.20572	0.7
277.21774	57.3
278.22198	4.5
294.22198	0.5
297.03839	1.9
315.04865	1.1
371.18179	0.6
391.22565	7.3
392.22983	0.6
413.21182	0.6
553.27850	6.8
554.28290	0.6
575.25909	1.6
586.42389	0.6
831.50452	100.0
832.50677	26.6
855.05139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	5.8
61.98711	3.2
69.03326	1.9
71.01263	4.1
71.58413	1.5
74.99140	0.8
78.95794	2.1
81.03345	16.8
83.01313	0.9
83.04916	39.5
84.05222	1.1
85.02847	1.8
87.00749	1.1
88.98702	1.0
89.02332	1.5
93.03349	2.0
96.95916	26.8
96.96868	1.9
97.02837	1.8
98.77303	0.7
99.00726	0.9
100.07583	5.1
101.02322	2.0
113.02364	1.8
114.15249	0.7
116.92783	1.0
122.06049	1.2
126.05556	1.2
135.04436	1.0
147.04463	0.8
152.01027	1.0
157.13385	0.8
160.01532	1.1
161.02321	1.3
173.04474	5.2
175.03954	1.3
185.00841	1.3
191.05508	3.4
193.03223	0.7
193.05064	1.2
199.18159	8.8
207.15080	1.1
210.24675	0.8
225.16101	8.6
227.00241	0.8
243.17155	19.0
244.17577	1.0
256.70544	0.8
283.10757	0.9
291.06598	1.0
309.21954	1.4
353.20764	5.9
451.32928	1.9
469.34024	11.7
470.34619	1.4
579.37604	3.5
695.51172	4.5
823.55676	100.0
824.41901	1.0
824.55945	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	823.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00485	0.8
59.00993	0.7
59.01265	9.4
61.98703	1.3
69.03332	1.9
70.97185	1.2
71.01270	9.9
72.99194	0.6
73.02829	1.8
78.95779	1.1
80.96412	1.8
81.03368	0.5
83.01271	1.9
83.04906	1.4
84.02029	0.4
85.02842	8.6
86.00024	0.4
87.00777	1.4
87.04436	0.4
89.02343	7.3
91.03900	0.7
94.98000	0.5
95.01280	1.2
95.04902	0.7
96.95898	0.8
97.02869	2.5
97.06484	4.8
98.12292	0.4
99.00763	0.6
101.02348	8.3
107.04922	0.4
111.08064	0.9
113.02350	5.0
113.09630	0.5
119.03436	2.7
125.02384	0.6
125.09659	1.4
127.07547	1.0
127.11178	1.2
133.05011	0.9
137.09685	2.2
138.29727	0.4
143.03427	1.6
145.05022	1.0
146.92247	0.4
151.11281	0.4
151.79094	0.4
155.10713	1.1
157.05035	0.6
161.04494	4.1
163.11252	0.5
164.17055	0.4
165.12834	0.9
171.10234	19.5
172.10555	0.7
177.12794	1.0
179.05528	1.5
181.12311	0.7
182.35583	0.4
183.13879	6.8
185.11763	1.4
191.90399	0.4
193.12271	1.2
195.13942	2.9
197.11826	3.8
199.13374	1.0
201.11383	1.0
203.10793	0.5
209.11816	1.6
211.13382	17.6
212.13680	1.1
221.11842	2.8
225.00681	0.7
227.12946	0.8
229.14449	10.5
230.14795	0.5
235.08234	12.4
239.12971	2.2
247.20618	0.6
251.16513	0.8
253.09329	38.3
254.09612	1.5
259.20645	0.6
269.12558	0.5
273.18497	0.6
275.20111	0.9
277.21780	100.0
278.22116	9.4
291.19714	7.3
293.21298	11.1
294.21582	1.3
295.22852	7.7
296.23160	0.7
309.20782	23.1
310.21307	1.9
311.22357	11.4
312.22714	0.5
327.21832	98.5
328.22208	8.3
381.90143	0.5
400.89127	0.5
513.31110	0.6
533.77362	0.4
545.29895	4.2
563.30664	5.8
564.31403	1.0
587.43164	3.5
628.23438	0.5
733.38977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.00960	0.5
59.01260	9.5
61.98705	0.5
69.03304	0.8
71.01266	10.1
71.04890	1.6
72.99144	1.0
73.02824	2.0
80.02547	1.3
80.96426	2.9
81.03326	1.2
83.01254	1.6
83.04909	4.9
84.02042	1.2
85.02849	2.8
87.00764	1.9
89.02330	5.6
91.84116	0.5
95.04912	2.7
96.95877	0.7
97.02881	0.8
97.06484	2.6
98.19753	1.0
99.04400	2.2
101.02344	5.8
109.06482	1.1
112.05190	1.9
113.02366	3.9
115.07534	2.3
119.03397	1.4
123.04446	0.9
123.08054	0.9
125.02351	1.2
125.05957	1.1
125.09664	5.6
127.07555	3.5
127.11153	0.7
135.08070	2.9
137.09567	0.8
139.07491	0.6
141.09143	0.8
143.03419	0.6
145.04942	0.7
148.97748	0.6
149.04436	0.6
151.02412	0.5
153.09152	22.5
154.09515	1.4
155.10748	1.2
161.04535	3.1
163.11212	4.4
165.12772	2.3
168.19252	0.6
171.10223	28.2
172.10597	1.3
178.09979	3.5
179.05557	2.3
179.10600	0.8
181.12337	0.8
185.11800	6.2
191.10834	2.4
191.14357	1.7
197.11807	7.6
207.10254	0.6
209.11813	62.1
210.12111	4.5
211.13358	1.5
219.13750	0.7
221.11894	0.6
225.00818	0.6
227.12817	1.1
235.08250	2.7
236.10648	1.3
237.11328	0.6
237.14951	0.7
238.12131	1.6
239.16515	0.6
245.19093	3.1
253.09285	15.9
254.09605	1.0
263.20300	1.6
267.16000	0.6
271.17108	0.9
275.20285	0.9
277.21777	100.0
278.22137	9.6
279.19669	1.0
289.18164	18.5
290.18402	1.3
291.19562	0.9
293.21301	1.8
297.20792	2.1
307.19211	83.9
308.19556	7.3
325.20233	38.1
326.20654	3.2
389.17261	0.5
407.19379	1.5
474.21271	0.7
513.30652	0.6
525.27039	7.5
543.28204	30.0
544.28662	4.1
561.29218	7.0
562.29694	0.8
709.66302	0.6
734.43054	4.6
735.43475	0.8
776.24420	0.6
786.84418	0.6
803.49640	18.8
804.50049	5.9
821.50195	5.0
822.50586	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	821.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
58.00500	0.4
59.01266	4.8
61.98719	8.9
66.57066	0.2
69.03342	0.7
70.82188	0.2
70.82524	0.4
71.01268	4.8
72.99181	0.4
73.02824	1.0
78.95796	0.2
80.91533	0.2
80.96404	0.8
81.03387	0.2
82.95331	0.2
82.95972	0.3
83.01263	0.4
83.04918	0.3
84.02049	0.2
85.02838	1.3
87.00763	1.1
89.02335	3.6
91.03869	0.2
93.06973	0.3
95.01281	0.5
95.04907	0.2
96.95921	0.5
97.02831	0.2
97.06509	0.4
98.63748	0.2
99.00818	0.3
101.02346	4.5
109.06499	0.5
111.08067	7.0
112.08442	0.2
113.02363	2.7
113.09634	0.3
119.03455	0.9
123.08027	0.3
125.02370	0.3
127.07552	0.6
131.03433	0.3
134.97444	0.2
137.09673	0.2
141.09169	0.4
143.03438	0.5
149.79559	0.2
151.11264	0.5
153.09164	0.2
153.12822	0.7
160.53683	0.1
161.04500	2.1
164.98544	0.2
165.12834	0.3
167.10738	0.6
169.12292	3.0
171.10228	0.6
177.12781	0.5
179.05571	0.8
179.10742	0.4
179.14360	0.8
181.12271	1.4
183.13846	0.7
195.13885	7.4
196.14388	0.8
197.11812	33.0
198.12177	1.5
199.13394	2.3
200.30429	0.2
205.12280	0.6
205.15872	0.3
209.11652	0.2
211.13388	6.1
212.13733	0.4
223.13387	5.4
223.68950	0.1
224.13795	0.4
225.00845	0.3
225.14880	0.2
227.12840	0.8
228.13647	0.7
231.21141	0.5
235.08292	2.5
239.12903	0.5
247.17128	0.2
249.14911	0.3
253.09328	33.1
254.09692	1.2
256.13202	0.9
263.08984	0.2
263.20248	2.6
265.18234	0.7
265.21753	0.4
273.18811	0.5
275.20197	5.3
276.20645	0.4
277.21747	0.8
279.23538	0.3
280.23590	0.3
289.18097	0.6
291.19742	12.4
292.20056	1.2
293.21292	100.0
294.21640	9.0
302.21353	0.2
307.18597	0.2
309.20776	55.1
310.21118	5.4
333.20752	0.2
431.58093	0.2
433.20901	0.4
492.22208	0.5
527.28760	0.5
529.30164	1.2
530.31061	0.3
545.29834	1.4
585.41791	2.3
586.42059	0.7
711.93335	0.2
737.41498	0.3
803.39221	0.4
821.39648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.8
58.00493	0.4
58.68537	0.2
59.00962	0.3
59.01258	5.0
61.98718	17.1
69.03346	1.1
71.01269	4.7
71.04912	0.4
72.99196	0.2
73.02842	1.1
78.95789	0.2
79.95649	0.3
80.02576	0.2
80.91615	0.4
80.96407	0.8
81.03366	0.3
83.01284	0.6
83.04934	0.7
84.02087	0.3
85.02826	1.3
87.00780	1.0
89.02335	3.6
89.02831	0.3
91.03918	0.2
93.03333	0.2
93.07040	0.2
94.97965	0.2
95.01281	0.4
95.04933	0.5
96.95908	0.9
97.02854	2.5
97.06502	0.7
99.00783	0.2
101.02354	5.3
101.48940	0.2
103.74550	0.2
104.08838	0.2
109.06498	0.5
111.08063	4.4
111.08796	0.3
112.08397	0.2
113.02361	2.4
113.09644	0.3
119.03396	1.0
119.04912	0.2
119.08611	0.3
121.06559	0.2
121.10168	0.3
123.04424	0.2
123.08061	0.3
125.09626	0.8
127.07572	0.3
131.03426	0.2
137.09680	1.1
137.61343	0.2
141.09137	0.4
143.03441	0.5
145.05025	0.2
151.11201	0.4
151.17595	0.2
153.12781	0.6
161.04501	2.7
163.05396	0.2
163.11220	1.1
164.54114	0.2
165.12798	2.4
166.10004	0.2
167.10735	0.5
169.12315	1.7
171.10225	3.5
175.11214	0.2
177.12787	0.5
179.05626	0.8
179.10735	0.4
179.14401	1.1
181.12303	1.1
183.13828	0.6
185.11838	0.4
193.12346	0.5
193.15950	0.6
195.13885	9.0
196.14407	0.9
197.11812	18.7
198.12141	1.3
199.13370	1.2
205.12341	1.0
205.15968	0.5
207.13895	0.3
209.11891	1.3
209.15469	0.7
211.13411	4.7
221.11905	0.2
223.13400	6.4
223.16798	0.3
224.13799	0.6
225.00874	0.2
225.14914	0.4
227.12915	2.1
228.13583	0.8
229.19662	0.3
229.48959	0.2
231.21103	0.5
233.15514	0.3
235.08278	2.2
235.17159	0.5
239.13008	0.3
245.18927	0.2
247.20731	1.7
249.14980	0.6
249.22314	0.3
251.16626	0.7
253.09335	28.8
254.09625	1.3
255.23474	0.2
256.13199	1.1
263.20135	0.8
265.18216	0.4
265.21738	0.4
273.18625	1.0
275.20239	7.1
276.20444	0.5
277.21707	0.4
284.00815	0.2
289.17862	0.2
291.19742	25.3
292.20132	2.3
293.21301	100.0
294.21625	9.1
295.22794	0.2
309.20789	61.4
310.21127	5.8
410.35153	0.2
433.20959	0.4
492.22711	0.4
527.29211	0.8
527.36005	0.2
529.30377	1.3
530.30542	0.3
545.29907	1.8
546.30103	0.3
585.41675	2.8
586.42017	0.6
596.77332	0.2
746.50647	0.2
803.38513	0.2
821.39313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.3
58.00458	0.3
59.01266	5.8
61.98716	31.5
62.98376	0.4
69.03314	1.1
69.78735	2.2
71.01260	5.5
73.02808	1.0
78.95753	0.6
79.15620	0.3
79.95593	0.6
80.91594	0.3
80.96410	2.3
81.03310	0.4
83.01261	0.7
83.04882	1.0
85.02816	1.5
87.00747	1.0
89.02336	4.2
89.45800	0.4
96.95877	1.1
97.02850	3.7
97.06481	0.9
99.00711	0.6
101.02351	5.5
109.06429	0.8
111.07378	0.5
111.08060	4.7
113.02343	2.9
119.03386	0.9
121.10146	0.4
123.08028	0.4
125.09605	0.6
127.07546	0.7
137.09622	1.1
141.09177	0.4
143.03439	0.8
147.96527	0.3
151.11139	0.6
153.12836	0.4
153.23105	0.3
155.06448	0.3
161.04485	2.3
163.11205	1.0
165.12790	2.5
166.68221	0.3
167.10715	0.7
169.12250	1.9
171.10236	4.9
177.12750	0.4
179.05556	1.1
179.10695	0.6
179.14368	1.1
181.12328	1.9
183.13818	1.0
193.12312	0.8
193.16043	0.4
195.13878	7.9
196.14255	0.7
197.09976	0.9
197.11800	16.9
198.12114	1.0
199.13377	1.1
205.12216	0.5
205.15947	0.4
209.11731	0.9
211.13373	5.1
221.15425	0.9
223.13367	5.5
225.11403	0.4
227.12846	2.3
228.13651	0.8
231.21156	0.5
235.08197	2.1
247.09566	1.1
247.20671	2.2
249.22365	0.4
251.16525	0.4
253.09309	33.6
254.09605	1.5
256.13303	0.8
263.20197	1.8
265.10550	0.5
265.17978	0.4
273.18677	1.5
275.20206	5.2
276.20432	0.6
277.21783	1.0
291.19720	26.6
292.20117	2.7
293.21280	100.0
294.21594	8.1
300.47678	0.3
309.20770	83.4
310.21109	7.4
427.10016	0.4
436.25003	0.5
492.22104	0.4
527.28870	0.7
529.30682	0.6
540.72131	0.4
545.29944	2.8
582.68359	0.4
585.41663	3.7
586.42615	0.6
731.36975	0.7
803.39185	0.5
821.40863	2.1
822.41376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	15.1
61.98718	6.2
68.40972	1.4
69.03352	2.6
71.01279	13.5
71.52045	2.6
73.02832	1.8
78.95806	4.0
83.01302	2.3
85.02844	3.2
87.00767	1.5
89.02354	5.8
93.03347	3.5
94.06548	2.1
96.95916	63.4
96.96883	3.3
99.00798	2.2
101.02353	5.2
102.18034	1.3
107.03671	1.7
108.04460	9.2
111.04443	2.5
113.02352	4.3
120.04478	67.9
120.08125	3.3
121.04845	2.9
122.06039	25.1
123.00815	1.7
125.02371	2.1
132.04520	2.7
134.06055	4.4
135.04558	1.4
136.07578	1.9
137.02432	1.2
138.05550	12.1
139.98276	1.4
146.04597	2.7
146.06070	1.3
148.03960	2.7
150.05545	29.4
152.07115	10.1
153.07288	1.3
156.16473	1.2
156.42569	1.2
160.03970	2.5
161.04622	3.4
162.05605	1.3
166.05019	1.4
168.06616	30.4
169.07001	2.6
173.04515	8.1
174.05464	1.3
175.39844	1.4
179.03543	1.9
184.83032	1.5
190.05078	4.8
191.05565	7.9
206.04634	2.7
209.11819	3.0
213.10226	2.4
213.89972	1.4
215.11882	3.1
223.08656	3.0
224.09552	2.5
225.06715	4.0
225.10263	2.7
226.07399	4.2
227.08211	2.7
236.05885	1.4
237.06721	3.1
237.10327	4.1
238.07545	6.0
239.08255	7.3
239.11897	2.2
240.09009	3.0
241.09808	3.6
241.13431	2.4
249.10245	1.6
250.07417	1.4
251.08319	6.3
251.11896	1.7
252.05370	5.0
252.09326	1.5
253.06215	6.2
253.09763	6.9
255.11298	2.1
262.07440	1.7
263.08310	3.5
264.09161	3.4
265.06271	3.2
265.09875	7.5
266.07025	26.0
266.09860	2.1
267.07767	12.6
267.11423	4.4
268.08566	1.6
269.09433	1.7
269.13031	2.5
277.09872	5.5
278.10614	2.2
279.08072	9.4
279.11081	8.2
280.08627	7.6
280.11414	1.5
281.09332	6.3
282.09772	1.5
283.10980	3.9
284.11057	1.7
285.12524	1.9
291.07471	1.9
291.11264	1.7
293.09451	7.2
293.12531	1.9
294.10214	8.6
295.10971	22.7
296.11569	3.2
297.12274	2.9
298.09717	6.8
299.10297	8.9
300.11246	2.3
305.09396	2.5
307.10989	4.1
310.09778	1.6
311.10751	3.1
321.08826	10.5
322.09717	4.9
323.10443	6.0
338.09308	2.4
339.09927	11.0
339.13678	4.5
340.10611	4.1
341.11560	4.2
351.13806	2.0
353.11465	9.3
354.12109	10.2
355.13028	4.5
358.11847	2.9
360.17328	5.4
362.15094	1.8
371.12634	4.2
372.13354	2.3
373.14499	1.6
374.15057	2.2
386.15314	4.6
388.13065	6.5
400.16895	3.3
402.18246	4.7
406.18100	1.9
416.16083	4.0
418.18103	2.6
420.15753	6.5
428.16187	3.9
442.18076	2.3
444.15674	4.1
446.17227	4.0
460.19058	13.9
464.17987	2.3
473.15298	2.0
475.17563	5.1
476.18069	4.8
487.17621	3.9
504.18015	3.0
505.18457	2.3
506.19342	2.6
518.19653	2.6
519.20123	1.9
520.20807	5.7
536.20636	9.8
565.24963	4.0
567.22906	2.2
578.21875	1.8
581.23822	2.2
583.25830	4.3
587.25415	2.6
597.24762	1.6
599.25354	3.2
609.23694	18.9
610.24023	2.2
611.25482	2.0
623.24835	4.6
627.24780	36.8
628.24872	6.1
629.26233	5.3
630.27344	2.2
641.26337	100.0
642.26685	21.4
655.24408	1.5
659.27319	66.4
660.27747	13.9
669.25806	4.5
683.27313	3.8
699.27307	3.8
701.28351	47.2
702.28601	11.6
729.28253	9.7
731.29218	9.5
761.30511	23.7
762.31158	5.6
789.29938	16.2
790.30658	2.9
821.32782	20.7
822.32745	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	819.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.4
58.00484	0.2
59.01261	4.7
59.01537	0.2
61.98716	56.5
64.84398	0.2
69.03338	0.3
71.01266	5.6
71.04916	1.6
71.58572	0.3
72.99204	0.5
73.02849	0.8
75.00780	0.3
78.95791	0.3
79.95627	0.3
80.02577	0.4
80.96399	1.0
81.03356	0.7
82.95309	0.3
83.01285	0.5
83.04932	0.8
85.02837	1.3
87.00777	0.9
89.02330	3.0
91.03925	0.2
93.03362	0.3
94.97974	0.2
95.01283	0.3
95.04919	1.1
96.95921	0.2
97.02856	0.2
97.06481	0.5
98.03605	0.5
99.00761	0.3
101.02348	4.5
106.04171	0.5
107.04940	0.5
109.02869	0.2
109.06499	7.3
110.06830	0.2
111.04431	2.2
111.08066	1.3
113.02341	1.9
113.09582	0.3
119.03430	0.6
121.06505	0.4
121.10181	0.2
123.08077	1.3
127.07578	1.0
133.10147	0.2
135.08075	0.5
137.06018	0.2
137.09668	0.6
139.07503	0.2
141.09174	0.2
143.03458	0.5
143.10712	0.9
145.05008	0.4
145.06520	1.4
149.06020	0.3
149.09694	1.2
151.11214	0.8
159.08066	0.3
161.04507	1.8
161.09726	0.2
163.11208	0.5
167.10706	1.8
171.10165	0.9
172.10481	0.3
173.04562	0.2
177.09126	0.3
177.12796	0.6
177.16492	0.2
179.05537	0.4
179.10733	1.1
179.14389	0.6
181.12292	0.7
187.11334	0.2
191.14400	0.6
195.13884	9.5
196.14397	0.6
201.55542	0.2
205.12306	0.5
205.15955	0.3
207.17555	0.3
209.11812	0.3
211.13374	0.5
215.14491	0.2
217.16051	0.3
223.13396	4.8
224.13844	0.5
225.00752	0.3
225.14922	0.3
225.90143	0.2
228.13680	0.7
235.08252	2.4
235.13466	0.5
243.17834	0.3
245.19141	4.5
246.19395	0.3
247.17268	0.3
249.14896	0.2
251.16527	0.5
253.09317	16.6
254.09724	0.6
256.13217	1.0
259.13257	0.2
261.18765	0.3
271.17084	1.1
273.14951	0.6
275.20203	6.0
276.20462	0.4
277.21729	1.0
278.22089	0.7
279.22647	0.2
287.16574	1.6
289.18149	100.0
290.18506	7.5
290.21634	0.4
291.19690	0.5
293.21283	83.6
294.21622	7.0
294.24506	0.2
307.19196	4.8
308.19635	0.4
309.21033	0.3
484.26956	0.2
492.22110	0.3
525.27063	3.7
526.27423	0.5
529.30206	0.7
565.39075	0.5
732.40729	0.4
819.37280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
58.00437	0.3
59.01267	5.3
61.98718	30.9
61.99021	1.2
67.34230	0.3
69.03305	0.7
71.01270	4.7
71.58865	0.4
72.50509	0.3
73.02803	0.8
76.66718	0.3
78.95750	0.7
79.25452	0.3
80.02547	0.4
81.03312	0.7
83.01247	1.2
83.04880	0.7
85.02800	1.3
87.00730	0.9
89.02345	3.1
95.01254	0.3
95.04888	0.6
97.02826	0.9
97.06503	1.9
99.00760	0.4
101.02348	4.1
109.06479	0.5
113.02379	1.6
119.03390	1.1
119.08506	0.4
121.06478	0.6
123.04390	1.3
123.08015	0.5
125.09652	2.1
135.07983	0.4
137.09595	1.0
141.12788	0.4
161.04543	1.9
161.09653	0.3
163.11223	2.5
165.12779	0.5
167.10675	1.0
171.10312	0.5
175.11234	0.3
179.05544	0.5
179.10690	0.6
179.14394	0.5
181.12184	0.5
185.11819	3.9
189.02226	0.3
191.10637	0.4
191.14407	3.6
195.13892	8.2
205.12338	0.7
205.15939	0.4
207.10277	1.4
209.11833	7.7
210.12190	0.4
211.13359	1.0
217.15923	0.6
223.13408	7.4
225.11342	1.2
228.13551	0.6
231.21045	0.5
235.08275	1.9
237.11357	2.7
245.19153	7.1
246.19318	0.3
253.09340	19.7
254.09601	0.9
256.13214	1.5
263.20230	1.7
271.17075	1.1
275.17401	0.5
275.20248	5.5
276.20557	0.6
277.21823	1.6
289.18164	40.2
290.18512	3.4
291.19659	0.4
293.21301	100.0
294.21631	8.6
305.17697	0.4
307.19223	41.7
308.19666	3.3
309.20752	0.5
445.20700	0.5
492.22552	0.5
525.27338	0.9
529.30334	0.5
543.28516	1.1
565.38910	0.4
583.40143	0.7
819.49817	1.0
820.50183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93042	0.4
59.01264	100.0
60.01619	1.0
61.98717	5.6
71.01275	1.9
73.02855	0.4
78.95804	0.7
80.96419	0.8
85.02868	0.7
87.00784	0.7
89.02330	2.4
96.99246	0.6
97.02864	0.7
99.77787	0.4
101.02351	2.7
113.02341	0.9
119.03367	0.7
125.02361	0.8
129.17947	0.4
135.41002	0.4
141.01628	59.5
142.01962	1.3
161.04605	0.5
189.75699	0.4
197.11819	0.6
201.46513	0.5
222.96779	0.4
235.08212	0.5
262.25162	0.5
277.21786	0.5
279.23389	6.1
280.23755	0.5
289.18060	0.6
291.19666	1.2
293.21384	0.4
309.20850	0.7
361.23709	4.2
397.13632	10.7
398.13986	0.8
415.14456	1.4
419.11658	2.3
437.12952	3.3
438.13181	0.4
469.06512	0.4
677.37695	1.5
699.35553	3.2
700.36237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.9
61.98719	100.0
62.31773	0.8
71.01275	54.0
71.59047	1.1
75.00776	4.2
75.12080	0.8
78.95806	1.0
86.68212	0.8
87.00782	0.9
88.98703	0.8
89.02351	2.4
96.84769	0.8
101.02348	1.3
101.75337	0.9
103.50286	1.0
109.06523	2.6
127.11228	1.3
143.03442	0.8
153.09251	0.7
153.10643	1.0
165.33051	0.8
171.10236	47.8
172.10593	3.6
181.08688	1.3
199.09671	4.7
201.11259	2.5
207.10254	6.2
209.11781	1.3
225.11377	3.7
235.08325	1.4
241.14758	0.9
241.22165	0.9
253.09280	4.9
277.21790	34.9
277.24863	1.7
278.22220	3.3
289.18320	1.2
435.19061	1.0
721.42419	1.1
723.71014	1.1
752.31030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68695	0.3
59.01263	100.0
60.01602	0.9
61.98717	13.3
69.03326	0.3
70.34760	1.0
71.01262	2.8
72.99174	0.3
73.02859	0.5
78.95805	0.3
80.96401	0.9
81.44718	0.3
85.02836	0.5
87.00768	0.6
89.02338	2.0
91.55805	0.3
97.02851	0.9
99.00725	0.4
101.02334	2.0
106.59063	0.3
113.02363	0.9
119.03395	0.5
125.02367	0.8
135.04436	0.3
138.72180	0.4
139.00281	0.3
141.01627	58.5
142.01958	0.9
143.03329	0.4
153.01740	0.3
159.89258	0.3
161.04459	0.7
179.05614	0.5
209.11859	0.7
235.08282	0.6
243.04863	0.7
253.09348	0.3
277.21799	6.8
278.22070	0.6
293.21252	0.6
344.01300	0.3
359.22137	5.1
360.22464	0.6
394.04520	0.3
397.13586	10.3
398.13956	0.6
415.14816	1.7
419.11887	2.1
420.98123	0.3
437.12894	3.7
438.13232	0.5
491.24966	0.3
610.35828	0.4
675.35632	1.0
676.37122	0.4
697.34344	2.8
698.34839	0.5
774.80853	0.3
817.50818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	5.2
60.12802	0.9
61.98720	100.0
71.01270	76.0
71.60117	1.4
75.00768	14.1
78.07088	0.8
78.32093	0.9
78.95788	3.2
80.96417	1.9
82.38947	0.9
85.02779	0.9
89.02334	1.2
96.95909	0.9
101.02335	2.5
109.06510	2.7
113.02337	1.2
113.54159	0.9
116.31333	0.9
127.11211	1.7
135.08044	0.8
147.19502	0.9
154.40257	0.9
161.04475	0.9
163.11140	1.9
171.10225	61.9
172.10570	2.4
190.71628	1.2
199.09706	7.6
201.11282	4.8
207.10257	10.5
209.11726	5.0
225.11382	5.4
235.08336	2.1
241.14629	1.1
253.09373	6.8
259.01831	1.0
277.21783	42.6
278.22083	3.3
279.44772	0.9
287.11475	0.9
346.04202	1.0
348.09012	1.0
407.19205	2.3
514.53418	0.9
544.62573	0.9
691.54218	1.0
695.39935	1.7
721.42322	2.1
726.43872	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	817.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01602	1.0
60.35392	0.4
61.98716	30.4
62.76388	0.3
67.95844	0.3
69.03350	0.6
71.01269	2.9
71.58965	0.4
73.02833	0.4
78.95818	0.5
85.02862	0.7
87.00782	0.6
89.02339	2.0
96.99229	0.9
97.02858	1.1
99.00805	0.3
101.02357	1.7
113.02348	1.1
119.03390	0.5
125.02326	0.5
131.80188	0.3
139.00284	0.5
141.01628	55.6
142.01987	1.1
143.03360	0.4
161.04559	0.8
197.11766	0.6
209.11777	0.6
219.16161	0.3
235.08257	0.8
243.04939	0.6
277.21768	5.4
278.22092	0.4
280.07526	0.4
295.70380	0.3
309.20764	0.4
359.22110	4.2
360.22260	0.4
397.13593	11.0
398.13898	1.2
415.14697	1.9
419.11737	1.8
437.13000	3.1
469.06442	0.4
671.21997	0.3
675.36005	0.9
697.33759	2.6
698.33954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01583	1.2
61.98717	21.1
63.82681	0.6
69.03342	1.2
71.01276	3.2
71.59821	0.9
72.49065	0.6
80.96438	1.0
85.02838	0.7
89.02348	1.9
90.70468	0.5
95.01272	0.7
96.99229	2.2
97.02869	2.2
101.02352	2.4
112.40797	0.5
113.02390	1.7
119.03409	0.7
125.02366	0.8
132.35039	0.6
139.00227	0.9
141.01637	56.1
141.10590	0.5
142.01993	0.9
142.04967	0.6
143.03491	0.6
191.22197	0.5
197.11905	1.6
209.11937	1.0
231.83897	0.5
235.08223	0.8
277.21793	6.4
359.22147	4.9
386.13919	0.6
397.13605	10.8
415.14499	2.6
419.11914	2.4
437.12949	3.5
675.36731	0.9
697.34009	3.4
698.34875	0.8
798.00140	0.7
817.51801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	67.2
61.98718	30.6
69.03342	4.0
71.01275	3.4
78.95807	2.5
80.96403	3.7
81.00519	1.0
85.20737	1.1
87.00833	1.0
93.03367	1.6
96.95921	7.4
98.20555	3.5
108.02049	2.0
109.02847	2.6
112.47794	1.1
119.01318	5.6
119.04957	1.5
121.02879	5.7
123.04417	2.9
134.03654	11.4
135.04422	5.2
136.01558	3.5
136.07574	1.3
137.02353	7.3
145.02852	2.4
147.00829	9.0
147.04483	2.7
148.01616	6.3
149.02400	6.7
149.06013	7.5
151.03923	2.2
159.04466	7.4
160.05229	6.8
161.06053	9.5
162.03204	6.8
162.06816	3.4
163.03944	11.8
164.01097	4.7
164.04736	16.3
165.01891	19.0
165.03264	2.1
165.05562	2.1
166.02504	1.1
171.10181	1.7
175.03891	1.7
175.07625	9.1
176.04716	2.4
177.05505	6.7
177.09125	2.8
179.03476	26.1
179.07092	32.0
180.04131	2.9
185.06044	4.9
186.06822	19.0
187.07466	2.8
190.06302	1.5
191.03458	13.5
191.07101	2.2
192.04185	1.6
194.05804	5.1
201.05551	4.6
201.09195	17.7
202.06276	3.2
202.09563	1.9
203.07051	2.5
205.08685	6.1
206.05791	4.7
209.11790	2.6
217.08757	3.5
221.08191	18.0
222.08469	1.4
223.09764	6.4
229.35635	1.1
237.05652	1.3
241.01225	1.1
283.06177	1.1
297.07480	1.3
313.10934	3.0
325.07257	1.7
331.45773	1.4
337.14487	8.1
339.12534	3.1
341.10397	3.2
353.14008	2.1
355.11749	3.8
355.15710	3.7
356.12845	3.8
367.11816	4.8
369.13141	1.1
371.14993	5.0
382.14368	3.6
383.14978	4.9
386.13800	1.9
387.14313	2.1
397.16647	5.1
401.16101	11.5
402.16263	1.7
413.16312	6.3
414.16699	2.8
415.17773	20.1
416.18085	2.4
515.20679	4.6
518.19257	2.0
533.21936	28.1
534.22095	5.0
551.23010	4.7
552.23383	1.4
578.21588	1.4
593.24084	100.0
594.24402	18.4
609.27209	1.8
701.41974	1.2
816.48376	1.6
817.34711	7.4
817.50342	3.5
818.35333	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	817.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01266	100.0
60.78752	1.0
61.98718	40.0
69.03345	11.4
71.01261	1.9
74.09462	0.9
77.03843	1.0
78.95829	1.7
80.96402	6.1
83.04947	1.5
93.03373	3.0
95.04920	1.1
96.95945	1.5
101.02318	1.4
108.02090	4.0
109.02830	1.2
116.92756	1.3
121.02869	18.1
123.04430	8.7
132.02069	4.7
133.02913	4.8
134.03667	37.7
135.04385	3.5
137.02377	1.4
137.34312	1.0
145.02917	1.5
147.04472	7.5
148.01596	1.4
148.02689	1.2
149.02391	50.7
149.06023	54.8
150.03192	14.8
150.06371	3.0
151.03926	3.7
159.04460	5.6
160.05247	17.5
161.02380	4.0
161.06027	6.3
162.03165	2.4
162.06804	3.5
163.03951	1.6
164.04745	21.8
164.98512	1.2
165.05522	9.2
166.05826	1.0
173.06039	4.4
174.03180	2.0
175.03992	20.3
175.07602	43.2
176.04732	10.8
176.07901	1.9
177.01889	6.5
177.05466	3.7
177.09177	2.0
178.02687	3.9
179.03458	4.1
179.05536	1.1
179.07103	21.9
180.07428	1.4
185.06055	1.2
189.05579	3.8
190.06329	8.1
191.03574	2.4
191.07100	22.3
192.02791	1.0
192.04291	6.4
193.05032	4.6
201.05544	20.7
201.11305	2.9
202.06117	1.9
203.03540	1.1
203.07106	1.1
205.08699	12.2
206.05763	1.4
206.08992	1.2
207.06578	7.3
207.10213	2.3
208.07330	5.6
209.11810	9.3
210.12228	1.8
215.07118	2.5
216.04543	1.1
216.07919	20.3
217.05066	13.5
217.08566	3.2
218.05739	3.2
221.08264	2.5
223.09755	21.9
227.13008	1.1
229.22879	1.0
231.06758	1.4
231.10281	26.4
232.07390	3.7
232.10542	1.8
233.08205	3.4
247.09752	5.6
249.11292	1.6
251.09367	1.1
253.09395	1.7
265.04953	1.2
275.20474	1.1
277.05200	1.2
293.21277	4.2
309.20813	1.6
313.10883	2.8
323.09482	1.9
337.10941	3.1
339.12387	5.9
341.10306	2.3
341.13992	1.3
351.12466	2.5
352.13187	5.2
353.13922	3.5
355.11832	3.6
355.15656	2.2
356.12698	9.4
357.13278	3.3
367.15695	8.4
369.13211	1.0
370.14191	1.6
371.15030	29.3
372.15430	3.8
373.16696	8.7
382.14160	2.8
383.15070	4.8
385.16608	10.5
397.12299	1.7
397.16928	7.1
412.15378	3.2
413.15936	5.9
427.17419	2.3
429.15500	1.4
430.16574	1.4
431.17108	2.4
433.32813	1.1
443.17261	4.6
444.17780	1.7
445.18771	52.6
446.19254	7.9
515.21002	2.6
524.99689	1.2
533.21942	41.0
534.22113	7.0
551.22864	6.4
552.22668	1.2
577.24323	1.3
593.24091	74.5
594.24371	14.8
739.31940	1.6
757.32758	5.8
758.32703	1.5
775.33527	1.7
817.34863	19.6
817.50983	7.0
818.34949	4.0
818.49561	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	817.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.01265	100.0
60.12508	0.7
61.98717	27.8
66.94691	0.7
69.03341	6.4
71.01305	1.3
71.56458	1.1
78.95789	0.9
80.96397	2.7
82.67619	0.7
83.04942	1.6
93.03353	5.8
96.95894	4.0
98.39855	1.1
108.02106	2.1
109.02860	2.4
119.01292	1.9
119.04946	3.2
121.02857	8.2
123.00780	1.0
123.04432	2.6
124.01623	2.0
131.04948	0.8
134.03694	3.7
135.00804	1.6
135.04451	1.4
136.01576	3.8
137.02365	7.5
138.03137	1.4
143.04971	0.9
145.02866	1.2
145.06529	3.2
147.00868	4.5
147.04468	5.1
147.08115	0.9
148.01598	5.8
149.02391	19.1
149.06023	7.2
150.03136	3.3
151.03938	6.6
159.04445	1.5
160.01672	0.9
160.05191	1.8
161.02353	1.4
161.06012	3.1
162.03165	3.8
162.06834	2.7
163.03961	7.1
164.01089	4.4
164.04742	35.2
165.01889	19.8
165.05385	3.7
166.02469	1.1
173.02539	0.9
173.04536	1.5
173.06023	3.4
174.03180	2.4
175.03970	27.0
175.07626	4.0
176.04773	4.6
177.01889	8.6
177.05536	3.4
177.09157	0.8
178.02705	4.8
178.49220	0.9
179.01848	1.6
179.03474	37.4
179.07092	63.9
180.04250	7.1
180.07439	3.5
187.03995	0.9
188.04811	0.9
189.05577	4.2
190.06340	20.5
191.03487	12.4
191.07069	5.2
192.04251	10.6
193.05009	6.3
193.08675	5.5
194.05814	7.7
195.06618	2.5
201.05547	26.9
202.05988	2.7
205.08684	45.8
206.05841	6.9
206.09003	2.1
207.06560	8.5
207.10260	1.9
208.07280	1.3
209.11835	1.4
211.13367	0.9
215.07126	1.7
216.07927	21.9
217.05060	17.7
217.08517	2.5
218.05869	4.1
219.06592	1.7
221.08200	21.6
223.09760	4.7
225.11420	1.0
231.06670	1.7
231.10268	29.7
232.07376	3.4
232.10617	1.8
233.08258	4.5
234.08879	1.0
239.55252	0.7
247.09885	5.8
248.10146	0.9
249.11514	1.3
309.20834	1.1
310.90027	0.8
322.12018	1.8
325.10950	0.9
326.11563	1.1
337.11011	1.5
337.14578	3.0
339.12512	1.3
340.12912	1.1
341.10385	0.9
343.11850	2.6
351.12384	1.4
352.13245	3.1
353.14014	1.9
355.15576	2.5
357.13440	1.8
367.15689	7.8
369.13599	4.2
370.14380	1.2
371.11179	2.3
371.15128	9.8
372.15802	1.3
373.16620	10.9
374.16687	0.9
382.13962	1.4
383.15152	2.7
384.15726	1.8
385.12842	2.0
385.16867	9.5
386.13492	1.5
387.14569	2.2
397.12845	3.7
401.16101	12.1
402.16556	1.9
403.17657	5.4
412.15338	5.6
413.16064	2.1
414.17035	1.1
415.17758	17.3
416.17743	1.2
425.16248	1.0
427.17578	9.5
429.15335	1.6
430.16086	1.2
431.16977	2.1
443.17236	6.8
444.17764	2.6
445.18747	38.7
446.18890	5.8
533.22009	8.0
534.22083	1.1
551.23004	1.6
563.22986	21.3
563.31354	1.6
564.22925	3.0
577.24139	1.9
581.24207	2.5
593.24078	40.3
594.24219	9.1
595.26105	1.0
623.25128	53.1
624.25439	12.1
689.98724	1.0
739.31952	1.3
757.32520	8.6
758.32080	2.4
775.34528	1.3
817.34973	18.5
817.50372	2.7
818.34869	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	813.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
57.58921	1.6
59.01267	15.9
61.98719	16.5
63.34886	1.3
66.50086	1.1
69.03352	2.7
71.01275	11.6
72.99220	2.0
73.02829	2.1
78.95774	1.4
83.01257	1.7
83.04906	2.5
85.02835	3.2
87.00754	1.4
89.02339	3.3
95.01289	1.5
97.02861	12.5
97.06485	2.6
97.70126	1.2
98.19767	2.8
99.00781	13.2
101.02352	5.2
109.06498	3.7
110.03645	2.0
111.04430	2.9
111.08047	4.5
113.02361	3.3
123.04436	1.5
125.05920	1.3
125.09642	6.6
135.08148	2.1
136.05212	1.8
142.02641	3.3
151.11197	1.9
161.04572	1.8
161.09628	3.1
163.11234	10.6
165.12764	3.8
169.12228	2.2
171.10222	10.2
177.09053	1.9
179.10751	1.7
181.12303	17.8
197.11838	23.0
199.13300	3.3
205.08707	2.1
207.10255	54.8
208.10587	3.6
209.11795	9.5
211.13403	5.3
223.09776	8.4
223.13358	3.3
225.11328	100.0
226.11760	6.4
227.12909	3.7
235.08241	6.1
243.12387	13.9
244.12798	2.2
247.20773	2.3
251.87863	1.4
253.09303	11.1
291.19736	24.9
292.20026	1.8
293.21298	15.5
294.21619	2.3
307.19177	2.5
309.20776	66.8
310.21149	5.0
346.97241	1.5
461.20358	25.6
462.20734	3.5
462.70404	1.4
545.30206	1.7
642.52527	1.5
735.39606	5.7
753.40771	57.9
754.40784	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	815.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.6
59.01260	4.4
61.98701	1.4
71.01261	3.5
72.99153	0.7
73.02834	1.7
78.95796	23.9
80.02567	1.3
80.96340	0.5
81.03354	1.0
83.01262	0.5
83.04918	4.4
85.02863	1.1
87.00735	0.6
88.98640	0.5
89.02320	2.1
95.04937	0.5
96.95907	0.5
96.96855	5.9
97.02849	0.5
101.02323	2.7
109.06487	0.9
109.94474	0.4
113.02337	1.6
113.98952	0.4
119.03383	0.6
119.85015	0.4
125.06017	1.3
125.09655	1.1
127.11255	0.7
135.08084	0.6
152.99525	5.2
155.10718	0.7
161.04460	0.6
163.11244	3.7
165.12837	2.3
171.10219	13.7
172.10645	0.7
174.21747	0.5
181.12297	0.9
185.11729	0.8
191.10674	0.6
193.13481	0.5
199.09761	1.5
201.11330	1.7
207.10260	1.0
208.10542	0.4
209.11821	100.0
210.12161	6.0
215.12914	0.6
223.00145	1.3
225.11264	1.5
227.12888	11.6
235.08336	2.2
241.01234	12.8
253.09346	6.6
255.23343	13.3
255.83008	0.5
256.23703	1.6
259.02377	1.1
261.13425	0.7
275.17819	0.4
277.21786	60.5
278.22180	6.8
297.04111	0.5
315.04803	0.7
320.09979	0.4
391.22604	0.5
445.21017	3.5
513.30548	0.8
703.73615	0.5
725.39008	12.2
726.39594	2.5
779.39709	0.6
797.40887	12.9
798.41394	3.1
815.41882	4.7
816.43042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.7
63.96120	1.3
69.03340	0.6
71.01273	6.2
71.04655	0.3
71.57505	0.6
73.02821	1.4
78.95810	0.9
78.98479	5.7
79.95261	0.1
79.95625	12.3
80.96410	64.2
81.03355	0.3
83.01259	0.4
85.02840	2.2
87.00762	2.3
94.97988	14.7
95.01300	0.3
96.95914	1.1
97.02859	1.1
99.00794	0.7
99.04419	0.4
99.92519	0.3
101.02352	1.2
106.97981	2.6
113.02367	0.4
122.97496	2.0
125.02367	1.7
127.03947	0.5
134.97519	4.0
135.05595	0.3
136.99052	0.9
146.97557	0.4
148.41386	0.3
148.99086	4.0
151.06215	0.3
152.98553	3.0
152.99580	0.4
156.30042	0.3
159.84651	0.3
164.98586	6.4
168.14110	0.3
169.76067	0.3
174.99199	0.8
182.99634	0.3
188.98627	0.6
206.99649	1.0
217.00262	2.5
220.99586	0.6
224.98700	0.6
225.00763	8.2
225.90906	0.3
226.01094	0.3
232.97437	0.3
233.56120	0.3
255.23399	1.0
277.21838	1.0
351.32166	0.3
358.22223	0.3
383.74957	0.3
445.63605	0.3
537.27301	0.7
559.25842	0.9
586.49908	0.3
700.20660	0.3
700.33142	0.3
742.53314	0.3
815.50018	100.0
816.50293	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	813.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.8
58.00480	3.0
59.01265	57.9
60.01592	0.6
60.99179	0.7
61.98714	3.7
62.82293	0.5
69.03342	3.1
70.64972	1.5
71.01269	40.1
72.01606	1.0
72.99198	6.3
73.02837	6.2
75.00753	1.1
78.95779	0.4
81.03324	0.5
81.71176	0.4
83.01296	3.8
85.02353	0.7
85.02844	13.6
85.99992	0.9
86.03178	0.5
87.00776	6.0
87.04404	1.5
88.98705	2.5
89.02338	33.2
90.02646	0.6
90.27695	0.4
93.03330	0.8
95.01286	3.3
96.95937	2.9
97.02843	1.4
98.20387	0.6
98.66817	0.4
98.95461	0.7
99.00783	1.9
99.04430	0.7
101.02347	23.6
103.03909	3.5
105.01839	0.8
108.19926	0.4
109.02833	0.8
113.02363	14.8
115.03910	2.0
117.03394	0.9
119.03420	11.7
119.04919	1.4
120.86121	0.5
122.06022	0.5
123.04395	0.7
125.02361	1.1
127.03946	0.6
131.03419	4.6
133.02866	0.6
135.04465	1.1
143.03445	6.8
145.02885	4.2
145.05023	1.1
149.04523	0.5
150.06786	0.4
152.07127	0.7
153.05508	0.6
160.01599	0.6
161.02431	1.1
161.04494	2.1
163.04008	2.3
163.06071	6.6
173.04544	2.2
175.03876	0.8
179.05577	4.6
181.04930	0.4
185.00821	1.6
191.05540	0.9
193.05029	0.7
205.07132	4.8
239.66110	0.6
247.08231	3.0
264.87045	0.5
266.87723	0.6
273.85739	0.5
291.06610	0.5
315.07455	0.7
315.10965	1.0
384.64676	0.5
429.15588	1.5
497.14813	0.9
607.34937	2.4
627.37622	1.6
680.08917	0.5
753.40814	100.0
754.41107	22.3
813.40625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29424	0.2
59.01262	1.1
59.32291	0.2
63.22466	0.2
69.94520	0.6
69.94910	0.4
71.01262	0.3
78.95795	4.9
83.04895	0.3
95.04907	0.3
97.06481	0.5
99.27206	0.2
109.06517	0.2
119.04945	0.4
125.05986	0.5
127.07526	0.3
141.09129	0.3
148.08858	1.0
149.09680	0.2
149.88977	0.2
150.10440	1.1
151.11237	0.5
152.99545	1.5
163.11206	1.1
165.12796	20.3
166.13098	1.3
168.04295	1.1
175.11215	0.8
176.11996	0.5
177.12793	0.3
186.97044	0.3
189.12924	0.3
190.10034	0.2
191.14360	0.6
193.12334	0.4
217.15904	0.7
224.06978	0.6
233.22964	0.2
236.31670	0.3
242.08011	2.1
247.20702	11.3
248.21223	1.2
273.18680	5.3
274.18954	0.4
277.21771	63.3
278.22098	6.2
291.19717	100.0
292.20056	9.4
292.23337	0.5
394.57672	0.2
502.29514	37.0
503.29797	5.4
619.77423	0.3
693.73712	0.3
749.44293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00805	0.8
59.01269	10.8
61.98714	4.0
63.51952	0.9
69.03333	3.0
71.01279	6.9
71.25375	1.8
73.02850	1.0
78.95815	0.9
80.56530	0.7
83.04929	1.1
85.02872	1.2
87.00780	2.0
88.03936	1.8
88.22225	0.7
89.02341	3.5
89.53319	0.8
93.03353	1.0
96.95883	1.5
97.02842	3.1
99.00705	0.8
101.02349	5.0
109.06451	1.3
109.31445	0.7
111.08082	3.1
113.02342	2.3
119.03412	1.7
125.09624	1.4
129.87207	0.9
161.04520	2.5
163.11220	1.0
165.12802	2.7
167.10699	3.1
169.12282	1.5
171.10217	2.3
179.10641	1.9
179.14326	2.6
181.12296	1.3
183.13869	1.2
191.05562	1.1
193.12440	1.0
195.13873	8.9
196.14211	1.0
197.11816	11.8
205.12306	7.5
207.10297	1.5
209.11792	3.6
209.15376	0.9
211.13406	2.8
223.13397	100.0
224.13832	6.1
225.11276	1.6
227.12915	1.6
235.08308	6.0
247.20671	2.0
253.09367	13.3
277.21774	2.4
291.19727	19.4
292.20047	2.0
293.21191	1.9
297.31583	0.8
309.20776	56.1
310.21039	5.7
433.20587	1.0
459.15912	1.4
459.22473	15.3
460.22684	2.7
515.33899	1.4
527.28741	1.7
545.29852	3.9
751.42584	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	807.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
59.01263	6.2
69.03339	0.4
71.01269	6.5
71.58744	0.5
73.02830	0.8
78.95762	0.4
80.03838	0.3
80.96403	1.0
81.03366	0.3
83.01274	0.5
83.04921	0.4
84.04760	0.3
85.02837	1.7
87.00764	1.4
89.02340	5.4
94.97958	0.4
95.01294	0.5
97.02847	0.9
101.02350	6.0
101.14758	0.3
113.02349	2.3
113.09658	1.7
116.92728	0.4
119.03418	1.1
125.02359	1.3
143.03401	0.8
161.04501	2.4
164.98676	0.3
171.10219	16.3
172.10579	0.9
179.05566	0.8
179.14345	1.1
181.12349	0.5
195.13884	20.4
196.14323	1.1
205.12265	0.4
205.15976	0.3
211.13377	0.5
223.13406	4.2
224.13829	0.3
228.98500	0.3
231.21411	0.3
235.08325	1.8
253.09326	25.0
254.09714	1.0
255.23328	11.7
256.23648	1.1
262.10364	0.4
265.21869	0.3
269.25046	0.4
275.20230	4.1
277.21793	13.4
278.22107	1.4
293.21295	64.5
294.21619	6.1
295.22842	100.0
296.19818	0.5
296.23181	10.5
379.12448	1.8
397.13556	5.8
398.13962	0.7
415.14630	1.4
512.00507	0.3
529.30292	1.0
531.31915	1.2
571.43768	3.0
572.44171	0.3
587.69995	0.3
807.42719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.2
59.01262	2.8
64.76947	0.1
69.03342	0.2
69.65632	0.6
71.01265	2.5
71.04928	0.1
72.99202	0.1
73.02850	0.4
83.01291	0.3
83.04929	0.1
85.02858	0.6
87.00745	0.4
89.02341	1.8
95.01304	0.2
95.04911	0.2
97.02849	0.1
98.20504	0.2
99.00779	0.1
101.02348	2.2
102.03133	0.1
104.01433	0.1
109.76633	0.1
111.08082	0.3
113.02356	1.1
113.09658	0.2
119.03441	0.5
121.50307	0.1
125.02375	0.1
131.03409	0.1
131.17294	0.1
141.09131	0.2
143.03459	0.2
149.04495	0.1
161.04503	1.3
167.10715	0.2
177.12833	0.1
179.05586	0.4
179.10860	0.2
179.14357	0.6
181.12277	0.2
195.13884	7.1
196.14465	0.8
197.15440	0.1
197.44891	0.1
205.12294	0.7
205.15985	0.3
211.13422	0.5
223.13400	5.2
224.13892	0.4
225.14998	0.2
228.13649	0.6
231.21191	0.4
235.08235	0.7
239.13045	0.1
249.22267	0.2
253.09328	17.9
254.09650	0.7
256.13229	1.1
265.21799	0.4
275.20206	5.1
276.20639	0.4
293.21286	100.0
294.21616	8.6
294.25171	0.1
296.30353	0.1
351.74756	0.1
434.46014	0.1
440.08554	0.1
492.22098	0.5
529.30365	1.3
530.30646	0.2
569.42169	1.6
570.42255	0.3
756.88165	0.1
768.42786	0.1
781.68384	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	805.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
59.01254	0.7
61.98720	7.7
71.01267	1.4
71.59904	1.0
71.60265	0.5
78.95801	1.1
78.98466	0.7
79.95625	1.9
80.96411	9.6
82.95299	1.0
85.02859	0.7
93.06993	0.6
94.97973	1.6
96.95934	0.9
97.06483	1.3
101.02337	0.5
110.00137	0.5
113.02386	0.5
121.10147	7.3
123.08109	0.8
125.09657	5.4
129.01376	0.4
141.12799	0.7
147.08119	0.5
148.99084	1.0
152.98537	0.9
164.98598	1.4
171.10252	0.4
185.11795	9.4
186.12157	0.7
197.11775	2.7
206.99861	0.5
209.11812	1.8
211.13417	1.5
223.13416	0.9
225.00726	2.4
247.20590	0.8
253.09320	0.8
273.18460	0.7
277.21854	5.8
278.22119	0.6
279.23407	0.8
289.17917	0.4
291.19730	100.0
292.20053	8.8
476.28067	0.6
549.00305	0.5
710.42877	0.5
805.40619	11.1
806.41418	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	805.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.7
59.01263	1.6
60.99170	3.0
61.98720	10.9
62.73967	1.0
62.90089	1.0
69.03345	3.2
70.28639	0.9
71.01269	2.0
71.58489	1.3
78.95791	1.4
83.04911	1.2
85.02906	1.6
88.98701	17.8
89.02345	1.2
96.95908	2.7
97.02863	1.1
101.02361	1.1
109.02856	2.5
113.02386	1.5
116.92770	4.9
119.04977	1.7
121.02880	5.2
123.04472	2.2
134.03664	3.7
135.04468	5.1
136.01601	3.2
137.02364	6.7
147.00821	3.1
147.04453	16.4
148.01563	2.7
149.02380	7.3
149.06007	2.5
150.03180	1.3
151.03931	4.4
152.07126	1.6
159.04454	3.0
160.05214	4.8
161.05975	2.1
162.03148	1.6
163.03947	4.5
164.01102	3.5
164.04729	18.6
165.01881	17.8
165.05507	4.5
166.02687	1.3
171.10274	3.8
173.04526	1.8
174.03130	2.0
175.03961	100.0
175.07552	4.2
176.04649	12.2
177.01810	1.4
177.05528	9.0
178.02536	1.2
179.03470	29.8
179.07095	40.5
180.04297	5.6
180.07495	2.3
181.24687	1.1
185.11861	1.1
190.06329	84.5
191.03477	8.3
191.07040	11.4
192.04196	2.1
193.05063	3.3
194.05804	5.2
197.11823	1.3
201.11179	1.3
205.08694	90.2
206.05847	3.2
206.09010	4.1
207.06525	1.7
207.10205	3.1
208.07260	1.5
209.08084	1.2
209.11819	11.2
221.08162	10.3
223.09729	7.4
289.18234	1.2
307.19147	5.8
309.20737	2.3
316.73096	1.1
325.20282	5.3
326.20761	1.2
327.21939	3.1
343.11838	3.9
369.13516	10.1
371.11417	8.3
372.12094	2.2
383.15164	1.5
386.13773	4.0
387.14432	3.8
401.16061	21.1
402.16678	3.2
403.17725	22.5
404.17972	2.4
581.24036	96.5
582.24451	17.9
625.26477	1.9
751.39612	1.5
757.97180	1.2
758.16302	1.2
805.34540	22.9
806.35376	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	805.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.6
59.01265	4.7
60.90360	0.6
61.98707	2.9
67.01778	1.2
68.15503	0.5
69.03342	8.3
69.40792	4.5
71.01273	2.4
73.02826	0.7
78.95786	0.8
81.03366	0.8
85.02858	0.9
87.00795	0.5
89.02357	0.8
93.03357	2.1
95.01315	0.9
96.95910	9.8
96.96883	1.0
98.19666	0.8
98.95494	0.9
101.02362	0.8
108.02101	1.8
109.02875	2.2
113.02375	1.0
116.92772	2.0
119.01301	2.3
119.04942	2.2
121.02880	10.1
122.03757	1.5
122.06035	1.7
123.00787	1.1
123.04438	4.2
124.01605	0.9
125.76350	0.6
132.02094	0.7
133.02881	1.5
134.03679	4.0
135.00815	2.0
135.04454	8.2
136.01579	5.2
137.02364	7.1
137.05989	0.8
145.02806	0.6
147.00801	3.9
147.04453	16.8
148.01608	5.8
148.04807	0.7
149.02385	20.6
149.06012	5.6
150.03181	9.7
151.00275	1.2
151.03961	5.1
152.07098	2.3
159.04446	5.0
160.03928	1.1
160.05238	15.8
160.06493	1.1
161.02383	0.8
161.06021	4.8
162.03131	3.9
163.00305	1.2
163.03938	5.3
163.11296	0.7
164.01120	6.8
164.04738	37.2
165.00502	1.2
165.01886	20.8
165.05547	9.3
166.02539	1.4
171.10175	0.7
173.02411	0.8
173.04544	0.8
173.06017	1.3
174.03183	3.0
175.03967	89.3
175.07578	18.5
176.04741	25.8
176.07997	1.1
177.01904	1.1
177.05533	16.9
177.09074	1.0
178.02673	1.1
178.05894	0.9
179.03485	37.4
179.07094	79.6
180.04205	6.8
180.07410	3.7
181.05045	0.9
185.00958	0.8
188.04700	0.8
189.05600	0.8
190.06325	62.7
191.03508	2.5
191.07080	28.2
192.04295	1.7
192.07491	1.5
193.05014	2.2
193.08708	0.8
193.83633	0.5
194.05823	6.4
197.10255	0.6
197.11774	3.4
199.66673	0.6
201.11317	0.8
205.08685	85.8
206.05830	1.1
206.09055	4.6
207.06619	2.0
207.10310	2.5
208.07365	3.3
209.08218	1.7
209.11855	4.4
221.08206	5.6
223.09770	11.4
227.12799	0.8
253.05200	0.6
265.10886	1.6
267.06790	0.6
283.09732	0.8
309.11444	2.6
311.09351	0.9
328.09525	1.0
329.23657	1.0
330.23721	0.7
339.08951	0.9
341.14029	2.2
343.11929	6.3
353.13974	1.7
354.10956	1.1
369.13489	46.9
370.13980	4.7
371.11288	7.9
371.15143	1.0
372.12048	1.8
373.16876	1.0
383.14911	1.6
385.16711	0.8
386.13730	4.8
387.14569	2.2
397.13571	1.5
401.16135	30.1
402.16608	4.9
403.17731	10.7
404.18146	1.1
427.17566	1.0
431.17099	1.6
521.21942	11.9
522.22144	2.0
563.23077	2.7
566.22247	1.3
581.24036	100.0
582.24341	18.7
611.24902	1.3
625.27094	1.9
635.30847	0.6
643.27966	1.4
805.33826	5.2
806.35840	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	805.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.3
61.98716	0.6
63.10841	0.2
64.05463	0.2
67.01774	0.4
69.03339	3.2
69.55305	1.9
72.10514	0.2
78.80458	0.2
81.03371	0.5
91.05377	0.2
93.03373	0.8
96.07761	0.2
105.29570	0.3
108.02074	0.9
109.02852	1.2
116.92822	0.4
117.03368	0.2
117.72974	0.2
118.32146	0.3
119.01304	1.5
119.04938	1.3
121.02884	5.3
123.00819	0.3
123.04462	1.8
127.45255	0.2
131.05045	0.3
132.05635	0.3
134.03653	1.5
135.00821	0.9
135.04445	5.0
136.01578	3.0
137.02382	4.5
137.05983	0.4
137.07558	0.3
138.03157	0.3
145.02904	0.6
147.00858	2.9
147.04460	16.3
148.01607	3.3
148.04834	0.8
149.02383	9.2
149.06006	1.4
150.03082	1.2
151.00302	0.3
151.03976	2.6
159.04497	0.9
160.05244	0.9
161.02364	0.3
161.05994	1.0
162.03210	2.1
163.00352	0.6
163.03966	4.5
164.01085	3.1
164.04742	20.8
165.01891	10.3
165.05528	2.5
166.02490	0.7
173.02371	0.4
174.03154	2.1
174.06833	0.3
175.03964	100.0
176.04701	16.7
177.01985	0.6
177.05524	8.1
177.09183	0.3
178.02678	0.7
178.06010	0.6
179.03485	23.7
179.07092	41.2
180.04187	3.7
180.07426	2.3
181.04897	0.5
188.04720	0.4
189.05553	1.3
190.06325	73.2
191.03499	4.5
191.07071	17.7
192.04185	1.4
192.07481	0.6
193.04993	1.2
193.08653	0.5
194.05815	3.4
195.06509	0.9
205.08687	80.6
206.05893	1.9
206.09019	5.4
207.06543	1.7
207.10240	1.1
208.03732	0.4
208.07422	2.2
209.08194	0.9
221.08194	7.1
222.08583	0.5
223.09763	6.4
224.10016	0.3
235.06151	0.4
265.10883	0.3
279.06641	0.3
297.07700	0.7
311.09103	0.4
328.05966	0.3
328.09576	0.6
329.10361	0.3
343.11896	2.6
354.11212	0.7
357.93475	0.3
367.15546	0.4
369.13489	18.4
370.13794	1.8
371.11447	4.8
372.12039	0.9
372.38071	0.2
383.14975	0.7
385.16678	2.1
386.13632	2.2
387.14377	1.8
389.16144	0.5
401.16144	22.4
402.16565	3.6
403.17670	11.7
404.18021	1.4
427.17831	0.7
545.58734	0.2
563.22833	1.1
581.24036	42.9
582.24438	7.0
607.25543	0.5
625.26788	0.8
669.45154	0.3
787.33545	0.8
805.34540	10.8
806.34668	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	805.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.3
61.98729	5.3
62.06732	0.8
67.67961	0.6
69.03328	1.4
71.01279	5.5
72.99178	0.7
73.02818	1.3
78.95777	0.9
83.01271	0.9
85.02823	1.3
89.02346	1.8
93.03333	2.2
94.06506	3.6
94.41481	0.8
96.95911	7.7
98.10971	0.7
101.02345	1.7
104.04958	1.3
106.06539	2.9
106.42073	0.6
107.03675	6.8
111.00801	0.8
113.02330	1.6
114.95708	0.7
116.92754	1.1
120.04518	1.0
120.08115	9.6
121.05199	1.0
122.06037	65.7
123.04424	0.9
123.06390	1.6
125.02301	1.0
129.94743	0.7
132.04497	1.6
134.06056	20.3
135.04382	0.9
136.07607	1.2
139.02704	3.0
145.02916	1.2
150.05534	2.7
152.07115	87.7
153.07455	2.8
160.03976	1.3
162.05458	0.8
163.87283	0.7
164.03419	1.0
166.05057	0.9
173.04526	3.9
174.05579	0.8
185.00931	1.3
190.05089	2.0
191.05597	3.8
208.82066	0.7
209.07268	0.7
209.11841	1.4
210.07941	1.3
211.08855	5.2
221.10815	1.4
223.08778	7.1
224.09500	2.8
225.10284	5.3
235.08749	0.8
235.12413	1.2
236.05952	1.1
236.09535	1.4
237.06786	7.1
237.10422	7.0
238.07068	1.0
238.11043	3.6
239.11934	8.4
240.12277	1.1
245.12923	1.0
249.06837	1.8
249.10612	1.0
250.07449	2.9
251.08302	10.0
251.11929	5.0
252.09079	2.2
253.09554	1.2
253.13374	1.6
260.06870	0.7
261.10388	1.2
262.07278	0.7
263.08383	3.3
263.11917	1.3
264.09088	8.2
265.09888	9.3
265.12628	1.1
265.13660	0.9
266.10458	1.0
267.11404	1.3
269.09387	2.1
271.10922	2.6
276.09045	1.1
277.09979	5.3
278.10608	2.9
279.11429	15.4
280.11951	2.3
281.09424	0.9
281.12848	1.8
283.10953	5.2
283.53619	0.8
291.11545	3.7
292.12039	2.2
293.09482	1.4
293.12906	1.4
294.09903	0.8
295.10883	3.4
296.11621	1.0
305.09515	1.1
307.11038	1.8
309.12384	1.1
322.09702	0.8
323.10498	5.4
324.11069	1.8
325.12125	1.7
327.96869	0.7
328.10791	1.0
337.12012	1.2
339.13443	0.8
342.12369	1.2
342.16187	1.1
344.14166	1.6
355.13120	2.5
358.15567	3.3
359.16190	1.0
360.17261	2.0
370.15741	1.3
372.17459	1.2
373.17862	0.8
374.15073	0.9
384.13483	3.5
384.89066	0.7
386.19052	1.1
387.15814	1.0
388.16516	1.2
389.17587	1.0
397.13577	0.8
398.14981	2.5
402.14383	1.9
402.18723	7.3
403.19159	1.6
404.19757	1.8
412.16702	1.6
416.15863	4.8
417.16736	7.6
418.17361	1.4
426.18405	0.8
427.19330	1.6
428.16180	1.6
430.17807	3.0
431.18799	1.2
434.17416	6.8
444.19266	4.9
447.18283	1.3
448.18851	12.0
449.19522	4.6
456.15842	0.9
460.18723	1.7
461.19550	1.2
462.00748	0.7
462.20334	1.5
471.18173	1.6
472.18765	1.3
475.20782	0.8
488.18304	6.3
489.19128	3.9
503.20633	7.0
504.20911	1.2
520.21045	11.3
521.21606	4.9
525.25378	1.0
544.21344	1.5
545.21997	2.6
555.15161	0.8
563.22736	2.3
567.26331	5.3
571.25592	1.5
611.25238	19.7
612.25458	2.0
625.26752	28.9
626.27155	5.4
643.27887	100.0
644.28235	19.4
644.38947	1.3
657.29553	1.9
667.27942	37.9
668.28278	6.5
685.29041	16.1
686.29419	3.4
697.28748	3.2
698.29303	1.3
709.28748	1.6
805.39630	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	803.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.6
57.27164	0.4
59.01276	1.3
61.98717	3.0
67.01806	0.5
69.03339	1.7
71.01271	1.0
73.02831	0.4
93.03362	0.9
96.95918	0.8
97.06505	0.4
106.04166	0.5
108.02071	0.7
109.02858	0.6
119.04932	0.4
121.02805	1.0
121.06490	0.5
123.04457	1.0
128.28760	0.4
131.04948	1.2
134.03665	100.0
135.03929	3.6
136.01584	1.4
137.02347	0.8
144.05807	0.6
147.04424	1.8
149.06020	51.5
150.06377	1.7
151.03938	2.9
159.04437	5.0
160.01619	1.6
160.05249	16.4
161.05945	1.5
162.03186	0.7
163.03809	0.5
164.01141	1.0
164.04646	0.7
169.12289	0.7
171.10191	1.0
173.04561	0.9
173.06030	1.1
174.03265	0.6
175.03989	9.0
175.07593	16.6
176.04634	1.2
176.07930	1.0
177.01897	9.9
177.05482	1.7
178.02550	0.9
179.03462	7.7
179.07086	0.9
180.03976	0.6
187.07629	2.0
189.05557	0.8
190.06323	3.0
191.03468	0.6
192.04247	12.8
193.04758	0.8
194.05832	0.8
201.05548	0.7
202.06361	1.2
203.03488	21.7
204.03819	1.4
205.08656	3.8
207.06610	19.0
208.07033	1.0
209.11850	3.5
216.75735	0.4
217.05084	1.6
218.05836	29.7
219.06145	3.1
221.08153	0.5
223.09782	4.4
227.12924	0.6
229.14423	0.7
233.08203	83.5
234.08530	4.9
275.07175	1.1
278.05939	0.6
279.06723	0.5
290.10001	0.7
293.08136	0.8
304.07623	0.6
305.08246	0.9
307.06104	0.7
307.19385	0.7
321.07669	0.7
323.05640	0.5
326.24731	0.4
327.08920	0.8
332.07059	0.7
333.07718	2.1
337.98859	0.5
347.09375	1.3
348.10068	1.3
349.07208	1.4
349.10992	0.5
353.10361	1.1
355.08203	1.3
364.09677	0.6
365.14026	1.6
367.11652	0.8
370.10788	0.5
379.11948	2.6
381.09973	2.2
383.15247	1.1
385.13068	6.1
386.13168	0.5
387.14453	0.6
396.12189	1.6
401.16101	0.9
411.14587	30.7
412.14890	3.2
429.15622	4.3
430.16278	0.9
543.20428	1.0
561.21521	1.0
609.23431	1.0
633.87665	0.5
635.25043	5.6
636.25311	0.9
803.40979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.5
61.98701	1.5
67.01777	0.3
69.03336	0.5
71.01277	0.9
71.57951	0.4
72.13796	0.2
73.02832	0.3
93.03362	1.7
96.95923	0.5
107.04966	0.4
108.02103	0.8
109.02864	0.3
110.75354	0.2
117.03350	0.4
119.04934	0.5
121.02876	3.6
123.04450	0.6
133.02872	0.4
134.03664	0.4
135.04468	0.9
136.01587	0.9
137.02368	0.6
145.02919	0.5
147.04462	1.8
149.02368	3.4
149.05957	0.4
150.03149	0.9
151.03922	2.3
160.05276	0.3
161.06055	0.8
162.03183	0.3
163.00372	0.3
163.02692	0.5
163.03976	5.9
164.01118	0.8
164.04745	5.8
165.01913	0.5
165.05531	0.7
169.12332	0.6
171.10229	0.4
173.02435	0.9
173.04559	0.4
173.06013	0.3
174.03123	0.3
175.04007	1.9
175.07599	2.4
176.04623	0.3
177.01825	0.5
177.05530	0.6
178.02754	0.3
179.03484	6.4
179.07101	12.3
180.03963	0.4
180.07411	0.5
181.05051	0.6
188.04480	0.2
189.05559	0.7
190.02650	0.9
190.06311	1.4
191.03484	52.5
192.04131	4.9
193.04971	0.8
194.05821	0.8
194.14590	0.2
197.11790	0.7
201.05568	0.3
201.11313	0.3
205.05099	2.8
205.08705	3.3
206.05843	49.0
207.06490	5.3
208.07053	0.3
209.11795	1.2
210.12166	0.4
211.13457	0.2
217.05046	1.8
221.08200	100.0
222.08549	5.9
223.09734	2.2
225.11378	0.3
229.05238	0.3
232.07413	1.5
247.09766	2.3
253.09149	0.3
263.07141	0.6
267.06699	0.5
278.06015	0.3
279.06631	0.3
281.08075	1.2
293.08240	0.8
294.05307	0.5
295.06171	0.3
305.04651	0.7
306.05392	0.3
306.16803	0.2
309.07803	0.8
320.06900	0.7
321.07770	2.1
322.08426	0.6
327.08517	0.5
335.09378	0.7
336.09933	0.4
337.07193	2.3
341.10315	1.4
352.09546	0.6
353.10248	0.3
355.11871	0.4
367.11838	2.0
368.12653	0.7
369.09732	2.9
369.13611	0.5
370.10257	0.4
382.14166	0.4
383.15091	6.4
384.11829	1.6
385.12848	1.1
385.17252	0.3
386.13669	0.8
397.16394	0.3
399.14560	26.1
400.14960	3.4
401.16138	14.5
402.16467	1.3
403.17459	0.6
425.15939	0.8
561.21527	2.2
562.21942	0.4
579.22559	2.8
580.22662	0.6
609.23187	0.3
623.25049	3.5
624.24890	0.7
785.31702	1.6
786.31738	0.4
803.32874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00997	0.7
59.01259	9.3
60.27118	0.6
61.98717	13.4
63.90473	0.5
69.03323	1.2
71.01263	6.3
71.59510	0.9
73.02834	5.4
73.25965	0.5
75.00682	0.6
78.95766	0.8
80.04547	0.5
80.04948	6.2
83.01279	3.7
83.04871	0.5
85.02831	1.2
87.00738	0.6
88.98676	1.1
89.02330	1.2
92.04930	0.5
93.03316	1.1
94.06487	2.4
94.55632	0.5
95.01282	0.6
96.95901	6.0
101.02293	1.9
104.04929	2.3
106.06529	3.1
107.03667	4.4
108.04478	0.5
113.02316	1.2
119.04707	0.5
120.04441	2.0
120.08073	1.5
121.02801	0.5
121.05198	1.1
122.06032	36.7
123.06292	0.9
124.07544	0.7
125.43377	0.5
132.04480	3.4
134.06041	17.5
135.04414	0.8
136.07574	0.7
139.02611	2.2
148.03966	2.6
150.05515	1.8
152.07108	52.2
153.07384	2.0
158.02441	0.7
160.01581	0.6
160.03949	1.7
160.06302	1.9
161.02307	0.7
161.04608	1.2
173.04469	2.1
174.05551	2.5
175.03987	0.8
190.05061	5.0
191.05492	1.8
192.68529	0.5
205.11823	0.6
209.11861	0.6
211.08694	0.9
213.10313	20.2
214.10649	1.4
223.08800	1.5
225.10286	3.5
226.11067	1.5
227.11874	1.0
237.10228	1.8
239.11906	15.2
240.12173	1.2
241.13475	7.4
245.12985	6.3
247.08937	0.9
249.06563	0.6
249.10269	0.9
250.07492	1.1
251.08311	1.1
251.11893	3.5
253.13446	0.7
263.08234	0.7
265.09921	3.3
265.13562	0.9
267.11432	6.9
277.09708	1.6
278.10577	0.8
279.11151	1.2
281.13016	0.9
283.10825	0.6
285.12497	39.5
286.12820	2.9
293.09366	1.5
293.12970	6.5
294.13464	0.8
295.10916	4.7
296.11566	1.0
297.12415	1.0
300.11703	0.6
301.11990	0.8
305.09537	0.8
307.11121	0.9
309.12625	0.7
313.11792	2.7
315.14481	0.8
316.11151	0.8
316.14590	5.5
323.10385	6.1
323.21741	0.5
324.11121	1.7
325.11911	3.6
326.12802	0.9
327.10138	0.5
327.13580	7.2
328.10843	2.0
328.14468	1.5
329.11795	1.2
330.12460	1.2
330.16107	1.0
332.17578	1.0
339.09763	0.8
340.10620	1.2
340.14569	10.9
341.14926	2.0
342.12802	2.5
343.13309	2.9
344.14090	3.4
354.12762	0.8
355.13043	6.4
356.13867	3.4
356.17752	1.6
357.14883	3.2
358.11383	1.0
358.15674	14.4
359.15991	2.1
366.12509	0.6
368.10318	1.5
368.14365	1.1
369.14755	0.8
370.11899	1.4
370.15936	1.0
371.12219	0.6
372.13263	0.7
372.17374	1.2
379.12885	0.6
382.11542	0.6
382.15924	0.9
383.12738	0.8
384.13461	7.6
384.17542	0.8
385.14099	1.9
387.15448	0.9
396.13617	1.3
397.14319	1.8
398.15125	2.0
399.15881	2.2
400.16742	12.5
401.17059	2.3
410.15170	0.8
411.15857	3.2
412.16672	5.0
413.17126	0.9
425.13770	0.7
426.14603	1.2
438.14563	0.8
441.23209	0.7
444.15656	1.3
458.17355	0.6
468.16226	0.6
469.22491	1.4
481.22925	1.2
497.25940	1.4
505.22549	1.3
509.21893	2.7
519.24347	0.7
522.22589	0.6
523.23627	4.5
524.24091	2.0
541.25024	0.6
545.22119	1.3
547.23419	1.5
549.21820	1.2
563.22906	1.1
565.24646	24.0
566.25134	4.3
568.23151	1.4
569.24127	1.8
573.21606	1.9
581.24554	1.4
583.24896	0.7
591.22516	10.2
592.22717	2.0
609.23627	68.3
610.23907	11.8
623.25098	5.2
624.25781	1.3
628.16522	0.9
633.24481	1.0
641.26288	100.0
642.26575	19.4
651.24237	2.7
652.24390	0.7
683.27319	41.7
684.27582	8.9
713.28894	1.1
743.29840	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	803.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00995	0.8
59.01315	8.8
61.98718	5.5
62.04338	0.4
69.03406	0.7
69.08743	0.5
71.01272	6.7
73.02832	5.7
78.95838	0.6
80.04939	5.6
83.01279	2.6
85.02878	0.9
87.00834	0.5
89.02393	1.0
92.05029	0.7
93.03413	0.8
94.06493	2.5
96.95909	7.2
98.20585	1.0
99.00831	1.2
101.02438	2.0
104.04958	2.4
106.06547	3.3
107.03681	3.9
113.02421	1.6
120.04517	0.6
120.08196	1.8
121.05364	1.3
122.06038	33.2
123.06481	0.4
124.07652	0.5
130.02992	0.5
130.06630	0.7
132.04454	2.4
134.03773	0.9
134.06042	16.3
135.04510	0.7
135.06436	0.9
136.01575	0.5
136.07610	0.5
137.02515	0.6
137.12164	0.4
139.02763	1.7
140.00742	0.4
148.03989	2.6
150.05568	2.3
152.07109	48.0
153.04410	0.5
153.07547	1.9
158.02486	0.9
160.01694	1.0
160.03996	2.2
160.06349	3.7
161.02574	0.6
161.04718	0.9
162.05638	0.8
164.07150	0.6
166.05098	0.6
173.04631	1.7
174.05591	3.2
175.04074	1.0
186.05641	0.6
190.05040	5.0
191.05632	1.7
195.61772	0.5
197.07254	0.5
197.11835	0.4
210.07979	0.6
211.08894	1.0
213.10323	18.0
214.10754	1.2
223.08810	1.1
224.09534	0.8
225.10242	2.7
226.11220	0.8
227.12076	1.3
235.08836	0.5
237.10451	1.5
239.11913	13.9
240.12335	1.0
241.13464	8.4
242.13799	0.7
245.12959	6.8
245.15097	0.6
249.06726	0.8
249.10451	0.7
250.07521	0.8
251.08310	0.7
251.09502	0.6
251.11874	3.2
253.13535	0.7
263.08423	1.1
265.09897	3.8
265.13528	0.5
267.11441	8.0
268.11835	0.6
269.13168	0.5
271.16974	0.5
272.11835	0.4
276.09348	0.6
277.10043	1.2
278.10748	0.8
279.08240	0.7
279.11475	1.1
280.12180	0.5
281.13120	0.5
285.12512	40.5
286.12854	2.5
289.13000	0.7
291.11557	0.7
293.09476	1.8
293.13162	5.8
294.10135	0.5
295.10809	3.6
296.11636	1.1
297.12628	1.5
301.12756	0.6
305.09497	0.7
307.11008	1.1
309.12726	0.7
313.11835	2.4
315.10049	0.5
315.15002	0.5
316.14615	6.3
317.15125	0.6
323.10406	5.6
324.11200	1.3
325.12039	3.1
326.12793	1.1
327.10028	0.8
327.13577	6.6
328.11069	2.9
328.14600	1.3
329.11652	0.5
330.12701	0.6
332.17981	1.5
339.10046	1.4
339.13663	0.7
340.10791	0.5
340.14609	10.3
341.15109	1.0
342.12598	2.6
343.13324	2.6
344.14191	2.7
345.14883	0.6
355.13055	5.9
356.13995	3.0
356.17999	1.5
357.14819	3.8
357.18613	0.7
358.15668	14.9
359.16000	2.1
366.12457	0.6
368.10361	1.0
368.14340	0.8
369.14941	0.8
370.12036	1.1
370.15979	0.8
371.12668	0.7
372.13278	0.6
372.17407	1.0
382.11603	0.6
382.15738	1.4
383.12457	0.6
384.13434	7.8
385.14224	1.8
386.15414	0.6
391.28781	0.5
396.13562	1.5
397.14377	1.5
398.15189	2.0
399.15973	1.4
400.16730	13.1
401.17273	2.2
410.15390	0.6
411.15622	3.1
412.16827	6.0
413.17102	0.8
424.16782	0.8
425.14063	0.5
426.14828	1.3
438.14758	0.7
444.15915	1.4
456.15811	0.8
469.22379	0.9
477.19824	0.5
481.22543	1.4
491.22522	0.5
497.25842	1.6
504.21619	0.6
505.22342	0.9
509.22168	2.1
510.22507	0.8
519.24237	0.7
521.22180	0.7
523.23468	4.2
524.24304	1.9
530.34027	0.6
537.24872	0.6
545.22162	1.0
547.23694	1.4
549.21649	1.2
550.22095	0.5
563.23132	1.6
565.24670	24.7
566.25092	4.3
568.22980	1.0
569.24231	1.4
573.21771	1.4
581.24158	1.7
591.22498	11.5
592.22943	1.2
609.23663	72.3
610.23944	13.3
623.25330	5.0
624.25494	0.8
628.16547	0.7
633.23566	1.0
641.26288	100.0
642.26648	21.9
642.37506	0.7
651.24731	2.8
683.27350	39.2
684.27704	8.1
713.28308	1.3
743.29315	2.1
771.29175	1.4
772.29803	0.5
803.29517	0.8
803.42480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.3
61.35143	0.1
61.98714	100.0
62.98418	0.2
71.01276	0.3
71.58286	0.1
73.51153	0.1
93.03361	0.2
96.95923	0.3
101.02372	0.1
107.74369	0.1
113.02364	0.2
122.06061	0.1
138.96133	0.1
161.02242	0.1
165.51274	0.1
173.04503	0.5
191.05617	0.1
209.11913	0.1
211.07680	0.2
409.00748	0.1
469.51981	0.1
693.28772	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	801.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.8
59.01265	5.9
59.48163	0.6
61.98717	86.0
71.01278	6.7
73.02834	1.6
77.71165	0.6
78.86916	0.6
78.95786	3.0
79.95647	0.9
80.02576	0.8
80.59545	0.6
80.96407	4.5
81.03362	1.3
83.01318	0.6
83.04897	3.7
85.02852	1.3
87.00793	0.9
89.02333	3.1
94.97945	0.7
95.04916	0.9
101.02338	4.5
109.06501	1.6
113.02380	1.9
113.58297	0.7
119.03422	1.3
125.06018	0.7
125.09654	2.4
127.11224	2.8
135.08063	0.8
143.03357	0.9
161.04565	1.9
163.11275	3.2
164.98584	1.3
165.09178	1.3
165.12843	2.1
171.10233	4.5
172.10585	0.9
191.10777	1.4
195.13809	1.0
199.09747	1.4
201.11305	44.2
202.11632	2.6
207.10196	0.9
209.11819	100.0
210.12108	6.0
225.00801	1.3
225.11327	1.9
226.11589	0.8
227.12880	12.6
228.13094	0.8
235.08235	5.4
236.08607	0.7
241.21750	1.8
245.19075	0.7
253.09320	15.9
254.49255	0.7
275.20282	0.9
276.63120	0.7
277.21783	100.0
278.22144	11.7
279.22543	0.9
289.18155	12.5
289.21317	0.5
290.18610	1.1
293.21289	7.7
377.43332	0.7
419.19147	1.1
437.20325	2.4
443.31860	1.4
445.20786	5.0
461.33374	0.8
509.68182	0.7
513.30786	4.1
662.04443	0.7
783.39783	1.1
801.38184	2.9
802.91608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	9.2
61.98719	47.5
71.01263	12.7
71.59158	2.2
73.02837	3.7
75.00740	1.9
78.95795	46.4
78.98496	2.5
79.95628	5.5
80.96413	31.7
81.03362	2.4
83.04907	3.5
85.02846	3.8
86.27806	1.4
87.00783	2.8
89.02323	3.6
94.97971	8.2
95.01296	1.9
96.96859	11.0
97.02865	3.1
97.06454	1.5
99.00782	3.2
100.94563	1.3
101.02341	3.8
106.97997	2.0
109.06474	6.2
113.02326	3.7
122.97531	1.8
125.02364	1.8
125.09615	4.5
127.11200	5.2
134.97519	2.4
137.09683	2.9
139.11172	1.4
143.03352	1.4
148.99023	2.6
152.98442	2.2
152.99600	9.3
155.10684	2.9
161.04556	2.5
163.11247	8.0
164.98607	5.5
165.09192	3.2
171.10220	31.5
179.05608	1.4
181.12334	5.5
185.11758	2.5
189.09178	1.4
195.29539	1.2
199.09726	7.0
201.11325	57.1
202.11548	2.8
207.10255	27.6
208.10617	2.1
209.11836	28.8
210.12190	2.1
215.13023	1.6
223.00140	3.2
225.00757	13.4
225.11334	40.2
226.11775	2.8
227.12848	1.9
235.08220	4.3
241.01227	24.2
243.12384	4.4
253.09332	10.4
255.23375	25.2
256.23636	3.5
259.02231	1.5
277.21783	92.7
278.22128	9.9
443.19388	5.8
461.20560	8.4
525.16797	2.0
592.91101	1.4
695.40515	2.9
707.42596	3.1
721.41986	18.5
722.42126	3.4
781.40430	12.0
782.41119	2.5
799.42346	100.0
800.42590	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	802.425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.1
61.98717	100.0
62.98417	0.2
63.78719	0.1
71.23742	0.2
79.95648	0.2
80.54652	0.1
80.96423	0.4
82.34728	0.1
96.95944	0.3
171.10257	0.1
177.26807	0.1
207.10359	0.2
209.11819	0.4
225.11299	0.2
233.01668	0.1
248.73547	0.1
255.51396	0.1
273.47659	0.1
277.21915	0.3
278.22162	0.2
279.23413	0.3
280.23535	0.2
526.68671	0.1
583.59027	0.1
611.83160	0.1
785.37897	0.1
802.41589	0.1
803.38971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	1.3
59.01266	12.6
61.56621	1.0
61.98738	4.7
68.99078	1.0
69.42338	2.0
69.42744	7.2
71.01276	6.3
71.04907	1.2
72.99188	1.2
78.95795	2.4
80.66491	0.9
83.01284	1.1
85.02825	2.2
87.00804	1.5
89.02328	2.2
96.95899	1.7
97.02851	7.7
97.06474	1.4
99.00779	12.1
101.02334	2.9
109.06515	1.3
113.02360	1.3
119.03395	1.3
125.02351	1.2
125.09652	4.1
135.08112	1.2
142.02678	2.5
161.04390	1.6
163.11208	7.9
164.29713	1.0
171.10188	2.9
173.04465	1.6
181.12288	17.3
182.12627	1.7
185.11629	1.0
195.13821	5.0
199.13319	2.4
203.48505	1.1
205.23105	1.0
207.10252	47.5
208.10602	3.0
209.11761	1.8
223.13394	4.9
225.11330	100.0
226.11687	5.7
235.08221	2.9
243.12421	15.6
253.09341	5.1
275.20151	5.5
277.21683	2.3
293.21301	68.9
294.21588	5.0
299.14932	1.2
309.20709	1.9
317.16068	1.2
443.19260	2.2
461.20364	48.1
462.21002	7.0
501.32254	1.2
648.79150	1.1
737.41302	43.6
738.41711	12.3
797.47235	1.9
798.46167	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	793.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	20.1
61.98713	3.5
65.71284	1.6
71.01274	35.7
73.02831	5.1
74.01267	1.7
75.00745	2.3
78.95789	3.0
85.02859	3.5
89.02349	5.4
90.82859	1.7
97.02898	2.8
99.00788	3.7
101.02349	5.1
108.97269	1.5
109.06497	7.4
113.02353	4.4
119.03469	2.9
125.09620	4.6
127.11234	2.8
137.09613	1.8
138.04050	2.1
140.62103	1.7
141.19029	1.8
155.10744	2.7
161.04549	3.8
163.11206	5.2
166.12799	1.7
171.10228	52.4
181.08635	3.6
181.12305	5.2
185.19527	1.9
194.76955	2.1
199.09755	34.8
199.13412	6.5
201.11310	57.5
202.11699	3.6
207.10289	31.7
209.11943	2.7
223.09663	4.9
225.11328	34.8
235.08340	4.5
243.12411	6.4
253.09370	21.2
277.21790	100.0
278.22052	9.4
297.24380	3.0
307.92255	2.0
311.16727	3.3
407.19601	2.6
435.18878	11.7
443.19150	4.7
461.20422	11.8
479.21863	2.4
621.26697	4.4
695.40344	13.2
696.40521	2.5
703.38489	2.9
719.40295	3.2
721.42041	16.7
722.41888	2.8
735.84827	2.1
737.41431	3.5
739.42975	13.5
757.43744	23.6
758.44611	2.1
775.39691	3.3
793.43011	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	799.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	15.8
61.98716	2.4
66.62455	0.5
69.03343	3.6
71.59907	0.5
85.02845	1.4
90.33282	0.6
93.03365	2.1
95.01287	1.1
96.95915	1.1
97.02854	2.1
108.02075	5.8
109.02865	8.9
121.02875	3.4
122.03694	0.8
122.19849	0.5
123.04462	3.8
124.01620	0.5
124.05206	0.5
134.03688	1.7
135.04440	1.8
136.01588	100.0
137.02243	4.6
145.02922	1.0
146.03691	1.3
147.04425	2.2
147.08057	0.5
148.05237	1.0
149.06020	1.4
150.03146	0.4
151.03947	59.3
152.04276	2.3
158.03720	2.7
159.04500	2.3
160.05176	0.8
161.02411	0.6
161.06015	1.9
162.03099	0.5
162.06770	1.3
163.03999	0.9
165.09167	1.5
171.10196	0.4
173.04642	0.5
173.06044	1.9
174.06859	0.5
175.03929	1.0
175.07587	1.6
185.11769	0.6
191.07001	1.0
199.07614	1.3
200.08443	1.1
201.05566	1.7
201.09344	0.6
203.07181	0.6
215.07085	1.0
215.10851	0.5
216.07825	0.6
217.08688	0.5
223.07558	0.6
227.07047	0.7
227.09309	0.5
233.11864	0.5
235.09695	1.1
238.06357	0.6
239.07240	2.2
249.05547	0.6
250.06291	0.7
251.07143	1.4
251.09433	0.8
265.10852	0.6
266.06064	1.0
266.09525	1.2
267.06677	10.0
267.09589	1.1
268.07205	1.2
281.08298	3.2
281.11606	1.1
282.09039	11.7
283.09619	2.7
284.10556	0.9
284.39517	0.5
285.11267	1.0
286.69632	0.5
296.10602	1.4
296.13895	0.4
297.11377	35.8
298.11673	3.2
299.12967	3.4
311.13031	2.8
323.12915	0.5
339.16159	0.5
349.14441	0.9
366.14316	0.5
367.15515	2.0
414.65607	0.5
427.17535	2.8
428.17908	0.7
457.18887	1.6
473.19598	0.9
475.21301	1.3
503.20847	1.0
505.22354	1.4
517.22180	0.8
533.21875	3.5
535.23499	11.0
536.23926	1.5
547.23468	1.2
551.23145	0.5
563.22791	3.3
564.23132	0.8
565.24457	6.4
566.24670	1.1
603.26202	2.1
633.27142	2.5
657.19171	0.5
679.29114	1.2
739.31183	6.9
740.31598	1.6
799.33374	19.3
800.33655	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	793.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
55.53972	0.1
55.83124	0.2
59.01272	1.0
61.98710	0.6
71.01278	0.4
71.59164	0.2
73.02836	12.6
74.02352	0.3
74.03162	0.2
75.00770	2.9
75.50004	0.2
78.95794	1.5
85.02850	0.2
87.00764	0.3
89.02306	0.4
96.96902	0.2
98.02300	0.2
99.00790	3.9
99.92486	10.2
100.92506	0.7
101.02327	0.3
111.01920	1.4
113.02373	0.2
114.93318	0.4
115.03913	0.2
115.99842	0.3
116.03447	0.5
116.92775	100.0
117.01852	26.9
117.02738	0.4
117.05476	1.3
117.92781	5.4
118.02190	0.4
121.06355	0.2
158.92490	0.4
171.10135	0.2
228.19803	0.2
231.96812	0.2
265.64053	0.2
277.21881	0.4
293.21304	0.3
397.13522	1.1
415.14825	0.3
455.60941	1.9
456.11218	0.3
519.77283	0.2
528.55170	0.2
538.96368	0.2
605.61151	0.2
806.28790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
59.01264	15.7
61.98712	1.2
69.03335	2.7
71.01270	7.7
71.04903	0.9
71.58983	0.8
73.02816	1.2
78.95795	0.9
81.03358	0.9
83.04905	0.9
83.39043	0.7
85.02862	1.6
87.00776	1.0
89.02351	4.1
93.03383	0.8
95.04916	0.7
99.00795	0.9
101.02364	4.1
109.06505	1.6
111.08028	0.8
111.59738	0.6
113.02357	2.7
119.03452	1.0
125.09624	1.3
152.25366	0.7
161.04501	1.5
163.11224	1.1
167.10710	2.4
171.10246	5.5
172.10565	0.8
179.05565	1.2
179.10703	1.3
179.14389	4.0
181.12378	1.2
195.13899	14.3
199.09752	6.8
199.13417	1.4
201.11311	9.5
202.11658	1.0
205.12312	10.7
207.10292	5.1
208.10681	0.7
209.11789	5.0
223.13403	100.0
224.13774	6.2
225.11368	5.5
226.11801	1.2
227.12880	1.3
235.08206	4.9
243.12532	0.9
253.09348	23.2
254.09599	1.1
254.16525	0.6
275.20224	5.3
277.21790	16.7
278.22125	3.6
279.22540	1.0
284.97214	0.6
293.21301	84.3
294.21652	6.7
325.78247	0.6
435.19113	2.2
441.21445	1.4
446.88968	0.7
459.22488	17.4
460.22949	1.8
461.20392	1.6
499.34433	1.0
529.30463	2.8
695.40460	1.4
721.41895	2.0
722.43976	0.8
723.42108	0.8
735.42999	4.7
736.44061	1.0
739.43494	1.5
741.43964	0.8
757.44165	3.0
777.41278	0.9
795.41449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.1
59.01260	0.6
61.04582	0.1
61.98706	0.6
71.01288	0.2
71.46068	0.2
71.55795	0.1
73.02835	6.8
73.27708	0.1
73.91835	0.1
75.00758	1.0
78.95792	1.4
82.62348	0.1
87.00780	0.3
89.02322	0.2
96.95893	0.2
96.96870	0.2
99.00778	2.2
99.92483	8.6
100.92502	0.5
101.02273	0.2
111.01920	1.4
114.93326	0.4
115.03917	0.1
115.99883	0.2
116.03490	0.2
116.92773	100.0
116.97133	1.4
117.01850	13.0
117.05508	0.5
117.92781	6.0
118.02135	0.3
154.09277	0.1
158.92471	0.6
169.27849	0.1
173.70735	0.2
174.97847	0.2
191.05583	0.3
195.11678	0.1
210.98900	0.1
221.50957	0.2
223.23975	0.1
231.96661	0.3
254.94623	0.2
262.25299	0.1
277.21973	0.2
282.03836	0.2
291.49271	0.1
323.02756	0.2
385.44366	0.2
393.50333	0.2
397.13654	0.5
455.60983	1.9
455.66867	0.2
456.11090	0.7
483.90884	0.1
560.51257	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	791.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.9
61.98714	5.7
71.01270	20.9
71.59216	4.3
97.02854	6.5
101.02325	5.9
110.03630	4.5
111.04429	15.1
125.09611	9.1
136.40457	4.0
137.09636	3.7
161.04793	3.5
161.09700	6.0
171.10213	34.4
177.09131	4.8
179.10660	8.2
185.11761	6.1
197.11804	8.4
199.09753	31.1
201.11246	5.0
205.08733	17.2
209.55283	3.7
213.11314	11.4
223.09764	63.0
224.10089	7.8
241.10822	5.7
253.09308	16.7
277.21771	100.0
278.22107	6.7
293.21399	3.3
435.18555	17.5
441.17523	10.0
441.29535	3.8
459.18735	14.2
632.39838	4.0
695.30280	3.9
695.40643	29.6
696.40576	8.1
719.40399	45.1
720.40985	9.9
737.41327	48.1
738.41425	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	791.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37146	11.4
61.98713	28.3
78.95798	23.9
95.09745	12.6
96.94403	13.7
97.57490	11.0
98.19788	33.8
124.41518	13.4
136.77890	12.4
145.61441	10.9
152.99594	15.1
195.13864	17.1
199.03064	12.0
209.11853	100.0
227.12897	14.4
235.09512	43.0
253.09373	28.6
277.21854	68.4
279.19711	43.7
293.21228	36.1
422.90875	16.6
471.18253	14.9
669.97070	13.9
709.38129	13.7
791.43066	35.0
792.44495	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55590	0.1
56.59549	0.1
59.01266	0.3
61.42575	0.1
61.98709	0.6
63.94461	0.1
71.01252	0.4
72.10802	0.1
73.02846	0.1
75.41985	0.1
78.95792	3.4
79.95624	3.0
84.61282	0.1
85.02821	0.1
86.70966	0.1
87.00749	0.1
96.95911	100.0
96.96793	4.7
97.02807	0.1
97.95826	0.4
98.02372	0.3
98.95499	0.1
99.00765	0.2
101.02351	0.2
113.02350	0.1
116.92740	0.1
117.01823	0.1
118.96526	0.1
121.02828	0.1
122.06002	0.1
124.18769	0.1
134.03673	0.1
136.07652	0.1
146.96051	0.1
148.36745	0.1
149.02412	0.1
152.07172	0.1
165.05481	0.1
171.10252	0.4
173.04503	0.1
175.04001	0.1
191.05556	0.1
197.11807	0.1
201.11308	0.2
205.08627	0.1
209.11786	0.3
225.11351	0.2
235.08209	0.1
247.36676	0.1
253.09344	0.2
269.04349	0.1
293.21310	0.4
307.84531	0.1
309.20715	0.1
327.21964	0.2
354.09906	0.1
361.04626	0.1
397.13599	0.1
415.14734	0.2
434.85596	0.1
435.08151	0.2
453.09375	1.5
454.09763	0.1
692.22357	0.1
729.30573	0.2
789.42377	0.3
795.63043	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	789.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
55.74788	0.7
59.00988	0.8
59.01266	6.3
61.98713	3.2
69.38642	5.3
71.01273	7.8
72.99207	1.3
73.02831	1.5
75.82535	0.7
78.95794	1.7
80.04945	1.7
85.02829	1.3
87.00777	0.8
89.02338	3.1
94.06546	0.6
96.95914	41.4
96.96886	1.3
101.02337	2.2
108.07452	0.7
108.08097	4.4
113.02361	1.7
119.03445	1.1
120.08110	3.7
121.05235	3.4
122.06057	9.4
125.09604	0.8
132.04465	1.2
134.06093	1.9
135.03204	0.7
135.04402	0.7
136.07613	100.0
137.02449	0.7
137.07936	4.2
146.06102	0.7
148.04050	0.6
152.03487	0.8
153.04256	2.7
160.04065	0.9
161.04694	0.8
171.10207	3.9
173.04596	1.2
174.05556	1.2
177.41818	0.6
181.04935	0.9
191.03406	1.0
191.05600	1.2
199.09807	0.7
201.11305	3.1
205.08794	0.6
207.10254	0.8
209.11824	2.3
210.12064	0.8
211.13518	0.9
215.11934	1.4
221.08217	1.2
223.08678	2.9
224.09441	1.9
225.10202	1.3
229.13542	0.8
235.12486	0.8
236.09573	1.1
237.06677	1.7
237.10356	2.9
238.11108	1.7
239.11949	2.8
241.13445	1.2
243.12500	0.8
249.10332	1.0
250.07565	1.2
251.08266	3.3
251.11932	2.8
251.16620	0.7
253.09569	1.9
263.08310	2.0
263.11905	0.9
264.09103	3.7
265.09888	2.5
266.10663	0.8
269.13071	0.8
271.10764	0.7
276.09329	0.7
277.09857	2.5
278.10553	1.5
279.11441	6.9
280.12009	1.4
281.12930	0.7
283.10934	1.1
289.87558	0.6
291.07968	1.4
291.11450	2.0
296.11545	0.8
297.12625	0.9
304.08475	0.7
305.09445	1.9
307.10870	3.5
308.11224	1.0
309.12500	1.6
309.20728	1.5
319.10941	2.0
327.21954	1.2
339.13635	7.8
340.13974	0.9
346.15771	1.0
351.13705	1.7
356.14063	0.7
358.11963	0.8
359.16400	1.9
360.17239	3.8
361.17645	0.9
372.17554	1.3
373.18127	1.0
384.17407	1.2
385.13794	0.7
386.15002	2.8
386.19357	4.3
387.19360	2.0
388.20300	1.2
389.05951	0.7
398.15213	1.3
400.16327	1.3
401.16602	1.5
402.18054	1.5
414.18311	2.3
418.17810	0.7
428.20508	3.2
429.20856	0.7
432.19373	6.9
440.16113	4.9
454.18015	1.1
455.18497	1.5
459.18112	1.2
460.18863	3.8
461.19308	0.8
472.19037	3.5
473.19427	1.9
474.20300	0.8
486.20502	2.3
487.21432	2.3
488.21985	15.1
489.22424	2.5
489.82492	0.7
492.21576	0.8
498.15320	0.7
504.21439	9.1
505.22198	1.8
509.25824	2.7
510.25247	0.7
535.23615	2.2
536.24658	0.8
551.26514	4.3
552.27545	1.3
555.26245	0.8
577.24866	3.0
595.25696	14.9
596.26196	3.5
609.27307	68.1
610.27747	13.0
627.28381	43.0
628.28839	9.6
652.29523	0.7
669.29504	14.5
670.30029	2.6
699.30988	0.7
721.41980	0.8
729.31726	2.3
789.43188	3.4
790.43018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.0
57.03325	1.9
59.01270	8.9
61.98423	1.3
61.98721	18.4
69.03345	7.2
70.36958	0.7
71.01270	11.6
71.04919	3.9
72.99198	1.2
73.02832	1.6
78.95795	2.2
80.02559	0.9
82.88702	0.8
83.01286	1.2
83.04914	2.9
85.02847	3.3
87.00788	1.4
89.02364	4.6
93.03349	1.4
94.97989	0.7
95.01274	1.7
95.04932	1.2
96.95908	8.3
97.02857	2.9
97.06477	2.9
99.00766	1.2
101.02340	5.1
106.58833	0.7
107.57523	0.7
109.06499	8.9
113.02333	3.6
119.03449	1.0
123.08068	1.2
125.09631	3.7
126.90367	0.9
133.02943	0.7
145.04997	0.8
151.03661	0.7
151.11237	3.6
153.12787	2.1
155.54485	0.8
161.04543	1.7
161.09666	5.0
169.12297	2.6
171.10191	3.8
173.04495	1.2
179.03310	0.9
179.10735	8.4
181.12297	2.5
191.05589	1.1
197.11813	88.3
198.12097	4.2
199.13347	2.3
207.10228	2.5
209.11755	4.8
211.13419	7.5
221.11761	1.0
223.09784	4.4
225.11230	3.4
227.12856	1.1
241.10847	4.8
243.12222	1.0
253.09399	5.4
289.18179	1.2
295.94357	0.9
307.19067	1.2
325.20129	5.3
343.21359	4.5
422.02112	0.9
459.18768	2.9
477.19843	1.7
499.84729	0.9
545.78705	0.9
603.84851	0.8
671.33246	0.9
767.39227	1.0
785.39856	100.0
786.40192	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	785.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03320	1.5
58.00473	0.6
59.01261	5.8
61.98720	3.5
67.01777	0.4
69.03342	5.4
71.01268	7.5
71.04908	2.1
73.02842	1.0
78.95798	0.5
80.02573	0.5
81.03360	0.8
81.19572	0.3
83.01302	0.7
83.04927	1.5
84.02053	0.6
85.02850	2.4
87.00779	1.3
88.98684	0.4
89.02345	3.0
92.92693	0.5
93.03352	0.4
95.01309	0.7
95.04920	1.2
96.95925	1.9
97.02857	0.9
97.06495	1.0
98.19811	0.5
99.00771	0.9
99.04414	0.6
99.08029	0.6
101.02349	4.4
108.02072	0.4
109.02896	0.5
109.06508	1.0
111.00756	0.5
111.04430	0.4
111.08105	0.5
112.05229	0.5
113.02367	2.4
115.07558	0.5
119.03408	0.5
121.02874	0.5
122.05987	0.3
123.04452	0.5
123.08087	1.6
125.09636	4.0
127.07578	2.9
135.04485	0.4
135.08102	0.5
137.09680	0.7
139.07574	1.1
141.09135	0.4
149.09621	0.6
151.11223	2.7
153.09178	2.2
153.12814	1.8
155.10730	0.8
156.40776	0.3
161.04491	1.2
161.09651	3.8
163.11208	1.4
165.09119	0.3
165.12814	0.8
171.10225	4.2
178.09941	0.8
179.10744	6.2
181.12230	0.6
183.12428	0.3
185.11815	5.2
191.10756	0.7
191.14427	0.4
197.11813	69.2
198.12161	3.6
199.13344	0.5
207.10251	1.3
209.11826	18.5
210.12146	1.0
211.13416	0.4
219.10196	0.4
221.11777	0.6
223.09763	1.2
225.11328	1.5
227.12862	0.4
229.20905	0.4
235.08162	0.6
236.05493	0.3
237.11234	0.5
238.12041	0.7
241.10829	3.9
245.19141	1.2
251.16437	0.4
253.09314	2.7
256.13171	0.4
263.20102	0.5
279.19702	0.6
289.18158	3.2
290.18539	0.4
307.19232	8.5
308.19540	0.8
325.20300	2.0
382.67520	0.4
459.18719	0.9
477.19952	1.7
543.28278	0.5
723.39740	0.8
767.38782	5.1
768.38995	1.2
785.39825	100.0
786.40179	20.1
786.55060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.5
57.03339	0.4
59.01263	4.6
61.98714	3.7
63.96124	0.5
67.93489	0.4
69.03334	0.6
69.55476	3.2
70.60829	0.4
71.01267	7.4
73.02824	1.8
78.95798	1.1
78.98476	3.1
79.21871	0.4
79.95614	7.4
80.02579	0.8
80.96410	37.7
81.03348	1.6
82.96021	0.7
83.01282	1.0
83.04919	4.0
85.02822	2.0
87.00771	1.9
89.02342	2.1
89.84753	0.4
94.97981	9.0
95.01299	0.4
95.04915	0.4
96.95915	1.0
97.02795	0.9
99.00807	0.6
99.04424	0.5
101.02335	4.0
104.11628	0.4
106.97972	1.3
113.02357	1.7
113.91537	0.5
119.03410	0.7
122.97501	1.8
125.02367	1.8
125.06011	0.6
125.09600	0.6
127.03899	0.8
134.97508	2.9
136.99049	0.5
148.99098	3.1
152.98592	3.3
161.04514	1.0
163.11221	3.3
164.98578	7.1
165.12770	1.9
166.13222	0.4
171.10156	0.4
181.12210	0.7
187.16962	0.4
188.98723	0.4
191.10744	1.0
199.13391	0.8
201.11340	0.6
206.99693	1.7
207.64648	0.4
209.11815	100.0
210.12149	5.5
210.14029	0.7
225.00749	14.8
227.12874	11.9
228.13153	0.9
235.08197	2.7
244.27020	0.4
253.09323	6.8
255.23256	0.9
261.58301	0.4
277.21771	70.5
278.22089	7.2
293.43716	0.4
354.45959	0.5
380.51578	0.5
445.20865	1.8
483.15280	1.0
483.87616	0.4
513.30841	0.6
527.17792	0.7
537.27594	1.1
739.39032	2.2
783.42181	43.5
784.42407	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03343	3.0
58.11311	1.0
59.01268	12.6
59.72117	1.0
61.98725	16.4
67.00081	0.8
69.03334	1.2
71.01272	15.2
71.04908	4.9
72.99190	1.3
73.02845	2.3
78.95820	2.3
81.03367	1.1
83.01264	1.3
83.04914	3.5
84.02061	1.2
85.02846	4.9
87.00771	2.5
89.02346	5.7
93.03389	2.1
95.01281	1.7
95.04943	1.8
96.95916	24.2
97.02853	4.3
97.06501	3.7
99.00171	1.6
99.00786	21.9
101.02329	7.7
108.79028	1.1
109.06484	4.7
111.00778	1.2
111.04446	1.4
113.02350	3.7
115.07499	1.1
118.85548	0.9
119.03413	1.4
122.06023	1.6
123.04456	1.2
123.08053	2.3
125.09650	12.3
127.00327	1.0
127.07576	2.9
127.11196	1.6
135.08134	1.5
137.02376	1.6
137.09642	1.7
142.02640	1.1
151.11230	1.8
152.07100	2.5
153.09131	3.2
153.12822	1.0
161.02327	1.1
161.04544	1.6
161.05887	1.1
161.09549	1.2
163.11253	14.6
165.12799	1.4
171.07922	1.2
171.10220	27.5
173.04555	2.3
175.04002	1.2
179.10788	1.4
181.12302	21.1
182.12473	1.0
185.11786	3.3
191.05563	1.8
197.11839	14.9
198.12209	1.8
199.13379	10.9
201.09506	0.9
201.11215	4.7
207.08351	2.1
207.10265	30.5
208.10579	2.9
209.11827	25.9
210.12172	2.0
211.13387	3.1
215.12769	1.6
225.11328	53.3
226.11717	2.0
227.12993	1.6
229.21414	1.0
235.08250	2.5
243.12404	25.4
244.12794	1.8
245.19330	1.6
253.09325	7.1
271.16916	1.3
289.18210	3.8
299.14981	1.0
307.19269	14.7
309.20609	1.1
325.20239	10.1
326.20444	1.3
327.21701	1.4
340.29849	1.0
384.12793	1.0
407.19617	1.2
461.20261	4.4
479.21475	8.2
543.28400	4.4
625.26715	2.2
703.71680	1.1
751.39087	2.0
769.40094	17.3
770.40894	3.6
787.41425	100.0
788.28040	1.7
788.41907	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03316	1.2
58.00476	2.6
59.01265	48.6
61.98701	1.2
69.03344	0.5
69.65105	1.0
69.65527	1.7
71.01268	33.1
72.99184	3.9
73.02833	5.7
74.75768	0.4
75.00750	0.9
80.96355	0.4
83.01283	2.4
85.02841	13.9
87.00771	5.1
87.04382	1.1
89.02337	27.8
95.01281	2.4
96.95909	0.8
97.02866	0.7
99.00771	1.0
101.02346	20.8
103.03890	2.6
105.01817	1.2
113.02354	13.0
115.03950	2.4
116.92804	0.6
119.03415	11.5
125.02360	0.8
131.03418	3.5
132.03731	0.4
143.03436	5.2
145.04971	0.9
161.04504	2.6
163.06053	5.6
173.04485	0.6
179.05568	4.0
205.07123	3.5
247.08308	2.0
274.37869	0.4
575.35950	3.3
721.41833	100.0
722.42206	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.5
61.98726	1.2
77.03858	0.4
82.31592	0.3
91.01810	0.7
94.40604	0.3
98.19737	0.5
103.88710	0.3
108.90125	0.4
118.94205	0.3
120.61136	0.3
121.02872	100.0
122.03213	3.9
124.54510	0.3
136.01590	0.4
165.01949	2.2
180.05721	0.4
181.06589	2.7
191.03471	1.4
191.05504	0.3
197.11818	1.3
209.04544	68.3
210.04871	3.4
222.58653	0.3
225.05612	2.8
253.09239	0.4
282.07840	0.3
309.20557	0.4
313.07220	4.5
314.07809	0.4
357.06201	1.8
401.08884	9.5
402.09372	1.0
549.10577	0.5
741.14453	0.4
785.17853	1.7
786.16962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
58.34909	0.3
59.01263	10.1
67.29993	0.3
67.49054	0.3
69.27921	0.3
71.01263	3.1
71.04909	0.6
71.14394	0.6
73.02843	0.9
79.95615	1.0
80.96408	4.6
80.96863	0.5
82.82101	0.3
83.01276	0.4
83.04913	0.5
85.02869	0.7
87.00781	0.7
89.02351	1.2
94.97995	0.8
95.04863	0.4
97.02857	3.3
97.06493	0.7
99.00166	0.5
99.00780	6.4
101.02330	2.4
109.06525	0.6
110.03675	0.4
113.02374	1.3
123.08053	0.6
125.02325	0.6
125.09661	1.6
135.08096	0.7
136.05272	0.7
142.02655	0.8
148.99107	0.5
152.98575	0.5
161.04474	0.6
163.11217	3.9
164.98634	0.9
176.19408	0.3
181.12317	7.4
182.12691	0.5
186.67619	0.3
188.40561	0.3
197.11696	0.4
199.13434	0.5
206.99754	0.4
207.10246	21.9
208.10568	1.5
225.00694	1.3
225.11328	54.8
226.11653	2.7
233.22890	0.4
235.08276	2.9
243.12402	6.4
244.12872	0.5
253.09364	3.4
277.21777	100.0
278.22137	10.1
333.94583	0.3
349.40680	0.4
387.16537	0.5
405.17783	0.7
443.19342	5.7
444.19135	0.4
449.56061	0.3
461.20438	6.6
462.20810	0.6
513.30731	1.1
577.37030	0.5
721.41864	21.1
722.41949	5.7
781.40613	5.7
782.41095	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	781.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03329	1.4
58.00480	3.2
59.01262	54.7
60.01582	0.5
62.72701	0.4
67.63879	0.4
69.03332	0.5
70.65108	0.8
70.65501	0.8
71.01267	33.4
72.99203	3.9
73.02826	6.1
75.00758	0.4
83.01283	2.8
84.60349	0.4
85.02840	12.6
85.99989	0.6
87.00768	4.6
87.04425	1.3
89.02334	30.1
95.01289	2.8
95.40358	0.4
95.80512	0.3
97.02863	0.7
99.00774	0.9
99.04443	0.4
101.02341	21.5
102.02689	0.6
103.03918	3.1
113.02351	13.9
115.03916	1.4
119.03416	12.3
119.54321	0.4
125.02365	0.8
127.03947	0.5
131.03412	3.9
143.03436	4.3
145.04987	1.5
146.50131	0.3
149.04456	0.5
152.71765	0.4
161.04529	1.6
163.06052	5.0
164.22752	0.4
179.05569	4.2
205.07181	3.7
243.75407	0.4
247.08284	2.2
285.16324	0.4
293.34958	0.4
407.13834	0.4
465.07669	0.4
575.36023	2.5
576.36658	0.4
598.81213	0.4
603.10364	0.4
704.33423	0.4
721.41815	100.0
722.42108	23.3
781.41968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57182	0.1
59.01261	0.7
59.97534	0.1
60.99192	16.4
61.62994	0.1
61.98719	6.6
71.01272	0.5
72.99203	0.4
75.00758	0.2
87.00783	1.6
88.00295	2.0
88.98700	100.0
89.02336	7.3
89.02896	0.3
89.99031	1.2
90.02668	0.2
96.95926	0.3
101.02344	0.4
103.62855	0.2
109.43387	0.1
113.02329	0.2
142.08218	0.1
161.04530	0.2
209.11864	0.5
221.06435	0.1
272.97458	0.1
293.21292	1.2
306.05554	0.2
323.22391	0.3
361.33392	0.2
397.13602	0.8
398.13885	0.2
415.14691	0.6
491.06528	0.2
721.36810	0.2
734.61566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.9
60.47224	2.6
61.05614	3.1
61.98689	6.5
67.69116	3.3
68.36105	2.6
69.00842	2.9
69.32863	11.4
69.33290	19.4
70.35237	2.6
71.41962	2.7
74.51746	2.5
74.98991	2.8
76.59232	2.7
78.95819	7.0
85.35896	2.7
90.01836	3.4
93.00276	2.9
93.03342	2.6
98.19768	6.3
113.02426	4.1
171.10266	5.0
201.11331	48.4
202.11752	3.8
209.11821	78.1
210.12109	6.1
211.13487	4.2
223.13004	3.6
224.41225	3.5
227.12895	18.8
235.08231	11.4
253.09410	14.7
277.21796	100.0
278.22076	12.6
293.21164	3.8
419.19305	3.3
437.19983	7.5
445.20776	11.8
461.32925	4.6
513.30695	10.6
697.41888	7.7
742.33398	3.8
777.42255	36.7
778.42303	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	781.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01284	0.5
59.15626	0.3
61.40283	0.3
69.11650	0.4
69.37639	1.2
69.38063	1.9
72.00136	0.3
78.95795	37.9
82.23376	0.3
85.02844	0.4
88.11470	0.3
89.02349	0.6
96.96865	100.0
98.19752	0.6
101.02348	0.4
119.03426	0.4
149.15520	0.3
157.46382	0.3
221.80710	0.3
283.52917	0.4
341.10849	1.6
356.50415	0.3
439.08670	36.6
440.09009	3.5
532.10370	0.3
790.07611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.1
61.98709	0.1
69.61159	0.4
71.01268	0.1
76.86262	0.1
78.95790	3.6
79.95622	2.5
79.96097	0.1
83.02397	0.1
83.04934	0.1
89.02387	0.1
93.03358	0.1
95.97482	0.1
96.95912	100.0
96.96796	5.2
97.95827	0.3
98.02372	1.0
98.03491	0.1
173.04453	0.1
191.05510	0.1
225.16142	0.1
240.05379	0.1
368.05093	0.1
677.49811	0.1
716.50775	0.5
775.46289	0.3
776.48492	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	0.8
62.19286	0.1
71.01270	0.4
71.59122	0.1
72.99190	0.1
78.95793	3.6
79.95623	2.7
81.98753	0.1
89.02340	0.1
92.05098	0.1
93.49297	0.1
94.98003	0.2
96.95914	100.0
96.96799	4.8
97.02844	0.1
97.95859	0.5
98.02381	0.3
118.96564	0.1
140.31812	0.1
147.26997	0.1
173.04498	0.1
227.12711	0.1
272.53555	0.1
279.23373	0.2
361.04614	0.1
409.19284	0.2
435.08328	0.3
453.09262	0.3
715.32751	0.7
716.33215	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07467	3.2
59.01261	6.5
61.98702	9.6
71.01264	4.2
73.02819	6.4
78.95807	7.1
91.30143	2.8
98.19812	6.1
101.02361	5.4
109.06484	10.4
113.02322	3.2
144.21480	3.4
161.09758	3.4
163.11215	5.5
171.10251	17.6
181.08664	3.7
181.12285	5.1
189.09221	3.5
199.09734	29.2
201.11317	14.3
207.10246	49.7
225.11313	55.8
235.08044	4.3
253.09396	15.9
277.21793	100.0
278.22046	9.3
332.71341	3.4
400.37457	3.0
435.18613	10.8
443.19205	14.0
461.20343	19.1
513.30475	3.8
677.38562	4.8
695.40161	56.5
696.40814	13.5
721.41736	61.7
722.42249	14.9
739.42987	5.7
775.40125	24.8
776.41107	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	775.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89128	3.3
61.98714	17.3
69.74246	3.4
71.01273	10.7
71.58607	4.4
71.59037	6.8
78.95815	9.1
88.98673	4.6
89.02299	3.9
96.69616	3.6
96.95906	5.3
113.02392	3.6
163.11249	6.0
171.10274	31.4
171.11577	5.8
199.09769	8.9
201.11263	20.7
207.10271	17.9
225.11328	57.4
235.08299	12.3
236.08806	4.3
253.09309	14.0
255.23267	8.8
277.21786	100.0
278.22043	9.4
345.18530	4.6
415.04022	3.8
443.19037	9.1
458.81454	4.9
461.20578	16.5
695.40546	17.1
721.41602	37.1
722.42291	8.8
775.40753	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	773.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	23.9
61.98717	37.9
69.03339	3.6
71.01280	9.9
73.02837	3.2
75.73450	2.0
77.07903	2.1
78.95809	7.3
81.28487	2.3
83.01267	3.8
83.04955	2.7
85.02860	5.9
93.03355	4.9
96.95917	14.8
99.66745	2.7
101.02348	7.4
102.45378	2.4
111.04459	4.3
134.03680	3.7
134.59041	2.4
135.04466	2.7
136.05222	5.6
137.05995	4.4
144.41554	2.3
145.02936	2.7
149.06100	3.7
151.07588	22.3
168.19797	2.3
171.10258	3.9
173.04509	7.4
175.03926	4.4
191.05586	3.0
193.08682	2.7
209.11818	100.0
210.12201	7.6
225.11139	2.5
227.12949	24.5
228.13205	2.9
235.08301	4.2
249.78514	2.5
253.09407	7.2
258.98230	2.6
324.84903	2.4
377.57755	2.5
445.20764	12.2
591.33972	7.0
619.37994	2.7
637.32397	3.9
669.38489	13.5
673.34949	4.1
711.40234	8.6
773.37213	42.2
774.37793	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	773.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	14.3
61.98709	47.9
71.01305	13.2
71.58017	12.2
71.58427	18.6
78.19017	12.1
78.95809	58.0
88.98690	54.1
96.95910	59.6
99.00841	12.7
101.02377	16.5
113.02400	11.7
144.42357	11.4
152.99519	13.9
169.12282	56.5
171.10274	29.5
171.21242	12.4
173.04602	17.0
187.86142	12.7
191.05533	15.4
196.67577	14.7
201.11267	16.0
207.10326	20.9
216.97234	12.8
225.11311	43.2
226.34608	13.1
235.08150	15.6
293.21292	24.1
295.22757	24.3
330.24371	12.6
461.20352	28.8
737.41418	25.9
766.69067	13.2
773.39276	100.0
774.41467	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	775.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75351	0.3
57.03352	1.7
59.01272	0.4
61.98706	1.3
62.47110	0.3
65.00229	0.3
67.01765	0.5
68.17908	0.3
68.45129	0.3
69.03343	4.1
71.01269	0.4
74.46109	0.4
82.95308	1.1
83.02420	1.1
83.04900	0.4
84.01959	0.5
93.03373	3.2
96.95919	0.4
108.02081	0.4
109.02861	1.4
116.92795	2.2
119.01310	1.7
119.04948	2.2
121.02874	3.1
123.00857	0.6
123.04433	0.5
131.04871	0.6
134.03664	0.5
135.00818	0.9
135.04445	3.7
136.01610	2.2
137.02373	4.0
137.05891	0.7
138.03128	0.6
145.02843	0.6
145.06429	0.3
147.00841	3.0
147.03290	0.8
147.04456	14.7
148.01601	3.0
148.04828	0.4
149.02377	8.6
149.06036	2.2
150.03108	1.2
151.03960	3.1
159.04437	0.9
160.05228	0.4
161.06082	1.2
162.03152	1.8
163.00404	0.5
163.03938	4.0
163.07568	0.4
164.01099	3.7
164.04744	19.8
165.01877	10.6
165.05515	2.9
166.02664	0.6
171.10284	0.7
173.02390	0.4
173.04544	0.5
173.06059	0.6
174.03174	2.7
175.03964	100.0
176.04704	17.2
177.01898	0.6
177.05528	7.9
178.02686	0.5
178.05913	0.7
179.03485	23.5
179.07092	44.6
180.04156	4.3
180.07416	2.4
181.05017	0.3
188.04715	0.4
189.05550	1.0
190.06320	77.1
191.03522	5.2
191.07079	20.4
192.04121	1.2
192.07454	0.6
193.05006	1.5
193.08656	3.9
194.05806	4.5
195.06627	0.9
205.08685	90.7
206.05933	2.4
206.09019	5.0
207.06625	2.2
207.10251	1.6
208.07416	0.8
209.08163	0.4
209.11891	0.7
210.12225	0.4
221.08189	7.1
222.08583	0.4
223.09799	2.1
255.98514	0.3
279.06772	0.5
304.32248	0.3
311.09714	0.4
325.11002	0.4
328.09409	0.5
339.08798	0.5
343.11908	2.4
355.15414	0.5
356.12668	1.0
357.13608	1.0
367.15543	0.9
369.13480	20.1
370.13834	1.6
371.11246	3.4
371.15100	8.2
372.11667	0.8
372.15814	0.7
373.12027	0.6
373.16623	10.2
374.16769	0.8
385.16730	1.3
386.13684	3.3
387.14395	1.0
388.15067	0.4
389.15985	0.5
401.16110	19.9
402.16617	3.1
403.17645	8.4
404.18069	0.6
427.17642	0.7
491.77472	0.4
541.56714	0.5
551.23157	1.6
563.22900	2.1
564.23602	0.5
566.22198	0.6
577.24506	0.5
581.24036	50.3
582.24359	9.5
595.25690	1.0
757.32861	1.1
775.33521	21.5
776.33563	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	771.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
55.08500	0.2
57.03331	1.1
58.00470	0.4
59.01265	4.9
61.98422	0.4
61.98718	5.8
67.01762	0.3
69.03339	2.0
69.87483	1.3
70.55453	0.2
71.01266	5.0
71.04906	1.1
72.99187	0.5
73.02855	1.2
78.91775	0.7
78.95788	0.5
80.02577	1.7
81.03349	1.6
83.01271	0.8
83.04919	5.6
84.02052	1.0
85.02849	1.6
85.06493	0.3
87.00778	0.8
89.02346	2.5
93.03336	0.5
95.01281	0.5
95.04930	1.4
96.95914	0.7
97.02839	0.9
97.06480	1.1
99.00786	0.6
99.04404	0.6
101.02346	3.6
107.04913	0.3
109.02863	0.4
109.06507	2.4
111.04405	0.3
111.08080	0.6
113.02363	2.1
115.07563	0.7
118.68124	0.3
119.03412	0.6
121.02835	0.5
121.06464	0.4
123.04424	0.5
123.08090	0.5
125.02343	0.5
125.05990	0.7
125.09630	1.8
127.07567	1.0
127.11209	0.5
135.04500	0.4
135.08128	1.4
137.09660	0.7
139.07538	0.4
141.01909	0.3
141.09102	0.6
143.03401	0.4
145.04977	0.5
147.11700	0.4
149.05908	0.3
153.09157	6.5
154.09503	0.3
155.10712	0.7
161.04500	1.5
163.11238	5.4
165.12787	3.1
169.12344	0.3
171.10225	14.7
172.10527	0.7
177.12727	0.3
178.09924	1.1
179.05548	0.6
181.12305	1.3
185.00894	1.1
185.11833	2.5
191.10751	1.9
191.14342	0.6
193.12309	0.3
197.11812	5.4
198.12144	0.3
199.13373	0.4
201.11275	1.8
207.10234	2.2
207.41351	0.2
209.11815	100.0
210.12164	5.5
211.13345	2.0
219.13936	0.3
221.11845	0.7
223.13292	0.3
225.11337	2.3
227.12892	12.9
228.13225	0.8
235.08252	3.6
235.13467	0.7
235.20726	0.2
236.10696	0.4
237.14883	0.6
238.12123	0.7
239.12730	0.4
245.19099	1.1
251.16666	0.3
253.09312	10.1
254.09781	0.5
263.20071	0.4
271.17093	0.4
279.19778	0.4
281.21246	0.3
289.18143	5.6
290.18423	0.6
291.19711	1.0
297.20709	0.7
307.19214	27.9
308.19559	3.0
309.20740	2.9
317.21878	0.3
325.20255	17.5
326.20575	1.8
327.21844	0.8
345.20737	0.7
363.21683	0.5
381.23065	0.3
406.19058	0.3
407.19263	0.7
445.20996	1.6
461.20218	0.5
463.21585	0.3
474.21133	0.4
499.30954	0.4
525.27020	1.3
543.28241	5.9
544.28351	1.1
561.29272	1.7
562.29871	0.3
586.36145	0.4
599.30750	0.5
611.31000	0.4
666.33014	0.5
684.33551	1.3
735.39673	3.3
736.40454	0.7
753.40857	5.2
754.40399	1.3
771.41791	3.0
772.42303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06244	0.1
61.98701	0.3
70.79694	0.2
70.80040	0.1
71.01263	0.3
78.95795	3.5
79.95626	2.9
79.96092	0.2
94.97981	0.2
96.95913	100.0
96.96798	4.4
97.95848	0.4
98.02367	0.4
171.10225	0.1
173.04550	0.1
185.81256	0.1
209.11787	0.2
277.21939	0.1
293.21442	0.1
361.04407	0.1
399.96567	0.1
407.17661	0.1
435.08170	0.2
453.09460	0.4
713.30853	0.5
714.31586	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66819	0.1
59.01257	0.2
61.98715	0.1
68.95171	0.1
69.68487	0.4
69.68897	0.2
71.01269	1.8
78.95792	2.6
79.95631	2.9
94.97993	0.3
96.00822	0.4
96.95914	100.0
96.96796	3.7
97.02857	0.1
97.95837	0.2
98.02374	1.1
98.90663	0.2
109.06480	0.1
163.11227	0.1
171.10233	1.8
199.09752	0.4
201.11340	0.3
207.10208	0.5
209.11848	0.1
225.11339	0.4
232.56593	0.1
240.90924	0.1
253.09450	0.4
275.20145	0.1
293.21268	1.2
311.22430	0.1
442.12616	0.1
453.09235	0.1
713.30865	0.2
737.41516	0.2
773.43500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22780	0.9
59.01255	3.1
63.02285	2.1
65.00211	2.3
71.01267	1.5
71.57863	1.4
83.01293	2.4
93.03351	2.1
96.95898	1.9
103.15386	0.8
107.01287	5.6
108.02052	1.8
109.02854	2.7
111.00742	1.0
120.46024	1.0
121.02864	3.3
125.02337	1.3
144.23195	1.1
151.00319	17.9
152.00986	1.2
161.02318	1.5
163.00288	3.9
169.01352	3.3
173.04373	1.3
178.99812	11.9
191.05569	2.5
192.00761	1.0
199.03937	2.1
211.03938	2.0
215.03511	1.6
216.04300	1.4
226.02696	1.6
227.03503	3.9
229.05168	1.3
243.02998	12.4
254.02264	1.9
255.03027	32.3
256.03455	2.4
270.01791	1.3
271.02530	62.4
272.02997	8.0
273.03970	2.4
283.02466	2.9
284.03259	1.4
285.03625	1.4
299.02118	7.5
300.02817	100.0
301.03531	51.2
302.03912	3.2
316.02286	2.4
317.02908	2.4
489.19998	1.1
621.53003	1.1
654.47101	1.1
736.73242	1.2
771.20026	84.1
772.20331	18.6
779.65344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.6
57.03336	0.6
59.01264	100.0
60.01595	1.2
63.40809	0.2
66.46332	0.2
67.98057	0.2
71.01268	9.9
71.59077	0.2
71.59510	0.2
72.99226	0.3
73.02837	3.5
75.84888	0.2
78.11676	0.2
83.01272	1.7
85.02839	4.4
86.03233	0.2
87.00780	0.3
89.02342	3.1
93.03374	0.2
95.01305	0.8
96.95912	0.3
97.02851	0.4
99.00779	2.1
101.02347	7.7
101.03015	0.4
105.15053	0.2
107.01313	0.3
107.04940	0.2
110.35035	0.2
111.00783	0.2
113.02357	3.9
119.03499	0.2
121.02854	0.2
122.98300	0.2
125.02391	0.5
131.03433	0.6
135.04425	0.3
142.30219	0.2
143.03438	0.5
149.04492	2.3
151.00363	0.8
159.02986	0.7
161.02460	0.2
161.04504	4.4
164.04884	0.2
173.04591	0.5
178.99797	0.3
179.05565	0.2
179.07011	0.2
191.05669	0.6
199.03979	0.2
210.74599	0.2
243.03020	0.8
244.03235	0.2
245.03633	0.2
255.03108	0.7
258.60266	0.2
266.25739	0.2
269.10352	11.9
270.10593	0.8
271.02472	1.5
272.02994	0.5
273.03223	0.3
293.09430	0.2
299.02136	0.7
300.02710	1.6
301.03375	1.1
311.11435	8.6
312.11771	0.6
314.04520	0.5
315.04791	0.5
316.05063	0.3
347.75180	0.2
355.10394	0.4
415.16226	2.7
416.16785	0.3
459.15451	0.3
495.31027	0.2
597.62292	0.2
771.21747	2.7
772.21436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11268	0.5
59.01263	1.6
59.47069	0.5
65.00210	1.0
71.01269	0.6
71.58199	0.6
71.58665	0.9
83.24733	0.5
85.21989	0.5
91.11010	0.6
93.03411	0.6
107.01305	1.6
108.02075	0.7
135.04529	0.7
143.04910	0.7
145.02831	0.8
151.00323	7.0
152.01083	0.8
159.04457	0.6
161.02299	1.1
169.01424	1.5
171.04446	1.0
171.98598	0.6
173.04527	1.4
178.99838	2.2
183.04449	2.5
185.02345	0.7
187.03947	0.9
199.03963	7.0
201.01987	0.9
203.03391	0.8
215.01617	0.7
215.03448	3.1
227.03487	7.7
228.04027	1.0
242.02289	5.5
243.03012	33.9
244.03458	2.6
251.09213	0.6
255.03023	14.6
256.03421	1.5
257.04544	4.3
270.01700	6.0
271.02533	43.1
272.02994	4.9
285.04114	8.8
286.04752	3.9
287.05603	2.4
299.02023	79.9
300.02679	19.9
301.03235	2.3
313.03625	1.5
314.04385	72.8
315.05078	30.2
316.05469	2.2
368.05106	0.6
392.71997	0.7
483.42606	0.6
514.01599	0.7
596.84357	0.6
614.42780	0.7
769.22107	100.0
770.22449	22.2
770.36456	1.3
770.52197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.1
65.00206	5.1
68.99673	1.3
69.76517	7.1
71.01263	2.1
83.01291	2.1
95.01285	2.3
97.62798	1.0
98.19819	2.1
98.64755	0.9
101.02348	1.0
107.01278	4.7
108.02077	1.9
109.02835	1.7
110.00008	13.6
111.00813	5.1
123.00813	6.0
124.01618	5.3
125.02374	1.4
135.00822	1.3
136.98749	2.4
137.02312	1.5
137.99496	4.3
139.00299	17.0
143.04871	1.4
145.02873	1.4
146.03592	1.3
147.04474	1.3
148.01628	2.2
149.02365	2.1
149.97253	1.0
150.54762	1.1
151.00319	17.7
152.01099	8.2
159.04460	2.3
161.02365	2.8
163.00276	3.8
164.01085	4.1
165.99054	15.4
166.99828	5.6
169.01379	1.7
171.04449	2.9
173.02332	2.2
174.03142	1.6
175.00272	1.9
175.03920	2.6
176.01106	1.6
178.13504	0.9
178.99828	19.3
180.00275	2.0
183.04453	1.9
185.00826	1.0
185.02344	1.4
186.03210	1.4
187.03961	4.5
189.01842	1.7
190.99698	1.2
191.05544	2.1
192.00587	1.8
193.98521	1.5
194.99278	1.8
195.40456	1.2
197.02480	1.8
198.03169	2.8
199.03981	6.9
201.01906	3.6
202.02516	1.6
203.03438	4.6
211.04016	1.5
214.02681	4.4
215.03503	6.8
216.04068	2.4
217.01476	1.3
217.05217	1.1
226.02727	2.3
227.03508	9.1
228.03909	1.4
229.01437	1.9
231.03079	5.3
232.03497	1.9
241.01503	2.2
242.02190	8.4
243.03026	17.0
244.03786	2.3
245.04399	1.2
255.03044	10.9
259.02457	8.1
260.03311	2.5
270.01767	11.8
271.02533	68.9
272.03134	11.9
273.03827	2.5
285.17236	1.0
287.02051	29.5
288.02704	14.1
289.03101	1.7
298.01123	3.0
299.02032	71.8
300.02573	11.5
301.03571	3.8
302.03641	1.5
315.01511	6.9
316.02295	100.0
317.02890	18.5
318.03391	1.2
587.33472	1.2
609.15186	1.9
640.03754	1.2
642.07318	1.1
753.18835	3.9
771.20087	94.1
772.20349	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	767.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
60.99192	14.7
69.03348	0.3
70.79938	0.1
71.01254	0.5
72.99190	0.8
73.85144	0.1
75.00761	0.3
75.03069	0.2
76.88953	0.2
79.51215	0.1
81.03356	0.3
83.01284	0.2
83.04916	1.0
85.02873	0.3
87.00782	1.0
88.00303	2.7
88.98700	100.0
89.02332	4.8
89.99044	0.9
90.01865	0.5
93.03344	0.4
96.95916	0.3
97.02846	0.2
99.00758	0.2
101.02338	0.2
113.02333	0.2
119.03442	0.2
125.02336	0.2
125.11812	0.2
129.88692	0.2
130.34683	0.2
135.04419	0.2
155.03279	0.1
168.41327	0.1
173.04547	0.7
191.05634	0.4
224.17755	0.3
225.16138	0.5
229.04900	0.2
240.29958	0.2
246.10864	0.2
246.92317	0.2
263.07379	0.2
297.12064	0.2
450.34579	0.2
451.33173	0.4
565.36633	0.2
595.42780	0.2
673.46985	0.6
675.48499	1.7
677.49603	1.1
678.50275	0.3
689.46771	0.5
691.48242	0.9
691.58710	0.2
693.49225	0.2
707.49457	0.7
708.49963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2218
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
54.11268	0.5
59.01263	1.6
59.47069	0.5
65.00210	1.0
71.01269	0.6
71.58199	0.6
71.58665	0.9
83.24733	0.5
85.21989	0.5
91.11010	0.6
93.03411	0.6
107.01305	1.6
108.02075	0.7
135.04529	0.7
143.04910	0.7
145.02831	0.8
151.00323	7.0
152.01083	0.8
159.04457	0.6
161.02299	1.1
169.01424	1.5
171.04446	1.0
171.98598	0.6
173.04527	1.4
178.99838	2.2
183.04449	2.5
185.02345	0.7
187.03947	0.9
199.03963	7.0
201.01987	0.9
203.03391	0.8
215.01617	0.7
215.03448	3.1
227.03487	7.7
228.04027	1.0
242.02289	5.5
243.03012	33.9
244.03458	2.6
251.09213	0.6
255.03023	14.6
256.03421	1.5
257.04544	4.3
270.01700	6.0
271.02533	43.1
272.02994	4.9
285.04114	8.8
286.04752	3.9
287.05603	2.4
299.02023	79.9
300.02679	19.9
301.03235	2.3
313.03625	1.5
314.04385	72.8
315.05078	30.2
316.05469	2.2
368.05106	0.6
392.71997	0.7
483.42606	0.6
514.01599	0.7
596.84357	0.6
614.42780	0.7
769.22107	100.0
770.22449	22.2
770.36456	1.3
770.52197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.2
58.00475	1.5
59.01265	20.8
61.98716	55.0
69.03342	1.8
71.01273	17.5
71.30080	0.6
71.59593	1.4
72.99196	1.5
73.02821	3.5
77.21724	0.7
78.95789	1.2
80.96429	0.9
81.03354	0.9
83.01273	2.3
83.04912	1.4
85.02838	4.7
87.00774	2.9
88.98718	0.9
89.02338	14.1
93.03367	1.3
95.01302	1.7
96.95918	2.8
97.02865	3.5
97.06487	0.8
99.00784	1.4
101.02345	12.7
109.02866	0.8
110.35801	0.7
111.08070	9.9
113.02346	6.7
119.03402	3.6
125.02357	4.9
131.03447	0.7
132.02129	1.0
133.02869	2.5
137.02391	0.7
139.03856	1.0
141.01945	0.9
143.03416	2.6
145.02863	1.0
160.01604	2.0
161.02359	1.1
161.04489	3.1
163.03960	0.9
169.12297	5.1
171.10291	0.8
173.04593	3.1
175.03827	1.5
179.03297	0.9
179.05557	3.9
179.10686	0.9
181.12389	1.1
183.13870	1.2
187.07593	1.9
191.05571	0.9
193.81932	0.7
195.13872	0.9
197.11810	45.0
198.12097	2.8
199.13353	2.4
209.11882	1.1
211.13367	7.8
215.07094	1.7
221.06709	1.0
225.14946	4.3
227.12885	2.0
235.08240	3.7
253.09329	1.4
257.08334	3.6
263.20224	2.7
273.18744	0.9
287.07816	0.9
291.19711	14.0
292.19937	1.3
305.08826	1.0
309.20776	100.0
310.21158	10.0
321.64056	0.7
324.67560	0.8
369.00452	0.7
397.13589	30.5
398.13812	2.8
415.14645	43.1
416.14825	3.9
670.17737	2.7
707.34845	5.9
708.35443	2.3
767.33295	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	767.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
58.00478	0.5
59.01266	8.9
61.98718	100.0
67.77528	0.3
69.03333	1.4
70.65365	0.6
70.65738	0.6
71.01271	6.8
72.99203	0.7
73.02839	1.2
73.67964	0.2
78.95789	0.5
80.96410	0.5
81.03366	0.5
83.01281	0.7
83.04935	0.4
85.02844	1.8
87.00771	1.5
88.98684	0.6
89.02337	5.8
90.39010	0.3
93.03352	0.5
95.01288	0.9
95.04932	0.3
96.95912	0.8
97.02845	2.8
99.00780	0.7
101.02348	4.8
111.08057	1.1
113.02353	2.5
119.03417	1.2
119.08591	0.3
123.04466	0.4
123.08107	0.5
125.02352	1.8
125.09639	0.6
131.03468	0.3
132.02066	0.4
133.02892	0.7
135.04460	0.4
137.02347	0.4
137.09644	1.2
139.69553	0.3
143.03439	0.6
145.02832	0.3
153.99641	0.3
155.42126	0.3
160.01540	0.6
161.02373	0.8
161.04491	1.0
163.11194	0.7
165.12825	1.9
169.12274	0.4
171.10214	3.1
172.10538	0.3
173.04532	0.6
177.01927	0.3
178.02673	0.3
179.03435	0.3
179.05534	1.2
181.12244	0.3
185.00945	0.3
185.11765	0.6
187.07643	0.8
191.05589	0.3
193.12337	0.4
193.16098	0.3
197.11781	3.0
201.09229	0.3
207.10112	0.3
209.11882	1.8
210.12157	0.6
211.13435	1.2
219.08220	0.4
221.06540	0.4
222.52013	0.2
223.13350	0.4
227.12915	0.9
229.08705	0.6
235.08318	1.4
247.20624	1.7
253.09268	0.5
257.08243	2.3
273.18582	0.7
287.07657	0.5
291.19739	10.3
292.20093	1.2
305.08862	0.5
309.20773	36.8
310.21115	3.8
323.09964	0.5
369.87656	0.3
397.13580	16.0
398.13913	1.1
415.14673	14.8
415.19025	0.2
416.14850	1.5
416.88284	0.3
670.17688	1.3
707.35156	3.1
708.35425	0.8
767.34344	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	765.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.7
57.03326	3.8
58.00463	3.2
59.01266	42.2
61.98717	21.3
66.87840	1.4
69.03339	4.2
71.01266	37.1
71.59358	1.9
72.99197	4.5
73.02838	6.6
75.00758	3.8
77.54256	1.6
80.02550	2.1
80.96400	1.6
81.03348	3.6
83.01277	4.8
83.04906	2.8
85.02835	10.5
85.99967	1.3
87.00761	8.1
88.98696	2.7
89.02344	28.9
89.02850	3.0
93.03372	3.3
95.01283	2.2
95.04929	5.6
96.95908	5.2
97.02847	8.2
97.06467	4.0
99.00764	4.1
101.02345	27.5
109.06499	4.2
111.04407	3.6
113.02347	14.4
113.05991	3.9
119.03383	10.6
123.04414	4.1
123.08123	1.9
125.02376	8.5
125.09643	6.5
134.03622	2.8
135.04413	2.7
137.09625	4.0
143.03424	5.5
153.14455	1.7
161.04471	5.8
163.11234	11.8
165.12758	1.9
171.10242	3.6
173.04533	3.3
179.05571	8.1
181.12292	3.0
185.11833	8.2
191.10818	2.1
191.14380	8.0
197.11786	2.1
207.10222	6.4
209.11813	40.2
210.12053	2.8
211.13353	7.1
212.13544	1.9
225.11313	4.6
227.12869	3.2
235.08273	10.6
236.41347	1.6
237.11349	2.2
245.19106	18.6
253.09293	4.3
263.07635	2.6
263.20215	1.9
271.17032	1.6
287.07608	2.3
289.18149	99.9
290.18561	12.5
307.19217	100.0
308.19476	8.6
323.09808	2.7
397.13586	78.0
398.13986	8.5
415.09070	2.8
415.14636	56.0
416.15054	5.1
445.20993	2.5
687.32239	3.2
700.89117	1.9
705.33563	8.5
765.35278	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	767.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.4
60.99191	16.6
61.98711	0.4
71.01258	0.4
82.95325	0.2
87.00774	2.3
88.00294	2.8
88.01111	0.2
88.98698	100.0
89.02334	14.0
89.99046	1.1
101.02339	0.3
107.67371	0.2
148.90968	0.2
157.86615	0.2
178.57747	0.2
219.53783	0.2
229.25012	0.3
279.23315	0.7
288.08621	0.2
323.44287	0.2
397.13513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.1
59.01264	36.4
60.24195	1.6
61.98714	30.6
65.77204	1.7
69.03352	2.4
71.01270	33.9
71.57697	3.2
72.99198	8.4
73.02821	5.2
73.15713	1.7
75.00768	2.8
75.55997	1.8
78.95798	2.3
81.03352	3.2
83.01270	4.9
85.02836	8.3
87.00780	5.0
88.53844	1.8
88.98684	3.4
89.02332	24.1
89.44041	1.8
93.03371	2.1
95.01272	3.1
95.04938	2.8
96.95924	2.0
97.02843	7.6
97.06477	6.4
99.00780	2.6
101.02349	23.8
113.02348	13.1
119.03416	7.7
121.06503	3.3
123.04433	4.5
123.09724	1.8
125.02341	6.5
125.09639	6.6
135.08139	2.2
137.09657	3.3
143.03493	4.0
161.04550	5.1
163.07440	1.7
163.11247	8.9
167.31589	1.7
171.10272	2.7
179.05576	5.4
181.12270	2.4
185.11829	7.5
191.05637	1.9
191.14386	7.9
207.10252	5.3
209.11797	26.2
211.13269	2.9
221.06563	2.2
225.11258	2.8
227.12823	2.7
235.08180	6.8
237.11282	2.8
245.19106	17.7
246.19385	2.7
253.09259	3.8
263.20221	3.1
271.17044	4.3
289.18149	72.2
290.18436	8.3
307.19211	100.0
308.19540	10.7
397.13565	61.9
398.13855	6.4
415.14700	47.8
416.15097	3.7
602.38837	1.8
607.26147	3.3
624.07904	2.0
624.36597	1.8
636.74182	2.0
705.33801	6.5
706.33881	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	763.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83865	0.2
59.01262	0.8
61.98715	1.2
66.56772	0.2
69.63134	1.2
71.01262	0.4
84.00836	0.2
84.94993	0.6
85.00325	0.7
85.02818	0.3
86.02396	0.3
87.00772	100.0
88.00300	6.9
88.01088	1.6
89.02348	0.3
91.02163	0.2
101.02364	0.3
113.02338	0.2
165.09470	0.2
235.23122	0.2
277.21817	1.2
353.90750	0.2
397.13544	2.6
415.14865	0.9
429.43683	0.2
514.90576	0.2
724.52362	0.2
731.64642	0.2
762.50269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47977	0.2
59.01262	1.5
60.99192	16.7
61.98712	0.4
65.93058	0.1
70.30274	0.2
71.01267	0.9
71.58244	0.3
87.00772	8.7
88.00301	5.2
88.01099	1.3
88.98702	100.0
89.02335	48.5
89.46756	0.1
89.99026	1.3
90.02686	0.7
97.02852	0.2
101.02367	0.5
113.02326	0.3
119.03390	0.2
125.02370	0.2
152.26746	0.1
211.13382	0.2
235.08174	0.3
235.68115	0.2
277.21817	1.9
278.22275	0.3
305.08795	0.2
397.13577	3.6
398.14063	0.4
415.14609	1.4
572.38507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.5
58.00480	3.0
59.01266	36.8
61.98714	74.5
69.03349	3.0
70.87550	3.3
71.01267	29.6
72.99210	2.1
73.02837	3.8
75.00771	2.0
78.89126	0.9
81.03340	2.9
83.01287	5.6
83.04929	2.6
85.02837	6.8
87.00768	6.5
88.98699	1.6
89.02337	27.4
93.03359	1.3
95.01280	2.6
95.04943	1.5
96.95921	1.6
97.02837	6.1
97.06483	4.4
99.00781	1.6
101.01685	1.2
101.02337	25.6
105.98858	1.2
109.06497	1.6
111.04464	2.2
113.02358	12.2
119.03418	8.5
121.06506	1.4
123.04442	4.2
123.08061	2.5
125.02376	9.1
125.09682	6.5
135.04451	1.0
135.08057	1.4
137.09641	4.3
141.01921	1.3
141.12773	1.6
143.03435	3.5
147.11684	1.4
149.04468	1.0
149.06117	1.2
151.11220	1.8
161.04500	6.3
161.09698	1.1
163.11230	8.9
165.12746	4.4
167.10641	1.3
171.10178	1.8
177.12770	1.8
179.05595	6.4
181.12323	3.6
183.13939	1.4
185.11807	7.8
191.05566	1.9
191.14394	8.3
207.10277	4.4
209.11810	29.6
210.12199	2.4
211.13394	3.3
217.06854	1.3
221.06596	2.7
225.11430	4.7
227.12923	3.0
228.68550	1.1
235.08195	5.9
237.11295	2.8
241.75089	1.1
245.19148	17.9
251.12898	1.4
253.09344	3.2
263.07834	2.1
263.20218	5.0
271.17136	2.5
281.21359	1.1
287.07651	1.9
289.18161	75.3
290.18521	5.4
295.22839	1.7
305.08838	1.8
307.19220	100.0
308.19577	8.2
323.10010	1.5
397.13586	56.8
398.14056	5.1
415.14645	52.4
416.14896	4.3
607.26117	6.2
636.03204	1.1
687.32501	2.0
705.33612	11.8
706.34149	2.8
726.89374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.7
59.85055	0.1
60.99191	16.9
61.98713	1.1
71.01278	0.5
71.59077	0.3
87.00774	3.1
87.12055	0.1
88.00297	3.6
88.01118	0.4
88.98699	100.0
89.02335	17.6
89.99043	0.7
101.02332	0.2
125.02357	0.3
128.01521	0.1
131.69791	0.1
153.54578	0.2
175.99980	0.2
205.81529	0.1
277.21704	0.8
309.78000	0.2
326.96289	0.1
328.53250	0.2
333.34033	0.1
383.34906	0.1
397.13614	1.4
398.14322	0.2
415.14615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59061	1.0
57.03320	1.7
59.01273	9.0
59.46585	0.9
60.51471	0.8
61.98717	4.3
68.50207	0.9
69.03342	1.8
71.01266	5.2
71.57782	1.0
72.99209	1.3
73.02821	1.4
78.95805	1.4
83.04941	1.2
85.02843	3.2
89.02350	2.1
93.03338	2.9
95.01315	4.7
96.95901	5.6
97.02884	1.6
99.00738	1.0
101.02352	3.5
108.02029	1.4
109.02868	0.9
111.00742	1.0
113.02353	4.1
121.02868	2.6
123.00808	20.7
123.04391	1.9
124.01608	1.3
125.02283	1.2
134.03606	1.5
135.04457	2.4
137.02361	7.1
137.06038	2.0
138.03159	19.7
138.04224	0.7
139.00351	0.9
139.03909	2.9
147.00934	0.9
151.00366	1.0
151.03912	3.4
153.01878	2.7
153.05504	9.4
155.03468	2.9
160.01726	0.9
161.02332	2.1
161.04472	2.3
162.03108	1.9
163.00314	0.9
164.01103	1.4
165.01889	4.8
166.99809	28.8
171.10240	1.4
173.04520	5.0
177.05579	2.0
179.03459	15.2
179.06944	1.5
180.04118	3.1
181.01404	17.1
181.04987	2.2
182.02164	87.3
183.02542	3.3
191.05508	2.6
194.05775	2.9
195.06517	1.0
196.03740	13.7
197.04530	100.0
198.04871	4.6
201.11320	3.3
207.10172	2.0
209.11815	10.2
210.12143	1.8
211.06076	17.9
212.06493	1.0
213.05598	2.4
223.09705	1.6
223.75172	0.9
224.03333	5.7
225.11273	1.1
227.12868	2.7
239.05617	26.6
241.05077	1.2
241.51967	0.9
252.04341	1.0
269.04584	2.5
273.07825	3.0
282.08896	0.9
301.07224	15.1
305.06647	1.2
316.09503	9.2
331.11960	8.8
360.08658	3.2
373.25842	1.8
375.10928	21.0
375.27499	2.0
376.11264	2.0
387.14523	3.3
415.69919	0.9
417.11951	5.7
445.20856	1.4
461.74390	1.1
481.04852	1.1
599.21417	89.4
600.21753	14.5
641.21985	4.3
717.30743	2.0
761.25140	11.0
762.26825	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	762.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16822	0.9
56.26220	0.9
59.01266	21.3
61.74432	0.9
61.98699	2.8
69.03346	1.5
70.95051	2.3
71.01257	1.1
78.95795	31.6
85.02857	1.8
92.33044	0.9
96.09633	1.0
96.96859	1.1
97.02847	6.4
99.00774	1.6
109.06483	1.8
110.03647	1.1
111.04402	1.2
111.45537	1.1
123.08070	1.6
125.09615	2.4
135.08131	1.3
136.05186	1.1
140.01065	1.5
142.02663	2.1
152.99570	5.4
157.40277	0.9
161.09659	1.2
163.11235	10.6
168.04283	7.9
171.10199	5.2
177.12781	1.9
179.10713	2.5
181.12302	17.4
185.11835	1.6
195.13864	15.9
203.12885	4.1
207.10245	45.7
208.10611	3.1
211.13367	4.1
221.11859	7.0
224.06973	5.8
225.11324	61.4
226.11584	2.6
229.14375	1.8
239.12910	62.1
240.13176	3.5
255.23338	100.0
256.23648	7.0
277.21643	2.1
294.63602	1.1
327.21777	4.3
462.29791	1.4
480.31244	6.8
481.31454	1.1
643.36279	3.0
688.42017	45.4
689.42236	8.3
702.43719	35.4
703.43884	7.5
762.49615	12.7
763.50067	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	760.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
61.98714	100.0
63.34740	0.1
70.87456	0.1
70.87794	0.3
71.01280	0.2
73.02830	0.1
80.32862	0.1
81.33406	0.1
83.01308	0.1
88.98730	0.1
94.47690	0.1
96.95916	0.3
101.02373	0.2
117.03358	2.0
119.04932	0.2
121.02869	0.1
130.04730	0.1
134.03668	0.2
145.02879	5.7
146.03259	0.3
152.07118	0.1
160.01639	0.5
163.03973	0.4
173.04535	0.2
175.03929	0.6
209.11879	0.2
411.39432	0.1
428.22562	0.1
434.31696	0.1
592.10321	0.1
655.18866	0.2
697.20044	2.0
698.20728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
61.98716	100.0
62.98420	0.1
62.99143	0.1
70.34895	0.1
71.01277	0.2
71.75481	0.1
73.02837	0.1
85.02843	0.1
87.00805	0.1
88.98703	0.1
96.23434	0.1
96.95928	0.1
98.17552	0.1
101.02369	0.1
117.03365	1.0
119.04943	0.1
135.04390	0.1
137.02412	0.1
145.02885	2.9
146.03255	0.1
152.07140	0.1
163.03983	0.2
171.10275	0.1
173.04552	0.2
175.03998	0.2
190.06357	0.2
205.08670	0.1
209.11821	0.1
233.35632	0.1
239.12160	0.1
291.16559	0.1
387.14410	0.1
655.19751	0.1
697.20020	0.8
698.20258	0.2
735.54156	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	760.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.1
59.01265	0.7
61.98718	100.0
62.98427	0.2
69.03353	0.2
71.01274	0.4
73.02837	0.1
78.95798	0.2
83.01292	0.1
85.02861	0.2
87.00836	0.1
89.02327	0.2
93.03393	0.2
96.95911	0.3
99.00790	0.1
100.07531	0.1
101.02392	0.2
107.70553	0.1
114.80051	0.1
117.02569	0.2
117.03381	2.2
117.04202	0.2
119.04942	0.2
122.05836	0.1
125.02377	0.2
129.13939	0.1
135.04578	0.1
145.02893	6.7
146.03285	0.4
149.06053	0.1
163.03964	0.3
163.55707	0.1
171.10281	0.2
171.80202	0.1
173.04572	0.4
191.05638	0.1
209.11871	0.2
225.11414	0.1
408.13721	0.1
494.68307	0.1
655.19476	0.2
697.19983	2.5
698.19745	0.5
759.46808	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	759.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74175	0.6
59.01263	7.1
61.19982	0.7
61.98713	4.9
63.80880	0.7
69.03345	0.8
71.01270	3.3
71.56474	1.4
75.15469	0.7
78.95792	1.9
83.01283	1.0
87.00765	1.2
89.02346	1.9
93.16110	0.7
96.95916	0.8
97.02843	2.0
101.02336	2.2
109.69212	0.8
111.08077	2.0
113.02360	2.1
121.28149	0.7
125.09598	1.1
127.11201	2.7
137.09674	0.8
141.53781	0.7
149.33038	0.8
161.04514	1.5
165.12770	1.0
171.10222	100.0
172.10530	4.5
179.05412	0.9
191.05605	0.9
195.13901	1.0
197.11830	11.7
209.11853	4.0
211.13370	3.1
222.75020	0.7
227.12958	1.6
235.08255	4.2
247.20837	1.2
253.09337	11.3
265.98798	0.9
291.19736	19.8
292.19980	1.3
295.22696	2.9
309.20767	42.0
310.21048	4.3
407.19180	4.5
408.19940	0.9
463.30914	1.3
505.09412	0.8
527.29016	1.6
545.29993	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	760.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
61.98717	100.0
69.03342	0.2
70.65353	0.3
70.65737	0.3
71.01274	0.7
72.99200	0.2
73.02859	0.2
75.06421	0.2
78.95786	0.3
79.36650	0.1
83.01278	0.2
85.02863	0.2
87.00768	0.2
93.03372	0.3
95.01272	0.2
96.95934	1.0
97.02879	0.2
101.02375	0.4
113.02369	0.2
117.03374	6.1
118.03732	0.2
119.03449	0.2
119.04960	0.6
125.02405	0.2
125.68983	0.2
134.03734	0.3
137.02412	0.2
145.02890	16.2
146.03200	0.7
146.47820	0.2
149.02425	0.2
149.06044	0.4
150.03180	0.4
151.03964	0.2
152.01038	0.3
152.07088	0.2
152.99612	0.2
160.01682	0.1
160.05251	0.2
163.03915	0.8
164.04694	0.2
169.04877	0.2
171.10219	0.2
173.04556	0.5
175.04012	0.8
179.07066	0.2
190.06450	0.4
191.05556	0.4
191.07153	0.2
193.05096	0.2
205.08727	0.6
207.06729	0.3
209.11760	0.3
232.55884	0.2
357.13928	0.3
383.11636	0.2
387.15115	0.2
537.21179	0.2
637.17798	0.3
655.19165	0.6
697.20007	5.7
698.20044	0.9
759.30005	0.2
760.31342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.44
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
58.00468	0.6
59.01265	10.7
68.99708	0.4
69.03317	0.3
70.09850	1.5
71.01270	100.0
71.04897	0.4
72.01595	1.5
72.99184	0.5
73.02837	2.2
78.95792	1.2
79.62708	0.3
81.03355	0.6
83.01264	0.8
83.04903	1.0
84.02008	0.3
84.51844	0.3
85.02826	2.3
87.00751	1.5
89.02341	3.6
95.01243	0.5
95.04892	0.4
97.02875	1.8
97.06470	0.7
98.20464	0.4
99.00777	1.7
101.02361	5.0
109.06509	8.4
109.07267	0.4
110.03680	0.5
113.02352	2.9
119.03423	0.9
121.06522	0.5
123.08037	0.6
125.06010	0.7
125.09656	3.3
127.11224	3.0
135.08098	1.1
137.09633	1.3
141.01892	0.3
143.03429	0.6
143.10637	0.4
145.04947	0.3
151.07545	0.4
153.09163	1.2
155.10745	1.7
161.04543	1.6
161.09645	0.7
163.11238	5.3
164.11555	0.5
165.09166	0.7
171.10225	98.8
172.10559	5.4
179.05579	0.9
181.08652	1.8
181.12308	2.5
183.10100	0.4
185.11781	1.0
189.09154	0.6
199.09740	20.7
199.13391	2.6
200.10046	1.1
201.11308	16.2
201.13202	0.6
202.11703	0.7
207.10254	25.8
208.10626	1.5
209.11797	0.9
217.10747	0.6
225.11325	15.4
226.11685	0.9
235.08179	2.5
243.12360	2.2
247.12512	0.4
253.09322	11.1
254.09718	0.4
255.23279	0.5
257.82675	0.4
277.21780	71.1
278.22137	6.9
293.26053	0.3
407.19424	0.8
417.17505	0.4
435.18744	4.2
443.19473	0.8
461.20422	5.8
462.20959	0.6
468.53534	0.3
479.21255	1.0
695.40649	1.6
696.41443	0.5
708.44482	0.9
721.41949	4.4
722.42377	1.7
739.42609	1.2
740.43250	0.5
757.44092	9.6
758.44519	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	757.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00217	0.4
55.01785	0.6
58.00483	0.8
59.01265	11.3
60.40906	0.4
68.99731	0.4
69.03329	0.3
70.92501	0.6
70.92844	0.5
71.01270	98.3
72.01604	1.5
72.99208	0.6
73.02845	2.9
73.15519	0.3
78.95784	0.7
81.03341	0.6
83.01300	0.7
83.04921	1.2
85.02839	1.6
85.28194	0.3
87.00768	1.0
89.02341	4.0
95.04916	0.4
97.02833	1.3
97.06496	0.7
99.00781	1.4
101.02347	4.8
103.03985	0.4
104.32568	0.4
105.84563	0.4
106.74586	0.4
109.05810	0.6
109.06506	8.4
110.03692	0.5
113.02356	2.3
119.03413	0.8
121.16000	0.4
123.04487	0.4
123.08076	0.4
125.05988	0.7
125.09640	3.0
127.11204	3.5
133.04955	0.4
133.90578	0.3
135.08112	1.3
137.09642	1.2
143.03389	0.7
151.07568	0.5
153.09143	1.0
155.10736	1.6
161.04510	1.6
161.09717	0.6
163.11238	4.1
165.09222	0.5
171.10223	100.0
172.10577	5.3
179.05621	0.8
181.08638	1.6
181.12296	1.6
185.11829	0.9
189.09148	0.5
197.11873	0.5
199.09732	20.2
199.13399	1.5
200.10100	1.1
201.11310	17.0
202.11629	0.7
207.10252	23.9
208.10638	1.7
215.12971	0.5
217.10706	0.5
225.11322	14.5
226.11691	0.8
235.08235	2.7
241.66202	0.3
243.12463	2.0
253.09332	12.1
254.09714	0.6
277.21777	72.1
278.22134	8.4
280.32632	0.4
407.19070	0.7
415.53067	0.4
417.17725	0.8
423.63010	0.4
435.18741	4.5
436.19244	0.5
441.29898	0.5
443.19315	1.1
461.14429	0.6
461.20425	5.4
479.21619	0.7
485.32986	0.6
695.40027	1.4
721.41821	3.9
722.42352	1.5
739.42914	1.4
740.43054	0.5
757.43927	9.7
758.43915	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	757.44
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
58.00468	0.6
59.01265	10.7
68.99708	0.4
69.03317	0.3
70.09850	1.5
71.01270	100.0
71.04897	0.4
72.01595	1.5
72.99184	0.5
73.02837	2.2
78.95792	1.2
79.62708	0.3
81.03355	0.6
83.01264	0.8
83.04903	1.0
84.02008	0.3
84.51844	0.3
85.02826	2.3
87.00751	1.5
89.02341	3.6
95.01243	0.5
95.04892	0.4
97.02875	1.8
97.06470	0.7
98.20464	0.4
99.00777	1.7
101.02361	5.0
109.06509	8.4
109.07267	0.4
110.03680	0.5
113.02352	2.9
119.03423	0.9
121.06522	0.5
123.08037	0.6
125.06010	0.7
125.09656	3.3
127.11224	3.0
135.08098	1.1
137.09633	1.3
141.01892	0.3
143.03429	0.6
143.10637	0.4
145.04947	0.3
151.07545	0.4
153.09163	1.2
155.10745	1.7
161.04543	1.6
161.09645	0.7
163.11238	5.3
164.11555	0.5
165.09166	0.7
171.10225	98.8
172.10559	5.4
179.05579	0.9
181.08652	1.8
181.12308	2.5
183.10100	0.4
185.11781	1.0
189.09154	0.6
199.09740	20.7
199.13391	2.6
200.10046	1.1
201.11308	16.2
201.13202	0.6
202.11703	0.7
207.10254	25.8
208.10626	1.5
209.11797	0.9
217.10747	0.6
225.11325	15.4
226.11685	0.9
235.08179	2.5
243.12360	2.2
247.12512	0.4
253.09322	11.1
254.09718	0.4
255.23279	0.5
257.82675	0.4
277.21780	71.1
278.22137	6.9
293.26053	0.3
407.19424	0.8
417.17505	0.4
435.18744	4.2
443.19473	0.8
461.20422	5.8
462.20959	0.6
468.53534	0.3
479.21255	1.0
695.40649	1.6
696.41443	0.5
708.44482	0.9
721.41949	4.4
722.42377	1.7
739.42609	1.2
740.43250	0.5
757.44092	9.6
758.44519	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	757.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00198	0.7
57.03335	0.6
58.00483	0.5
58.61159	0.3
59.01261	7.3
59.78910	0.3
61.98728	0.3
68.99709	0.6
70.87865	0.8
71.01268	100.0
72.01596	1.8
73.02834	1.3
78.95775	0.5
81.03342	0.3
83.01276	0.5
83.04926	0.5
85.02840	1.1
87.00794	0.8
89.02341	2.4
95.01312	0.3
95.04946	0.3
97.02852	0.7
99.00770	1.4
101.02345	3.4
109.06502	4.4
113.02348	1.6
119.03423	0.5
121.06523	0.5
123.08134	0.4
125.09624	2.8
127.11208	2.7
129.01802	0.3
133.85138	0.3
135.08035	0.6
136.05122	0.3
137.09653	0.4
143.03503	0.4
145.04938	0.3
152.99557	0.3
153.09160	0.8
155.10696	0.9
161.04488	1.4
161.09586	0.4
163.11226	2.8
171.10219	98.4
172.10558	4.6
179.05516	0.5
181.08669	1.1
181.12282	1.4
185.11763	0.5
189.09158	0.4
197.11842	0.3
199.09732	11.4
199.13380	1.2
200.10043	0.4
201.11305	12.3
202.11662	0.6
207.10239	14.6
208.10538	1.1
209.11804	0.3
215.12869	0.9
217.14458	0.4
225.11317	10.4
226.11679	0.5
235.08261	1.7
243.12418	1.3
253.09325	10.1
254.09654	0.5
277.21771	60.0
278.22144	6.5
279.22940	0.3
407.19089	0.5
417.17719	0.4
434.62183	0.3
435.18829	2.4
437.20361	0.3
443.19547	0.6
461.20496	3.4
462.20743	0.5
479.21381	0.4
579.61377	0.3
695.39490	0.3
721.41907	2.5
722.41980	1.1
739.42554	0.9
757.43890	7.5
758.44537	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	757.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	0.5
55.01784	0.4
55.35257	0.2
57.03318	0.3
58.00470	0.4
59.01263	6.7
68.99706	0.5
70.01385	1.2
71.01268	100.0
72.01615	1.3
72.99189	0.3
73.02839	1.2
75.40807	0.2
78.95799	0.8
81.03343	0.5
82.68901	0.3
83.01257	0.4
83.04910	0.3
85.02850	1.2
87.00771	0.9
89.02335	2.6
91.54313	0.3
94.47367	0.2
97.02853	0.8
97.06456	0.4
99.00771	0.7
101.02336	3.7
109.06502	4.5
111.00776	0.3
113.02374	2.5
114.93247	0.2
119.03404	0.7
125.09628	1.8
127.11222	2.8
131.03362	0.4
135.08043	0.6
137.09685	0.7
142.02623	0.3
143.10661	0.4
145.04970	0.5
152.99486	0.4
153.09146	0.8
155.10744	0.8
161.04541	1.3
161.09645	0.4
163.11229	2.4
171.10219	82.9
172.10562	4.9
179.05602	0.4
181.08647	0.9
181.12320	1.7
182.71791	0.3
185.11794	0.3
189.09225	0.4
199.09740	9.8
199.11636	0.5
199.13364	1.0
200.10071	0.5
201.11281	8.0
207.10233	11.5
208.10481	0.6
209.11752	0.3
215.12859	0.4
217.14378	0.4
225.11313	8.5
226.11580	0.4
235.08255	3.0
243.12349	1.3
253.09315	9.0
254.09816	0.4
257.67508	0.3
259.20752	0.3
277.21774	70.4
278.22107	7.1
371.50140	0.3
407.19382	0.4
435.18909	1.6
443.19342	0.9
461.20438	2.4
462.20627	0.3
695.40637	0.7
721.41858	3.1
722.42480	0.7
739.42987	0.6
757.43872	6.6
758.44177	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	757.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66545	0.7
59.01265	26.0
61.98715	1.6
71.01257	4.5
71.04890	0.9
73.02845	1.4
75.43092	0.7
78.95777	3.1
82.68539	0.7
83.01281	0.9
85.02853	2.0
87.00768	7.1
88.01111	1.4
89.02355	1.9
97.06528	1.1
99.00807	3.9
101.02346	4.4
108.15430	0.7
113.02357	2.2
119.03407	1.1
125.09641	4.1
127.11189	3.0
148.15010	0.8
152.99545	0.8
153.80797	0.7
155.10696	1.0
159.83170	0.8
161.04524	1.4
163.11200	3.2
169.12294	0.8
171.10190	4.1
172.10678	0.9
181.12291	3.9
187.09764	0.9
197.11804	1.2
199.09731	1.1
199.13382	6.1
201.11304	41.5
202.11664	1.8
207.10271	7.5
215.12793	1.8
216.13104	1.0
225.11313	15.7
229.34015	1.0
235.08235	3.9
243.12331	4.0
253.09294	5.0
277.21780	78.8
278.22122	9.9
289.11774	0.7
342.52356	0.8
355.70248	0.7
461.20496	1.0
555.26422	0.8
721.42303	3.9
722.42847	1.3
739.42743	8.2
740.43335	2.1
757.43890	100.0
758.44275	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.2
58.00457	0.6
59.01267	30.1
61.98712	1.3
70.32835	0.5
71.01273	5.7
71.26137	1.1
73.02854	0.6
78.95799	1.5
83.04948	0.5
85.02844	1.5
87.00788	1.8
89.02364	3.5
89.02823	0.6
97.02840	1.2
97.06482	0.8
99.00783	5.6
101.02348	4.0
111.67824	0.5
113.02362	2.6
116.86814	0.5
123.08118	0.6
125.09626	4.5
127.11222	5.4
134.50751	0.5
137.09662	0.7
139.11179	0.9
152.99458	0.6
153.09192	0.5
153.12776	0.7
155.10667	2.4
161.04482	1.0
163.11224	3.4
165.09154	2.4
166.09573	0.6
168.14876	0.5
171.10239	2.2
179.05597	0.8
181.12306	8.0
183.10172	0.9
184.36429	0.6
195.63231	0.5
197.11778	0.7
199.09720	1.9
199.13419	9.8
200.13702	0.6
201.11310	78.9
202.11620	3.8
207.10249	10.1
208.10625	0.7
215.12926	0.8
217.14471	2.6
223.55907	0.5
225.11336	25.2
226.11673	2.1
243.12431	8.7
244.12694	0.7
253.09282	7.3
277.21790	39.6
278.22137	4.4
293.21460	0.8
295.22818	0.6
342.37424	0.6
396.52948	0.7
419.19467	0.7
437.20496	0.9
442.04291	0.5
443.19049	0.8
461.20398	5.1
462.19958	0.7
479.21497	1.3
497.22559	1.0
721.42151	4.1
722.42511	0.8
739.43073	7.7
740.43378	1.8
757.43988	100.0
758.44312	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	755.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	11.8
60.16615	0.7
61.98718	0.9
71.01283	3.0
73.02850	0.7
78.95808	1.7
85.02844	1.0
87.00770	11.5
88.00304	2.8
89.02354	2.2
101.02364	2.4
113.02346	1.2
127.11217	0.8
161.04489	1.7
165.89490	0.7
169.12318	1.2
171.10184	0.8
176.20807	0.7
181.12296	4.3
197.11723	0.8
199.13379	100.0
200.13705	7.1
201.11388	0.7
229.43669	1.1
235.08208	5.5
240.05276	0.8
253.09343	16.6
277.21777	95.7
278.22171	8.5
297.45163	0.8
435.22400	3.1
459.34799	4.9
460.35599	0.9
513.30420	1.6
755.40747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98715	7.6
62.92863	6.5
69.94910	14.4
69.95330	18.0
71.01270	12.4
78.95823	6.6
85.35530	6.1
88.98717	14.6
153.36380	5.8
166.26584	5.9
207.10233	14.2
225.11322	36.9
255.23444	7.7
277.21790	67.7
661.57159	7.7
721.41779	25.0
722.41864	7.4
757.39630	100.0
758.40399	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	755.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73377	0.7
59.01264	3.6
61.98716	3.0
65.50222	0.6
71.01263	5.3
71.56892	1.0
72.99208	1.1
73.02824	1.4
78.95815	1.1
87.00773	100.0
88.01119	1.0
88.88404	0.8
89.02328	1.1
96.95900	3.8
98.90162	0.7
101.02364	1.4
107.11099	0.6
108.64217	0.7
113.02336	1.0
114.16996	0.7
169.12239	3.6
171.10211	14.8
172.10558	1.1
179.34842	0.7
197.11821	12.9
201.11392	0.8
207.33974	0.7
209.11884	0.8
215.12866	11.0
235.08170	1.0
253.09340	2.5
277.21786	21.5
278.22125	1.9
293.21454	0.8
737.41418	4.4
755.42407	34.0
756.42786	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	755.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.8
61.98714	5.8
63.96631	0.7
69.57481	3.5
69.57886	1.9
70.94139	0.6
71.01265	5.3
72.99187	2.6
73.02858	1.2
73.40559	0.8
75.00769	1.7
78.95787	2.3
79.95641	1.3
83.01271	0.9
85.02843	1.2
87.00772	100.0
88.01115	1.7
89.02316	1.7
96.95906	8.7
98.19835	1.5
101.02347	3.0
113.02334	1.7
119.37763	0.7
125.09686	1.1
127.11198	0.9
150.54007	0.8
153.09209	0.8
161.04506	1.1
161.74968	0.8
169.12343	3.9
171.10229	28.1
197.11823	25.6
198.12050	1.1
201.11385	0.9
208.68571	0.8
209.11896	1.3
213.11293	1.1
215.12871	20.3
216.13245	1.7
235.08174	1.4
253.09282	4.9
277.21790	31.2
278.22095	3.4
407.19073	0.9
435.47540	0.8
451.22006	0.9
477.20227	1.2
508.79355	0.9
737.41473	4.6
738.41400	1.3
755.42340	48.7
756.42792	13.4
780.16595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28306	3.1
59.01249	14.9
61.98714	23.0
62.27057	3.4
63.98562	3.1
69.94896	17.9
71.01270	9.0
74.42989	3.5
78.91725	3.6
78.95800	10.7
83.56430	3.3
88.19653	3.3
89.02379	3.2
101.02361	3.2
104.71040	3.2
130.50574	3.4
195.60190	3.4
215.51936	3.3
228.75777	3.5
272.02344	3.4
277.21710	4.4
448.78488	3.2
482.08835	3.6
517.23724	3.8
721.41791	38.5
722.42029	5.4
757.39417	100.0
758.40540	24.7
773.57404	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	755.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77854	1.0
53.95955	1.2
54.48304	1.0
57.46456	1.0
59.01265	7.4
61.98709	4.7
70.74734	3.0
71.01265	7.8
72.99181	4.7
73.02829	1.2
73.74333	1.1
75.00779	3.1
78.95786	4.7
85.02878	1.8
87.00771	100.0
88.01079	1.6
89.02316	2.5
101.02345	3.5
113.02306	1.5
115.37186	1.4
125.09663	1.7
127.11205	1.1
150.55719	1.2
152.99551	2.7
153.09091	1.4
155.10745	1.9
169.12297	2.6
171.10216	29.9
172.10541	1.3
173.04523	2.6
185.11787	2.6
191.05666	1.2
197.11815	23.4
199.09708	1.3
201.11186	2.4
207.37193	1.2
209.11668	1.5
215.12885	40.6
216.13205	2.7
241.10898	1.4
253.09375	6.2
264.45224	1.3
277.21771	33.6
278.22098	3.6
281.13303	1.2
293.21210	2.5
309.20825	1.4
418.55798	1.4
445.20172	1.9
480.47430	1.3
737.41211	2.9
755.42395	90.7
756.42712	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	755.461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73058	0.7
59.01266	11.2
59.26082	0.6
66.30894	0.6
70.74016	2.2
71.01257	2.7
78.95787	1.4
80.96431	0.8
85.02843	0.9
85.52626	0.7
87.00779	1.7
89.02343	1.5
97.02895	0.7
101.02370	1.7
113.02307	1.6
119.03404	0.8
144.56157	0.8
150.70828	0.6
161.04503	1.1
163.11186	0.8
169.12297	2.3
179.05717	0.9
181.12289	8.7
199.13380	100.0
200.13765	7.1
201.11337	0.8
209.11800	1.0
235.08290	1.2
253.09331	21.6
254.09676	1.4
255.23247	1.6
277.21796	72.2
278.22110	7.3
435.22607	1.2
459.34937	13.7
460.35266	3.1
483.75711	0.7
755.41626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2056
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.01252	0.9
65.00214	1.2
69.08599	0.7
71.51655	1.2
93.03359	2.0
107.01282	1.3
109.02814	0.7
117.03337	1.0
151.00301	2.7
163.00281	0.8
171.04468	0.7
173.04503	2.2
183.04414	1.4
185.06035	1.1
187.04001	0.8
191.05539	1.6
211.03935	2.2
213.05453	1.2
227.03499	12.1
228.03979	1.2
229.04985	3.0
243.02977	0.9
255.03021	37.2
256.03455	4.4
257.04608	2.5
283.02536	47.0
284.03302	34.0
285.04105	93.4
286.04462	7.9
327.05179	1.8
386.26315	0.8
422.66873	0.9
446.08746	3.3
447.09375	2.7
593.15222	100.0
594.15521	15.1
623.49213	0.7
754.69952	2.3
755.20673	11.2
756.20581	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	755.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	10.8
61.98709	3.3
64.37911	0.8
71.01276	2.9
73.02850	0.9
78.95810	1.4
82.75887	0.7
87.00784	1.5
88.65038	0.8
89.02338	1.6
101.02334	2.2
113.02345	1.5
151.11212	2.8
151.12401	0.8
161.04492	1.4
169.12288	100.0
170.12628	4.5
171.10208	25.2
172.10571	1.0
185.60898	0.8
196.55452	0.7
209.07585	0.8
213.11296	1.4
229.48656	1.0
235.08244	6.8
239.73688	0.7
253.09293	7.7
277.21771	75.6
278.22134	6.2
301.87970	0.8
314.31186	0.7
349.66525	0.7
405.21332	11.3
407.19687	1.1
431.19189	1.3
433.72141	0.7
449.20267	1.7
467.21750	0.7
513.30573	1.7
665.42786	1.7
668.40436	0.9
709.41608	13.8
710.42651	3.5
711.43494	1.4
727.42932	12.3
728.43909	2.1
755.20813	1.1
755.42041	7.9
756.42932	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	754.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.1
61.98715	100.0
62.98412	0.2
69.87141	0.2
69.87566	0.1
71.01276	0.2
87.00837	0.0
89.02325	0.1
96.95951	0.1
100.24339	0.0
101.02345	0.1
102.22299	0.0
142.25107	0.0
168.15659	0.0
209.11908	0.0
210.82382	0.0
235.74799	0.1
292.43814	0.0
293.21201	0.3
294.21646	0.5
294.24307	0.0
295.21817	0.3
296.22284	0.1
318.00638	0.0
397.13458	0.1
398.14319	0.1
399.14252	0.1
415.15210	0.1
416.15128	0.1
417.15381	0.2
485.15210	0.0
721.41357	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.2
61.98714	100.0
62.98414	0.2
63.99156	0.1
71.01279	0.2
71.57971	0.1
71.64238	0.1
74.02563	0.1
77.82947	0.1
77.83457	0.1
78.95779	0.1
93.03352	0.1
96.95934	0.1
101.02354	0.1
113.02361	0.1
125.95940	0.1
135.04507	0.1
150.24457	0.1
153.22548	0.1
171.10332	0.1
173.04536	0.1
189.16821	0.1
191.05669	0.1
191.67659	0.1
209.11922	0.1
293.21381	0.3
294.21606	0.4
295.22125	0.2
296.22202	0.1
299.02103	0.1
370.79965	0.1
397.13382	0.2
398.33063	0.1
399.14261	0.1
415.65958	0.1
416.15186	0.1
417.15192	0.2
525.38361	0.1
694.37671	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73645	0.1
56.83370	0.1
59.01266	0.4
61.98717	100.0
62.98425	0.2
66.52697	0.1
70.05261	0.3
71.01277	0.3
78.95843	0.2
79.95626	0.1
84.02101	0.1
89.02335	0.1
93.03380	0.1
96.95915	2.7
96.96511	0.2
98.19846	0.1
101.02398	0.1
113.02378	0.1
151.00316	0.1
171.10254	0.1
173.04512	0.2
209.11833	1.5
210.12233	0.4
225.11456	0.1
227.12878	0.1
235.08307	0.1
253.09256	0.1
289.18201	0.2
290.18466	0.2
293.21396	0.3
294.21768	0.4
295.22156	0.2
307.19281	0.3
308.19650	0.2
309.20923	0.2
398.14218	0.1
494.57028	0.1
706.34113	0.1
754.41650	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	753.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03337	1.2
59.01268	5.2
60.70090	0.4
60.90720	0.4
61.98720	1.2
66.70040	0.4
69.03349	3.5
70.97197	0.4
70.97567	1.3
71.01271	5.9
71.04906	2.2
73.02830	0.9
75.00781	3.0
81.03371	0.5
83.04914	1.1
85.02857	1.3
85.68524	0.5
87.00781	0.7
88.98722	1.7
89.02338	3.3
95.01238	0.4
95.04930	0.7
97.02856	0.7
97.06488	0.7
101.02379	3.2
108.08466	0.4
113.02362	2.0
119.03423	0.9
121.10165	0.8
123.08077	1.1
124.05357	0.4
125.09654	2.0
149.09706	0.6
151.11201	2.2
153.12779	2.0
154.10622	0.5
161.04474	1.2
161.09665	3.0
163.11240	1.0
171.10234	2.7
177.12680	0.5
179.10764	5.6
179.14320	0.4
195.13878	3.5
197.11818	78.7
197.69597	0.4
198.12192	4.9
207.10236	1.2
209.11826	7.1
222.27811	0.4
223.09818	1.8
223.13379	3.1
225.11336	1.7
227.12888	1.7
235.08290	0.6
241.10834	5.0
253.09363	3.1
275.20306	3.0
277.21823	0.7
289.18262	1.1
291.19601	0.9
293.21326	11.2
294.21628	1.5
307.19153	1.6
309.20752	1.4
383.25040	0.6
459.19150	1.0
461.20294	0.7
472.05118	0.5
477.19748	1.6
591.35229	0.6
735.39734	1.3
753.40826	100.0
754.41174	23.7
754.55188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2057
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
56.46492	0.2
63.02278	0.5
65.00228	0.6
69.89690	0.6
69.90098	0.8
83.01271	0.5
104.51412	0.3
107.01306	1.2
108.02083	1.1
121.02853	0.4
122.60558	0.2
124.01557	0.2
135.00771	0.5
148.01620	1.5
151.00304	3.8
163.00310	0.5
164.01154	0.5
178.99825	3.1
199.04016	0.7
201.01907	0.3
211.03871	0.3
215.03546	0.5
216.04260	0.5
226.02699	1.1
227.03465	1.8
228.03993	0.4
243.03015	8.5
244.03426	1.0
254.02292	1.5
255.03023	19.0
256.03445	1.7
271.02533	42.1
272.02945	3.7
273.03943	0.5
299.02036	2.7
300.02811	64.1
301.03372	9.9
302.03625	0.4
356.86975	0.3
359.15652	0.2
463.17880	0.3
489.10504	0.5
503.80774	0.3
523.69568	0.3
591.13776	0.3
684.23511	0.3
755.20551	100.0
756.20874	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92085	0.7
59.01270	7.8
60.79145	0.7
61.98710	1.6
62.68842	0.8
71.01277	5.3
71.58796	1.3
78.95788	3.3
79.95644	1.9
80.96423	2.2
83.01290	1.0
83.04899	0.9
85.02857	2.6
89.02341	3.2
96.95913	37.8
96.96885	3.4
97.06509	1.9
101.02372	4.2
113.02364	1.9
119.03427	1.0
125.02374	1.0
127.55241	0.8
136.55228	0.8
152.01140	1.0
159.11646	1.8
161.04506	1.9
177.12816	12.0
178.99802	1.3
179.05453	0.8
195.13889	74.1
196.14301	3.8
221.11826	3.2
223.13356	3.1
235.08041	1.1
239.12932	6.0
253.09291	4.0
261.00955	0.8
275.20190	2.5
293.21286	24.3
294.21643	2.7
347.55396	0.9
413.13089	0.8
452.05148	0.9
457.21075	1.2
460.58661	1.0
475.21869	2.8
640.76202	0.8
751.42877	100.0
751.80023	2.1
752.43140	26.8
761.23608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.2
59.01261	0.5
59.52861	0.4
62.09671	0.3
65.00223	1.2
68.78604	0.4
69.25484	4.2
71.01272	0.7
85.02730	0.4
85.51311	0.3
98.20509	0.7
99.04356	0.3
107.01285	1.8
108.02103	1.5
113.02379	0.4
121.02852	0.5
125.02435	0.4
148.01607	1.0
151.00317	4.1
163.00296	0.9
164.01146	0.7
169.01265	0.4
172.94583	0.4
178.99818	3.1
199.04057	0.4
200.15428	0.4
211.04092	0.5
215.91537	0.4
216.04352	0.7
226.02757	1.0
227.03491	2.0
243.03012	9.2
244.03546	0.6
254.02223	2.2
255.03029	27.6
256.03366	1.8
271.02536	57.3
272.03018	6.2
276.66663	0.5
299.02161	2.1
300.02823	100.0
301.03342	11.4
427.64301	0.4
609.14758	35.2
610.14996	4.7
651.15826	18.6
652.16156	2.9
679.21832	0.4
691.18750	5.7
692.19244	1.1
753.18933	15.0
754.19171	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	753.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34558	0.2
57.03337	1.0
59.01266	1.7
60.99184	0.6
67.01773	4.4
69.03342	1.3
69.55162	1.1
69.55559	0.3
69.75961	0.1
71.01266	3.2
81.03343	0.7
83.01270	0.2
83.04908	0.8
85.02829	1.1
86.82929	0.1
87.00768	1.0
89.02320	0.2
89.03876	0.3
93.03356	29.2
94.03686	0.9
98.20610	0.3
99.04395	0.3
101.02354	0.3
103.88684	0.1
109.02863	0.9
111.00790	0.8
111.04429	5.1
112.04774	0.2
113.02351	0.4
117.03371	2.0
127.03957	0.5
129.01785	0.2
134.03662	17.7
135.03960	0.9
137.02374	4.5
139.26309	0.1
149.06009	1.1
155.03444	4.0
173.04506	100.0
174.04846	3.4
174.06371	0.2
178.02744	0.3
191.05579	11.4
192.05917	0.5
193.05035	14.7
194.05330	0.9
225.74153	0.2
225.85204	0.2
237.48848	0.2
270.68384	0.2
293.63791	0.2
299.01776	0.2
312.26721	0.2
367.10391	37.5
368.10730	3.7
502.72153	0.2
610.14417	0.2
702.18353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.8
57.03332	3.5
58.00478	2.2
58.55716	1.0
59.01265	64.2
59.57197	0.9
61.98719	53.3
67.09190	1.0
69.03339	3.3
69.44297	8.5
71.01272	49.2
72.99194	5.1
73.02841	10.1
75.00754	1.8
78.95782	1.1
80.96394	1.4
83.01279	9.6
85.02848	25.2
87.00787	4.9
88.98695	1.3
89.02338	16.6
93.03366	2.9
95.01291	6.9
96.95905	3.2
97.02862	3.5
99.00793	5.7
101.02355	29.2
111.00767	3.6
113.02361	20.4
116.92772	3.7
117.03455	1.2
119.03384	5.1
119.04900	1.8
121.10211	1.4
122.93675	1.0
125.02374	6.0
125.18827	1.1
127.61218	1.0
129.01889	2.1
134.03638	2.1
137.19420	1.1
142.05278	1.2
143.03426	2.4
145.02876	3.3
159.02939	2.0
160.01611	1.8
161.04486	4.2
163.03987	1.2
171.10222	2.6
173.04521	5.9
175.03986	1.8
178.02458	1.1
179.05597	2.2
185.15405	1.2
191.05592	3.1
193.05058	1.5
209.11809	3.2
325.27615	1.3
343.28656	2.3
415.87686	1.1
487.32935	8.9
505.34015	8.4
505.99017	1.2
649.38190	100.0
650.38580	17.4
667.39264	69.2
668.39484	10.7
709.40271	33.4
710.40186	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	753.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.3
59.00997	1.0
59.01263	9.7
59.56318	0.8
61.98708	1.2
68.99706	2.5
69.03346	1.4
71.01263	7.8
71.38390	1.4
71.38735	1.1
71.73057	0.9
72.99208	1.7
73.02813	2.9
75.00766	1.8
76.91427	0.8
78.95779	1.6
83.01269	1.4
83.04904	1.4
85.02834	3.4
86.05578	0.9
87.00780	6.3
87.04382	1.6
89.02343	4.6
95.04926	1.0
97.02805	0.9
97.06508	6.1
101.02345	6.9
109.06492	1.0
111.08103	1.1
113.02351	3.7
123.08066	3.6
125.02320	0.9
125.09641	33.2
127.07508	0.9
137.09665	1.9
139.11168	1.0
141.09116	1.7
141.12720	1.2
143.03429	1.0
151.11263	4.4
153.09167	8.8
155.10724	28.4
156.11072	1.5
161.04474	2.4
163.11176	1.1
165.09157	7.9
165.15585	0.8
167.10704	2.1
169.12308	1.3
171.10187	3.4
173.04567	0.9
176.43198	0.8
182.70876	0.8
183.10237	14.2
185.10207	1.6
185.11804	26.7
186.12140	1.2
187.09717	4.7
195.10223	6.0
197.11855	1.5
201.11313	1.3
207.10292	4.1
209.11832	1.0
213.11328	65.6
214.11722	4.7
225.11392	1.4
235.08234	1.7
239.09335	1.0
243.97623	0.9
253.09360	9.2
277.21783	64.4
278.22061	6.5
291.19705	1.2
309.20682	2.0
324.40079	0.9
380.57462	0.9
405.17526	1.8
431.19339	2.1
449.20377	7.1
450.20651	1.7
461.20386	1.2
493.19147	1.4
688.92065	1.0
709.41864	11.5
710.42670	2.1
753.40802	100.0
754.41089	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.4
58.00464	1.8
59.01266	31.3
61.98718	80.0
69.03349	1.4
71.00897	2.2
71.01270	31.7
71.04900	2.5
71.56340	1.5
72.99210	2.0
73.02843	3.6
75.00768	1.2
78.95783	1.7
83.01276	2.6
85.02834	6.1
87.00776	5.0
89.01829	2.0
89.02341	23.5
89.48196	0.9
95.01285	2.0
96.95895	1.1
97.02842	3.8
99.00787	1.5
101.02340	19.2
113.02362	10.0
116.92776	1.5
119.03436	5.8
125.02377	7.6
143.03424	2.8
161.04530	4.0
171.10324	1.2
173.04480	2.1
175.07640	1.4
179.05562	5.4
191.17989	1.4
203.21356	1.2
207.10216	1.3
209.11797	2.9
215.51636	1.0
231.21133	2.2
235.08229	7.2
235.17055	34.4
236.17412	2.3
275.20212	43.0
276.20538	5.1
287.07776	2.2
293.21304	100.0
294.21631	10.4
305.08777	2.2
397.13599	78.3
398.13995	6.2
415.14673	43.1
416.14871	4.3
491.20538	3.0
633.31488	2.1
673.34314	1.9
691.35443	5.2
723.56116	1.3
746.32697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
57.03312	0.8
59.01265	14.7
61.98716	29.7
63.22895	0.6
69.03333	1.0
71.00901	1.2
71.01269	14.6
71.58520	1.0
72.99172	1.7
73.02821	2.2
75.00764	0.8
75.54013	0.7
83.01275	0.8
85.02821	3.1
87.00770	2.4
89.02338	10.3
95.01304	1.0
95.04938	0.6
96.95915	0.8
97.02853	1.8
99.00771	0.8
101.02345	10.4
113.02348	3.7
115.54978	0.6
119.03424	3.0
125.02390	3.4
143.03450	1.4
159.42406	0.6
161.04460	0.9
162.05388	0.6
165.05731	0.6
171.10208	0.6
179.05583	2.3
179.14342	1.1
195.13875	9.3
196.14391	1.6
209.11702	1.0
223.13428	4.7
235.08318	3.1
253.09279	1.4
256.13318	0.9
275.20255	3.4
287.07547	0.8
293.21292	100.0
294.21603	10.3
305.08817	1.3
349.32013	0.6
397.13586	26.8
398.13931	3.5
415.14621	30.8
416.14951	2.6
511.40634	0.7
654.27661	0.8
691.35638	5.5
692.36365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	1.3
61.98716	0.2
69.69270	0.7
71.01266	1.4
72.98776	0.2
72.99197	3.3
73.02848	0.2
73.99538	0.2
75.00763	100.0
76.01096	1.0
83.01249	0.2
85.02855	0.3
87.00785	0.3
89.02341	1.0
96.95896	0.1
97.02823	0.2
99.00830	0.2
101.02344	1.2
113.02344	0.6
119.03437	0.4
125.02376	0.4
129.01895	0.1
139.03961	0.2
143.03438	0.1
161.04504	0.3
179.05592	0.4
197.11815	0.4
207.10228	0.3
223.13414	0.4
235.08255	0.8
253.09300	0.1
277.21777	3.4
278.22110	0.3
287.07867	0.2
290.18414	0.2
291.19724	0.5
292.20657	0.1
293.21375	0.3
298.35364	0.1
305.08859	0.4
309.20700	0.2
311.59009	0.1
397.13589	8.0
398.14056	0.5
415.14639	2.3
675.36340	0.5
751.39667	0.7
781.00726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.2
59.29798	0.1
61.98723	0.1
70.97375	0.2
71.01271	1.1
72.99198	3.3
73.02843	0.2
73.99546	0.1
75.00764	100.0
75.44078	0.1
76.01102	1.0
78.14951	0.1
83.01251	0.1
85.02844	0.2
86.52146	0.1
87.00781	0.2
89.02335	1.0
95.01318	0.1
97.02861	0.3
101.02357	0.9
101.59119	0.1
113.02348	0.4
119.03398	0.2
125.02389	0.4
134.51869	0.1
143.03435	0.2
155.96996	0.1
161.04529	0.2
179.05557	0.2
197.11716	0.1
225.11357	0.2
235.08255	0.6
253.09212	0.1
277.21786	3.4
278.22125	0.4
287.07693	0.2
293.21228	0.2
305.08878	0.2
323.09909	0.1
355.48694	0.1
357.49603	0.1
397.13599	6.9
398.13837	0.6
415.14703	1.9
416.14969	0.2
531.18597	0.1
675.36188	0.3
751.39545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.5
57.03339	3.6
59.00966	1.8
59.01264	32.8
60.42955	1.4
61.98717	26.8
69.03365	2.0
70.02605	7.2
71.01273	28.1
71.04900	1.7
72.99232	1.6
73.02839	4.4
78.95795	1.7
81.03392	1.6
83.01302	3.3
85.02859	5.1
87.00776	5.2
89.02342	19.5
94.26660	1.2
95.01270	1.9
95.55450	1.3
96.21249	1.2
96.95935	3.7
97.02845	4.3
99.00771	1.4
101.02355	18.6
113.02348	10.6
113.09635	9.7
119.03436	4.0
125.02399	6.8
132.94238	1.1
139.11250	2.0
143.03442	3.4
161.04512	4.2
167.10733	2.2
171.10236	5.0
179.05606	4.3
183.13892	3.8
195.13901	3.6
209.11865	4.3
225.11299	1.8
235.08295	7.7
235.17123	2.3
253.09462	2.9
275.20154	7.2
287.07755	2.6
293.21304	100.0
294.21567	10.3
305.08893	2.3
307.19263	1.5
309.20801	1.8
319.75458	1.7
397.13586	80.0
398.13986	4.7
415.14664	36.6
416.14990	2.4
691.35779	7.6
751.39478	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	745.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.7
61.98709	1.5
61.99903	0.5
62.96281	0.5
71.01253	0.5
71.57965	0.7
72.69167	0.4
78.95792	36.0
79.95615	0.6
80.96408	1.2
92.92710	1.3
94.92397	1.0
95.64141	0.4
96.96852	2.6
100.73989	0.4
119.94676	0.5
134.98508	0.7
150.98015	0.6
152.99524	43.6
153.99886	0.8
171.00607	3.6
171.10237	0.7
209.02156	0.5
209.11711	0.7
224.66089	0.5
227.03267	4.4
245.04318	1.3
253.21770	24.2
254.22035	1.4
255.23372	11.6
256.23627	2.2
277.21915	0.7
278.21967	0.5
279.23367	6.4
280.23700	1.0
281.24918	100.0
282.25247	9.8
390.40271	0.5
417.24332	2.2
463.24774	0.6
483.27405	0.6
491.27698	1.3
508.27670	0.6
509.28928	80.6
510.29285	11.0
744.90021	0.7
745.50421	40.7
746.50989	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	747.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76918	0.3
59.01265	100.0
60.01596	0.4
65.06599	0.4
67.09589	0.4
70.23178	1.6
77.04108	0.4
78.95793	0.7
80.61275	0.4
98.20464	0.7
104.76910	0.4
162.03300	0.4
270.60449	0.4
440.14954	0.9
455.17380	2.9
456.17334	0.7
459.16895	0.4
467.13733	0.6
469.11298	0.9
470.11746	0.4
473.18347	4.9
474.18768	1.1
482.11954	0.5
483.12683	0.6
496.13977	2.3
497.14444	0.7
499.16049	0.5
510.15359	0.7
511.12000	0.9
512.13367	9.9
513.13800	2.4
525.14264	0.8
526.15082	11.3
527.15399	4.2
555.15283	0.5
569.17004	2.1
599.18225	1.0
600.18683	1.5
601.19415	3.0
602.19574	1.1
613.19427	2.3
614.20306	62.5
615.20599	17.2
618.15924	0.9
632.17572	1.4
646.19415	6.0
647.19666	2.3
673.21326	0.9
687.23047	4.6
688.23492	1.7
747.25391	56.1
748.25665	17.2
748.36273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01267	22.2
61.98717	60.2
65.01233	0.9
69.03334	2.2
69.72886	5.3
71.01270	20.9
72.99200	1.9
73.02854	2.2
75.00762	1.3
83.01283	2.4
83.04930	1.2
85.02846	3.8
87.00768	3.0
89.02341	12.6
94.66532	1.1
94.70230	1.0
95.01276	2.1
96.95885	1.3
97.02872	3.2
97.06504	1.7
99.00813	1.7
101.02339	13.4
109.06467	1.5
111.08071	0.9
113.02357	6.8
119.03445	3.1
121.10137	8.2
123.08072	1.3
124.97829	0.9
125.02369	5.2
125.09639	5.3
133.05022	1.0
135.04456	1.2
139.16179	0.9
143.03456	2.4
161.04501	2.7
165.02879	1.0
171.10240	2.9
179.05525	2.7
181.12532	1.0
185.11818	14.7
197.11848	4.0
207.10201	2.0
209.11790	7.1
211.13397	3.0
225.11357	1.8
235.08241	4.2
247.20706	1.4
253.09218	1.1
273.18600	1.8
291.19733	100.0
292.20096	11.2
309.21301	1.3
323.09689	1.0
352.13803	1.2
362.89038	0.9
397.13571	45.7
398.13983	3.4
415.09116	1.5
415.14664	26.7
416.15063	2.2
689.33997	14.1
690.34271	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	3.5
61.98716	4.9
69.03361	1.6
70.68152	0.6
71.01293	1.1
71.49943	0.9
78.95811	1.0
85.02857	1.1
88.98725	1.7
90.29810	0.5
93.03387	2.7
96.95934	1.4
107.04907	0.6
108.02108	1.7
109.02882	0.9
121.02875	27.0
123.04480	1.9
131.04965	0.8
133.02881	1.3
133.06552	0.7
133.71333	0.6
134.03671	35.8
135.04491	3.1
137.02380	0.7
143.04970	0.9
145.02940	1.5
145.06508	3.7
147.04433	1.1
148.05208	3.6
149.02379	21.3
149.03568	1.1
149.06018	22.5
150.02811	0.7
150.06372	1.1
151.03938	1.5
152.99565	2.3
159.04469	3.8
160.05240	4.9
161.02461	1.6
161.06029	2.0
162.03171	2.2
163.03925	1.9
164.04758	6.6
165.05472	0.7
171.04501	0.8
171.10242	2.6
173.04585	0.7
173.34081	0.7
175.03961	14.3
175.07599	6.4
175.86404	0.6
176.04750	88.7
177.05486	12.0
178.05960	0.7
179.03720	1.5
179.07098	20.7
180.07486	1.4
187.03987	1.1
188.04764	5.0
190.06287	0.9
191.03503	17.1
191.07108	100.0
192.04234	1.5
192.07495	5.2
199.13455	1.2
201.05586	0.9
202.06323	1.1
203.07114	10.2
205.04962	0.7
205.08698	1.7
206.05838	15.5
207.06473	1.7
208.07362	0.9
217.08635	1.3
221.08192	28.7
222.08530	1.7
223.09782	5.1
228.49011	0.6
247.07625	1.8
252.08073	1.0
253.08794	0.7
253.21783	1.0
255.23441	1.4
263.07138	5.7
264.07895	2.0
265.08652	0.8
266.05984	0.7
267.06360	0.6
275.07132	2.2
276.07916	6.6
277.05139	0.7
277.08496	1.9
277.21744	2.1
278.05844	1.3
278.22107	1.4
279.06839	0.8
279.23306	4.2
280.07562	4.4
281.08179	5.5
291.06589	2.1
292.07477	12.2
293.08105	3.1
295.06387	0.8
295.09821	7.3
296.10400	2.4
304.07401	1.5
307.09811	6.3
308.10300	1.0
309.07858	3.8
310.08405	0.7
310.12204	0.7
311.12823	1.1
318.08981	0.9
324.10056	11.1
325.10690	4.9
325.21600	1.1
336.10138	1.2
339.12445	69.3
340.12677	6.8
343.22797	1.6
349.79471	0.7
351.12454	13.8
352.12869	1.5
353.14099	3.9
356.12732	4.7
365.13947	1.5
369.09418	0.9
369.13535	2.4
370.13953	0.7
371.15079	27.4
372.15314	3.2
399.14563	4.3
501.19278	3.4
519.20215	7.1
520.20416	1.7
549.21240	1.4
563.23157	4.8
564.23291	0.8
575.22528	1.4
593.24133	1.7
725.29138	2.6
726.29980	1.3
743.29852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.8
61.98713	1.2
69.58694	2.3
69.59122	1.7
71.01273	2.8
73.02829	0.8
74.95130	0.5
78.95788	0.8
79.59427	0.5
80.42637	0.5
87.00767	0.7
87.84819	0.5
89.02335	1.5
96.90355	0.5
101.02343	2.5
109.54012	0.5
113.02393	1.1
125.02321	0.5
125.09595	0.9
127.11189	1.9
136.30011	0.5
143.03354	0.5
145.05000	0.6
147.44258	0.5
153.09103	0.7
161.04425	0.7
171.10214	100.0
172.10544	4.5
184.50459	0.5
195.13875	3.2
196.36462	0.5
209.11838	0.5
223.13380	2.1
227.12990	0.5
235.08208	5.4
235.13132	0.6
253.09329	10.0
254.09549	1.1
270.53809	0.6
275.20209	6.4
276.20581	0.6
293.21298	41.7
294.21619	5.7
407.19354	5.1
408.42377	0.6
447.31302	0.7
461.77386	0.7
569.13049	0.6
640.63379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.3
59.01274	1.0
61.98727	2.5
65.00217	0.5
67.01761	0.8
69.03340	4.1
70.87437	0.8
70.87766	0.5
71.01290	0.5
78.95797	0.8
79.63071	0.4
85.02830	0.6
93.03362	3.7
96.95927	0.8
99.04472	0.5
107.04940	0.9
109.02872	1.1
119.01309	1.1
119.04942	3.7
121.02891	1.6
134.03664	0.5
135.00778	0.7
135.04433	0.6
136.01593	2.1
137.02396	5.8
145.02882	1.0
145.06482	0.7
147.00795	2.9
147.04460	14.6
148.01607	5.0
148.04823	0.8
149.02386	12.8
149.06010	13.4
150.03064	1.7
150.06438	0.6
151.03954	2.7
159.04453	1.4
160.05251	1.0
161.02371	0.6
161.06059	1.0
162.03191	2.0
163.00363	0.7
163.03969	5.0
164.01096	3.4
164.04736	24.3
165.01891	17.2
165.05334	1.8
166.02509	0.8
173.04465	0.8
173.06026	0.6
174.03217	2.8
175.03970	100.0
175.07407	1.9
176.04715	19.4
177.01904	0.9
177.05530	10.4
178.02657	0.7
178.05922	0.6
179.01860	0.9
179.03493	22.7
179.07097	46.5
180.04208	5.1
180.07431	2.5
189.05519	1.1
190.06328	83.3
191.03514	6.2
191.07065	24.1
192.04152	1.9
192.07431	1.3
193.05019	2.1
193.08675	4.5
194.05826	3.6
195.06593	0.9
205.08691	90.5
206.05870	2.8
206.09029	5.7
207.06665	2.2
207.10312	1.5
208.07117	0.9
209.08264	0.8
209.11874	0.7
221.08224	8.2
222.08514	0.6
223.09782	1.5
226.19827	0.5
281.24991	1.1
325.11096	0.5
337.14465	0.8
341.10217	0.9
343.12030	3.3
354.11087	0.5
355.15619	1.7
356.12823	1.0
357.13632	1.4
358.14636	0.7
369.13510	21.5
370.13919	2.5
371.11237	3.0
371.15128	10.0
372.11636	0.9
372.16077	2.7
373.16660	19.7
374.16931	1.7
386.13766	1.6
387.14227	1.0
401.16113	7.9
402.16711	0.6
478.70135	0.5
505.18768	0.5
509.29471	0.6
521.21857	2.0
533.22101	1.5
536.20868	0.9
547.23901	1.1
551.22998	62.2
552.23395	11.8
626.66321	0.6
665.12482	0.5
709.29303	0.5
745.32513	20.9
746.32623	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	745.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.4
60.99191	18.1
61.09246	0.2
61.98722	1.9
69.03341	0.4
69.33553	2.7
71.01276	1.8
72.99203	0.3
73.02838	0.7
75.00756	0.4
75.14898	0.2
75.63110	0.3
78.95794	0.7
83.01316	0.3
85.02840	0.5
88.98698	100.0
89.02339	0.8
89.99052	1.1
93.03376	0.5
96.95925	0.7
101.02332	0.7
107.01326	0.3
108.02014	0.3
113.02357	0.5
117.03382	0.9
121.02911	0.4
122.06022	0.6
124.01540	0.4
134.06046	0.3
135.04494	0.4
137.02348	0.4
145.02876	2.8
146.03206	0.3
149.39917	0.2
151.00307	2.0
152.01045	0.6
152.07124	1.1
161.02376	0.4
161.04495	0.3
169.01361	0.4
173.04507	0.8
175.04034	0.2
178.99812	0.6
185.00891	0.3
191.05595	0.5
193.04854	0.4
198.46471	0.3
218.73775	0.3
319.94208	0.3
373.10965	0.3
401.10141	1.2
418.11243	0.3
419.11676	1.2
539.28766	1.9
604.18469	0.3
667.28308	1.3
690.05725	0.2
711.82489	0.3
745.22681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.1
60.01589	0.1
60.99200	0.3
61.98718	100.0
62.98415	0.2
71.01270	1.1
71.01554	0.1
71.39166	0.1
72.01612	0.2
73.02834	0.2
74.78635	0.1
78.95810	0.2
81.03403	0.1
83.01310	0.2
83.04935	0.4
85.02844	0.2
87.00789	0.3
88.00318	0.2
88.98703	1.3
89.02334	0.9
90.02722	0.2
95.04884	0.2
101.02357	0.7
102.02770	0.1
111.95779	0.1
113.02374	0.4
118.62565	0.1
119.03433	0.3
119.05641	0.1
124.19383	0.1
124.80358	0.1
125.02349	0.2
125.09690	0.2
127.11233	0.3
152.99602	0.2
155.10789	0.1
161.04562	0.2
163.11310	0.3
165.12820	0.1
165.14168	0.1
171.10220	0.9
179.05588	0.2
201.11310	4.5
202.11662	1.4
203.11963	0.1
209.11818	9.9
210.12152	3.4
211.12479	0.2
226.11765	0.1
227.12892	1.1
228.13258	0.3
235.08302	0.3
236.08604	0.2
253.09314	1.2
254.09752	0.4
267.64117	0.1
277.21793	6.1
278.22116	3.9
279.22964	0.3
281.24915	0.9
282.25241	0.8
283.25696	0.4
284.25803	0.2
293.21448	0.5
397.13678	0.5
398.13879	0.9
399.14072	1.1
400.14221	0.7
415.14523	0.2
416.15039	0.4
417.15213	0.3
418.15561	0.2
437.20450	0.3
438.20758	0.1
445.21179	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	741.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	29.0
70.81702	0.9
73.58692	0.4
76.50409	0.4
78.95795	34.6
88.19760	0.5
96.84583	0.4
96.96857	3.2
141.01630	16.6
142.01950	0.5
150.97975	0.9
152.99522	41.1
153.99828	0.6
171.00616	3.4
188.98578	2.0
217.00282	3.4
223.02037	3.2
227.03271	4.1
231.21033	0.7
232.97549	13.5
232.99889	0.7
233.97720	0.8
245.04573	0.9
253.21759	31.5
254.22067	2.8
255.23355	6.8
272.62766	0.5
275.20224	1.8
277.21777	73.8
278.22119	6.8
279.23386	1.3
299.00616	1.6
305.02371	2.7
314.97922	4.8
315.98184	0.6
381.00906	0.5
387.02405	0.6
396.98312	3.1
413.21140	2.6
462.69968	0.5
463.24811	0.9
483.27426	4.2
484.27756	0.6
487.24805	1.3
505.25842	100.0
506.26120	13.5
520.78802	0.5
741.47302	35.3
742.47540	9.8
770.58459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
56.08178	0.2
57.03321	0.3
58.00487	0.4
59.01268	4.8
67.87048	0.3
70.35659	0.5
70.36045	0.4
71.01270	4.9
72.99194	0.5
73.02837	1.1
77.83858	0.2
78.95795	0.7
80.02560	0.7
81.03347	1.0
83.01280	0.8
83.04914	4.1
84.02071	0.7
85.02844	1.2
87.00780	0.9
89.02339	2.5
91.03937	0.3
93.03358	0.4
95.01252	0.4
95.04916	0.9
97.02822	0.4
97.06454	0.4
98.20505	0.4
98.77113	0.3
99.00837	0.4
99.04445	0.3
101.02344	3.7
109.06480	0.4
109.08352	0.3
113.02348	2.0
119.03415	0.9
123.05823	0.3
125.02396	0.4
125.06007	0.6
125.09634	1.5
127.11224	2.1
135.08112	0.6
137.09648	0.4
143.03444	0.3
145.04982	0.5
152.99510	0.3
153.12772	0.5
155.10719	1.1
161.04515	2.3
163.11237	3.2
163.19362	0.3
165.09152	1.3
165.12828	1.6
171.10236	2.5
172.10638	0.5
173.10745	0.3
179.05537	0.7
181.12325	0.6
183.10271	0.3
191.10783	0.9
197.11810	0.7
199.09743	0.9
201.11302	46.4
202.11697	2.8
207.10295	0.5
208.10521	0.4
209.11818	100.0
210.12135	6.7
218.18123	0.3
225.11333	1.2
226.11615	0.7
227.12901	12.2
228.13292	0.9
233.23004	0.3
235.08218	5.9
236.08636	0.5
253.09320	15.4
254.09694	1.0
259.20746	0.3
275.20163	0.4
277.21774	100.0
278.19034	0.6
278.22113	11.1
279.22522	1.0
359.51651	0.3
390.92685	0.3
397.79495	0.3
405.17938	0.4
419.19177	0.9
437.20419	2.4
443.31790	1.4
445.21045	2.1
461.32761	0.8
463.21967	0.4
505.25787	0.6
513.31042	1.3
514.31042	0.3
741.45538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67826	0.2
54.07308	0.2
55.01788	0.3
56.26145	0.2
57.03330	0.4
58.00488	0.6
59.01267	4.8
60.27164	0.3
61.98717	15.3
65.74285	0.3
69.03342	0.4
69.55199	2.2
71.01263	5.1
71.66944	0.3
72.99201	0.3
73.02834	0.9
78.95797	0.9
79.62640	0.3
80.02567	1.0
81.03346	0.9
83.01283	0.6
83.04910	4.2
84.02080	0.8
85.02851	1.0
87.00776	2.8
88.00307	0.9
89.02338	3.1
91.03913	0.3
93.03381	0.3
95.01295	0.3
95.04901	0.3
97.02853	0.4
97.06444	0.3
101.02340	4.3
109.06474	0.4
113.02389	1.9
119.03418	0.7
122.98406	0.6
125.02370	0.4
125.05988	0.5
125.09630	1.8
127.11221	2.7
131.03413	0.3
135.08066	0.6
135.15733	0.3
137.09642	0.4
139.11215	0.4
143.03441	0.8
152.99515	0.4
155.10716	0.7
157.67462	0.3
161.04494	1.1
163.11250	3.4
165.09161	1.0
165.12782	2.0
169.13887	0.3
170.95381	0.3
171.10251	4.0
172.10571	1.0
179.05586	0.7
181.12329	0.6
183.10220	0.5
191.10670	0.7
195.87418	0.2
199.09761	1.0
201.11305	45.0
202.11647	2.4
207.10156	0.5
209.11821	100.0
210.12143	6.9
225.11282	1.3
226.11688	0.8
227.12895	11.1
228.13264	0.5
235.08260	3.0
253.09326	14.3
254.09729	0.6
255.12558	0.3
259.20624	0.4
267.93546	0.3
277.21777	68.6
278.22128	9.1
279.22659	1.0
281.24966	1.4
282.25201	0.7
295.22791	0.3
335.66214	0.3
336.54135	0.3
397.13608	0.9
398.13889	1.0
399.14008	1.1
416.14960	0.5
417.15189	0.3
419.19342	0.7
437.20560	2.3
443.31763	1.2
445.20877	2.1
446.21408	0.5
454.50824	0.3
461.32895	0.9
505.25955	0.7
513.30823	0.7
697.40833	0.4
704.39417	0.3
723.42523	0.4
741.42889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01267	5.6
61.98706	2.1
69.83216	0.9
71.01276	6.8
71.04922	2.7
71.30669	1.0
71.58870	1.1
78.95792	11.1
85.02840	1.7
87.00779	1.7
89.02334	1.7
89.17516	0.9
90.06165	1.1
96.96869	1.8
97.02854	4.3
97.06471	2.7
99.00793	10.6
101.02369	4.0
109.06537	1.6
113.02351	2.7
123.08054	1.1
124.39541	1.2
125.09647	8.9
135.08061	1.4
142.02692	1.8
152.02380	1.1
152.99519	7.4
163.11240	6.5
171.10255	4.7
181.12314	9.5
187.09695	2.2
197.11792	1.4
199.13425	10.5
201.11275	2.5
207.10263	20.4
208.10640	2.3
225.11325	32.1
226.11638	3.9
235.08264	2.0
243.12413	6.0
253.09375	4.6
253.21765	1.3
255.23448	1.7
277.19171	1.4
277.21826	4.9
279.23352	78.7
280.23685	8.4
295.23032	1.4
388.15640	1.1
433.67316	1.1
461.20523	4.6
499.38361	1.2
505.25241	3.1
723.43665	5.6
741.44550	100.0
742.44885	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	741.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	5.5
61.98717	1.2
71.01271	8.3
71.04893	1.6
71.59076	0.9
73.02834	1.6
74.19149	0.8
78.95796	7.3
85.02832	1.5
87.00802	0.9
89.02352	1.3
97.02853	3.3
97.06486	1.4
99.00786	10.0
101.02356	2.6
109.06495	1.3
113.02330	1.5
125.02316	0.8
125.09628	5.4
127.11256	1.2
136.17194	0.8
141.70258	0.8
142.02641	1.7
144.22696	0.8
152.99518	4.4
153.12830	0.9
161.04573	1.1
163.11235	6.8
171.10277	3.9
181.10822	1.0
181.12312	12.8
182.12628	0.9
197.11823	1.6
199.13379	20.1
200.13835	0.8
201.11273	1.9
207.10262	26.9
208.10565	1.9
225.11330	47.8
226.11661	2.9
241.63983	0.9
243.12381	13.6
244.12740	1.3
253.09290	2.9
255.23259	1.0
277.21878	4.3
278.22165	1.6
279.23349	35.2
280.23709	3.5
299.15341	0.9
321.74472	0.8
461.20367	8.1
479.21515	1.9
505.25986	2.3
723.43506	3.6
741.44482	100.0
742.44946	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	741.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21986	1.2
59.01262	7.1
61.98715	14.1
69.03337	1.9
71.01260	5.0
71.98808	1.2
72.99199	1.7
73.02853	2.3
78.95788	4.4
79.95580	1.3
85.02821	3.1
87.00757	1.8
88.98723	1.5
89.02326	3.2
93.03331	2.7
96.95921	2.4
97.02914	1.9
98.19759	2.7
101.02368	3.1
113.02326	2.0
122.06041	1.7
125.02327	1.6
134.03619	3.0
135.04388	1.3
145.02908	1.6
152.07130	2.2
152.99600	1.5
160.01611	5.0
161.02214	1.3
163.11246	1.5
171.10217	2.6
173.04500	4.2
175.04066	7.2
179.10603	1.5
191.05534	2.8
193.05133	2.8
207.10231	3.5
209.11827	100.0
210.12234	6.7
225.11354	2.4
227.12904	28.6
228.13231	1.8
235.08148	2.6
253.09293	7.0
253.21912	1.7
277.21783	4.3
279.36151	1.5
327.87305	1.3
343.21295	1.5
352.69595	1.6
445.21072	11.6
446.21313	1.6
505.25525	4.6
625.26538	1.4
637.32434	3.1
642.86096	1.2
655.33734	2.3
673.34283	2.7
741.34998	31.9
741.47235	1.8
742.35437	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	740.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24163	0.1
59.01259	0.5
61.98717	100.0
62.98419	0.2
64.06147	0.1
69.79404	0.5
70.35351	0.1
75.91906	0.1
81.03373	0.1
83.04935	0.3
84.05244	0.1
93.03348	0.1
96.95931	0.1
98.19850	0.1
119.07364	0.1
135.04506	0.1
173.04518	0.2
185.00844	0.1
191.05583	0.1
202.06152	0.1
225.16068	0.2
226.16254	0.1
344.79404	0.1
353.55566	0.1
453.33511	0.1
454.33698	0.1
678.50012	0.5
679.50330	1.0
680.50745	3.9
681.50940	0.2
740.49512	2.5
741.49585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37540	0.3
55.62225	0.3
59.01260	1.5
60.81791	0.3
61.98718	3.4
62.64796	0.3
64.19053	0.3
71.01262	0.6
71.56462	0.5
71.56845	0.5
77.03845	2.3
78.21790	0.3
78.95827	0.6
93.03397	0.4
96.95895	0.5
97.08684	0.3
121.02872	100.0
122.03172	3.5
141.01646	0.7
152.99435	0.4
165.01886	69.7
166.02238	2.9
171.10107	0.6
180.05663	0.6
181.06572	2.5
191.03476	1.5
209.11810	5.1
210.12144	2.9
225.05583	1.5
227.12914	0.6
253.09361	0.7
276.20627	0.4
277.21768	1.3
293.21292	1.8
294.21539	1.9
295.22266	0.4
313.07266	1.9
356.99451	0.5
357.06250	8.9
357.10501	0.7
358.06653	0.4
422.68762	0.4
505.25784	1.2
549.11316	0.5
619.42462	0.4
741.14893	5.6
742.15607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36549	0.2
59.01267	1.3
61.98718	100.0
62.98417	0.3
71.01272	0.6
71.58638	0.4
71.59000	0.2
78.66025	0.3
78.95795	1.1
80.02566	0.2
89.02339	0.4
89.18581	0.2
101.02326	0.4
122.98468	0.7
152.99550	0.3
163.04071	0.3
171.10242	0.8
179.10880	0.3
195.52621	0.2
197.11739	0.2
209.11824	1.6
210.12148	0.5
211.13496	0.5
235.08246	0.4
253.09441	0.4
254.48997	0.3
277.21722	2.8
278.22186	0.3
279.23688	0.6
280.23633	0.5
291.19876	0.4
293.21283	0.8
294.21896	0.5
302.11981	0.3
392.47293	0.2
392.52365	0.2
397.13724	0.3
398.13953	0.6
399.14099	0.7
400.14175	0.3
462.38596	0.2
499.82553	0.2
618.47693	0.3
740.42633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00662	0.0
57.24655	0.0
59.01259	0.5
60.01626	0.1
61.01691	0.1
61.98717	100.0
62.98417	0.2
69.03316	0.1
71.01274	0.5
71.58685	0.1
72.01604	0.1
73.02823	0.1
85.02865	0.1
89.02313	0.4
90.02673	0.1
101.02363	0.3
113.02366	0.2
119.03389	0.1
125.02379	0.1
143.03438	0.1
161.04460	0.1
179.05708	0.1
209.11865	0.1
235.08307	0.1
236.08633	0.1
240.22212	0.0
262.79578	0.1
279.23370	0.5
280.23734	0.8
281.24097	0.3
282.24347	0.2
370.43851	0.1
397.13547	0.3
398.13968	0.6
399.14136	0.9
400.14325	0.4
415.15103	0.1
416.14960	0.1
417.15253	0.2
418.15384	0.1
467.25476	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.01262	5.6
61.84506	0.7
61.98711	3.4
69.03342	3.9
71.01268	7.2
71.04893	1.3
72.93311	0.7
73.02840	1.1
78.95788	2.1
83.04890	1.0
85.02833	2.0
87.00750	0.8
89.02322	2.6
95.01236	0.7
99.00849	0.9
101.02328	3.3
113.02340	2.0
125.09647	1.7
135.60864	0.7
137.09679	0.9
151.11208	1.9
152.99536	1.6
153.12849	1.0
161.04500	1.2
161.09631	2.6
169.12262	2.2
171.10229	8.8
179.10721	6.3
197.11813	71.7
198.12144	3.8
201.11385	4.0
207.10226	3.1
209.11859	0.9
223.09816	1.9
225.11273	5.8
241.10834	2.8
253.09337	2.9
258.51785	0.8
277.21759	7.9
278.21881	0.8
279.23355	33.4
280.23505	3.3
461.19785	1.0
477.19803	2.0
721.42322	1.3
739.42841	100.0
740.43195	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	739.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	0.7
57.03328	1.3
58.00236	0.5
58.00491	1.7
59.01266	12.0
61.73003	0.4
61.98717	2.0
67.01794	0.5
69.03340	1.1
71.01273	18.5
72.01584	0.6
72.99191	1.2
73.02842	5.6
75.00784	0.5
78.95814	1.3
79.95630	0.5
80.02578	0.8
81.03359	1.4
83.01291	1.6
83.04920	1.9
85.02848	4.7
87.00774	2.8
89.02353	5.3
91.03946	0.8
93.03345	0.8
95.01291	1.1
95.04925	3.1
97.02833	3.0
97.06508	0.6
99.00784	1.8
99.04452	1.1
101.02348	6.3
109.02859	0.5
109.06508	8.3
110.03646	1.8
111.00786	1.8
111.04469	1.4
111.08099	0.6
113.02356	4.9
117.24458	0.5
119.03429	1.6
119.08559	0.5
121.06531	0.6
123.08082	0.7
125.02378	1.2
125.06022	1.1
125.09663	3.7
126.75694	0.4
127.11217	4.9
133.04985	0.5
135.08093	1.6
137.02348	0.5
137.09660	0.7
139.07574	1.2
141.01883	0.9
141.85641	0.5
143.03403	2.7
145.05031	0.6
145.10139	0.6
149.09666	1.2
151.11191	1.0
153.09192	1.0
153.12788	0.7
155.10735	3.0
161.04491	2.8
161.09669	1.2
163.11227	8.3
165.09164	1.4
167.03441	0.5
167.10751	1.1
169.12317	1.4
171.10225	84.2
172.10562	3.6
179.05542	1.5
179.10765	1.1
181.12303	3.3
183.10205	1.4
185.04539	0.8
185.11821	4.1
189.09198	3.4
197.11772	2.5
199.09795	1.0
199.13338	0.6
201.11304	48.2
202.11630	2.2
207.10257	28.4
208.10535	1.5
209.11839	1.9
209.52043	0.5
211.13441	0.9
215.12816	3.4
225.11325	55.7
226.11662	4.1
227.12854	0.8
235.08223	3.1
243.12436	4.0
253.09331	14.4
254.09569	1.0
259.20740	0.7
275.20224	0.6
277.21780	100.0
278.19412	0.8
278.22156	9.7
293.21326	1.7
295.07587	0.6
295.10379	3.0
313.53265	0.4
405.17850	0.7
407.19406	1.0
443.19150	3.7
443.31680	0.7
461.20435	10.0
461.32611	0.7
462.20694	1.1
479.21326	2.0
485.33374	0.5
709.73407	0.6
721.41956	5.3
722.42035	1.4
739.43030	3.0
740.43317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64394	0.5
53.78759	0.6
57.03341	1.0
58.00486	1.1
59.01266	11.0
60.05696	0.6
61.98713	1.3
65.80106	0.6
69.03349	0.8
71.01272	16.5
71.39014	1.2
72.99187	1.9
73.02840	4.5
78.95819	1.5
81.03349	1.0
83.01283	1.1
83.04917	1.7
85.02842	5.0
87.00774	3.6
89.02344	4.8
91.03899	0.7
95.01273	0.9
95.04924	1.6
97.02863	2.9
97.06478	1.4
99.00781	2.5
101.02344	6.7
106.04152	0.8
109.02843	0.7
109.06496	7.9
110.03667	0.6
110.29840	0.6
111.00785	2.5
111.04463	1.1
111.08053	0.6
113.02367	4.4
119.03448	1.2
121.06531	0.7
123.08018	0.8
125.02335	0.6
125.09637	4.8
127.07687	0.8
127.11199	4.4
134.09947	0.6
135.08052	0.9
137.02376	0.8
137.09709	1.3
139.07579	1.0
143.03395	3.1
149.09633	0.9
151.11215	1.1
153.09166	1.0
155.10721	1.8
156.03937	0.7
161.04500	2.3
161.09610	1.4
163.11221	8.5
165.09097	1.6
167.10695	0.8
169.12347	1.0
171.10223	80.4
172.10564	3.5
173.04535	0.7
179.05568	1.3
179.10733	1.5
181.12393	3.2
183.10239	1.2
185.11859	4.0
189.09123	2.8
197.11819	2.7
199.09747	1.8
199.13350	1.7
201.11310	50.2
202.11633	1.3
207.10249	28.1
208.10619	1.5
209.11859	2.2
215.12947	3.3
225.11328	54.2
226.11739	3.4
227.12860	2.4
231.34824	0.7
235.08234	3.9
243.12318	2.9
253.09314	16.6
254.09659	1.2
255.12288	1.2
257.24927	0.7
277.21777	100.0
278.22101	9.6
293.21326	3.2
295.10489	3.2
295.13412	0.7
295.22891	0.9
299.15347	0.9
405.17664	1.7
407.19016	1.0
443.19339	4.1
443.31628	1.3
461.20410	12.8
462.20535	1.2
472.09326	0.6
479.21112	2.2
568.67694	0.6
569.11456	0.8
721.42145	4.9
722.41901	0.9
739.42120	3.0
740.42401	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	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03335	0.8
59.01266	6.9
61.98720	0.3
69.03342	0.6
70.84967	0.3
71.01275	5.4
71.04900	2.1
71.37028	0.7
71.75170	0.4
72.99204	0.5
73.02850	0.8
83.01302	0.7
83.04910	0.6
85.02835	0.9
87.00781	0.4
89.02334	3.4
95.01298	0.6
95.04929	0.4
97.02863	3.2
97.06499	1.3
99.00776	11.4
101.02343	3.1
108.07536	0.3
109.06493	1.3
110.03652	0.9
113.02353	2.5
119.03449	0.5
123.08082	1.1
125.09657	4.3
127.11189	1.2
135.08093	0.4
136.05157	0.4
142.02733	0.7
143.03461	0.4
145.10135	0.4
153.12776	0.8
161.04492	0.9
161.09595	0.4
163.11234	6.0
171.10252	3.7
175.34387	0.3
181.12300	13.8
182.12645	0.6
197.11794	1.5
199.13377	21.3
200.13696	1.4
201.11313	2.2
207.10254	26.7
208.10558	1.8
225.11320	47.4
226.11726	2.5
235.08191	1.0
243.12404	13.3
244.12721	0.8
253.09280	2.2
277.21783	31.4
278.22076	3.1
290.77124	0.3
317.16180	0.5
318.29846	0.4
443.19257	0.6
461.20361	7.8
462.20816	1.2
479.21194	2.5
607.19684	0.4
721.41736	3.4
722.42487	0.9
732.22223	0.4
739.42889	100.0
740.43207	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91836	0.4
53.91209	0.4
55.01774	0.7
57.03341	0.9
59.01262	7.3
63.55785	0.4
69.03311	0.6
70.46493	1.3
71.01268	7.3
71.04925	2.7
71.25110	0.5
73.02835	1.3
78.95819	0.4
81.03386	0.6
81.45075	0.5
83.01279	0.8
83.04916	0.5
85.02853	1.2
86.93526	0.4
87.00774	1.5
89.02325	2.7
92.27403	0.4
95.01295	0.7
95.04938	0.8
97.02841	4.7
97.06483	2.0
99.00775	11.4
101.02339	4.1
109.06495	1.8
110.03642	0.9
111.04375	0.5
113.02348	2.3
115.03786	0.5
119.03426	0.7
121.91042	0.4
123.08095	1.5
125.09636	6.3
127.11197	0.7
136.05193	0.5
142.02577	1.0
145.04982	0.8
155.14357	0.6
161.04509	1.5
161.09651	0.8
163.11230	7.6
171.10220	6.6
181.12299	11.6
182.12682	0.7
197.11806	2.2
199.13394	9.9
200.13545	0.5
201.11310	4.0
207.08728	0.6
207.10249	27.6
208.10583	1.8
225.11316	46.7
226.11667	2.6
233.22751	0.6
235.08171	1.7
243.12413	7.0
253.09241	4.4
277.21774	73.3
278.22134	6.4
443.19238	2.1
454.38852	0.5
461.20352	6.7
462.21039	0.7
479.21609	1.0
577.37329	0.6
598.68433	0.6
721.41718	6.3
722.42468	1.2
739.42847	100.0
740.43158	24.7
765.52069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.7
57.03336	0.7
58.00494	0.9
59.01264	7.8
61.98718	0.9
69.03355	0.9
70.11085	1.5
71.01270	13.4
71.04910	0.3
71.86652	0.3
72.99193	0.7
73.02829	3.6
78.95803	1.0
79.95647	0.4
81.03358	0.7
82.40168	0.3
83.01280	1.2
83.04917	1.4
85.02849	2.9
87.00768	2.5
89.02345	3.7
95.01286	1.1
95.04924	1.8
97.02847	2.1
97.06512	0.7
98.19834	0.4
99.00784	1.1
99.04408	0.6
101.02345	4.6
109.02859	0.5
109.06504	5.1
110.03657	0.7
111.00781	1.3
111.04436	0.6
111.08092	0.7
113.02374	3.2
119.03442	0.9
121.06460	0.5
122.98476	0.5
123.20235	0.3
125.02341	0.5
125.09656	2.4
127.11217	2.7
131.03427	0.4
137.02367	0.7
137.09668	0.6
139.07578	1.2
139.11217	0.4
141.01849	0.4
143.03473	2.2
145.04999	1.0
149.09790	0.4
149.42482	0.4
151.11292	0.5
152.99498	0.4
153.09172	0.7
155.10701	1.7
161.04532	2.1
161.09654	0.8
163.11243	4.8
165.09138	0.8
169.12251	0.6
171.10223	59.2
172.10571	2.8
173.04567	0.5
179.05661	0.7
179.10728	1.1
181.12286	2.1
183.10147	0.9
185.11810	2.1
189.09195	1.8
195.19983	0.3
197.11852	1.1
199.09795	1.5
199.13412	2.3
201.11302	27.4
202.11662	1.5
207.10248	18.3
208.10643	1.3
209.11763	1.3
211.13380	0.6
215.12920	2.3
225.11333	41.0
226.11652	2.7
227.12901	1.7
235.08234	5.8
235.10449	0.5
243.12395	1.8
253.09331	12.4
254.09773	0.6
259.20676	0.4
275.20114	1.0
277.09610	1.8
277.21783	100.0
278.22137	9.4
293.21268	3.0
295.10437	2.1
299.15295	0.4
345.96768	0.4
373.39923	0.4
407.19312	1.0
428.05072	0.4
443.19193	2.1
461.20508	6.4
461.33020	0.3
462.21082	0.9
479.21426	0.7
485.32513	0.4
513.31049	0.6
555.31653	0.7
721.41840	4.2
722.42444	1.0
739.42389	1.7
740.42651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	0.3
59.01264	18.7
60.01591	0.2
69.03363	0.1
69.38058	0.5
69.38476	0.3
70.61053	0.1
80.04930	0.2
81.03348	5.7
82.03696	0.1
83.04914	15.6
83.46013	0.1
84.05254	0.4
90.88855	0.1
94.07786	0.1
97.02867	0.1
100.07589	0.3
107.06052	0.4
108.04484	0.4
125.07132	1.1
126.05539	0.4
143.08151	0.5
144.12321	0.1
157.13364	0.1
173.04459	0.2
178.99800	0.4
181.17143	0.1
188.64276	0.1
191.05420	0.1
199.18100	0.3
207.15015	1.4
222.16068	0.2
224.17664	2.7
224.19728	0.2
225.16087	15.1
226.16437	0.9
242.18748	0.8
250.15552	0.1
261.68805	0.1
268.16736	0.3
290.22476	0.3
291.20807	0.1
291.36462	0.1
307.24042	0.1
309.21805	0.8
310.22574	0.2
324.26624	0.6
333.23032	0.7
341.29279	0.9
350.24588	0.1
351.23947	0.1
367.27246	1.5
368.27478	0.1
385.28366	0.3
390.31329	0.1
407.34009	0.3
433.31934	1.1
434.32288	0.2
450.34650	1.3
451.32999	9.1
452.33264	1.5
468.35706	0.2
535.38922	0.2
550.43427	1.0
551.43774	0.2
559.39716	0.3
565.44489	0.3
567.46014	0.1
593.43451	0.7
659.48712	2.2
660.49335	0.5
677.49817	100.0
678.50134	23.3
727.57648	0.1
737.24225	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69138	0.4
59.01266	6.0
61.51024	0.5
61.98717	44.9
62.98398	0.5
65.80214	0.5
71.01261	3.8
71.59002	0.5
72.01601	0.5
79.68839	0.5
80.02559	1.2
81.03337	0.8
83.04919	3.8
84.02055	0.7
85.02837	0.9
87.00781	2.1
88.00278	0.6
89.02321	2.0
91.82828	0.4
93.03328	0.6
96.95918	0.9
101.02368	2.3
113.02388	1.7
113.09676	0.7
117.62540	0.5
125.05987	0.9
135.08037	0.7
140.28297	0.5
141.01588	0.5
161.04526	1.1
163.11188	3.3
165.12802	2.0
169.12335	0.8
171.10223	1.1
173.04541	0.6
173.16017	0.5
179.05598	0.7
181.12292	0.8
183.13824	0.6
191.10760	0.9
195.13901	3.6
199.13409	1.0
207.10310	0.5
209.11818	100.0
210.12148	6.1
211.13394	1.3
223.13399	2.7
225.11293	0.9
227.12881	12.8
228.13293	0.8
235.08235	2.8
235.17133	0.6
253.09312	13.7
254.09630	0.6
256.12994	0.7
275.20160	4.8
277.21780	1.6
293.21295	53.0
294.21613	5.0
445.20834	1.5
739.42255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
55.54160	0.3
57.03334	0.6
58.00477	1.1
59.01265	100.0
60.01595	1.2
60.71724	0.3
61.98714	0.3
66.56722	0.2
69.03339	1.6
70.19919	0.3
71.01272	39.1
71.58346	0.3
71.58875	0.5
72.01601	0.8
72.99200	1.3
73.02837	42.8
73.16148	0.3
74.03184	0.7
75.00764	1.1
81.03348	0.5
83.01279	13.7
85.02853	3.5
87.00762	0.9
88.98707	0.3
89.02341	8.8
93.03383	0.3
95.01314	1.4
96.95940	0.6
97.02839	1.2
99.00726	0.6
99.04439	0.5
101.02349	42.8
102.02651	0.7
113.02359	15.6
114.02689	0.3
114.41969	0.3
119.03428	5.2
125.02388	1.5
131.03444	4.2
135.04509	0.3
143.03429	4.6
147.02959	0.3
149.04497	9.4
151.00273	0.4
155.03416	1.6
161.04503	15.1
162.04816	0.4
168.49388	0.2
173.04433	0.6
179.05600	0.4
180.68289	0.3
191.05486	0.8
191.63849	0.3
197.14182	0.3
202.84367	0.3
203.05643	2.5
221.06667	5.2
236.37236	0.3
270.17825	0.3
316.36200	0.3
357.63031	0.3
409.93268	0.3
454.81354	0.3
480.56381	0.3
671.61285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.6
60.01603	0.1
61.01716	0.0
61.98716	100.0
62.98412	0.2
62.99149	0.0
67.11636	0.0
71.01277	0.6
71.59043	0.0
72.01617	0.1
72.99210	0.1
73.02843	0.1
81.03337	0.0
82.15669	0.0
83.01305	0.1
83.04912	0.0
85.02864	0.1
87.00801	0.2
89.02328	0.5
90.02673	0.1
91.02770	0.0
97.02879	0.1
99.00761	0.0
101.02359	0.4
102.02715	0.1
103.02759	0.0
113.02348	0.2
114.02743	0.1
119.03442	0.1
125.02358	0.1
132.29070	0.0
140.38736	0.0
143.03419	0.1
144.03748	0.0
155.47771	0.0
161.04532	0.1
165.12849	0.0
179.05592	0.1
195.13844	0.0
202.26506	0.0
207.10306	0.0
209.11821	1.2
209.13789	0.1
223.13406	0.0
225.11484	0.1
227.12912	0.2
235.08272	0.1
236.08604	0.1
237.08672	0.0
253.09314	0.2
275.20447	0.0
277.21768	0.7
278.22168	0.7
279.22446	0.4
280.22885	0.1
287.07880	0.0
293.21292	0.5
310.73465	0.0
355.48483	0.0
397.13544	0.5
398.13934	0.6
399.14124	0.8
400.14377	0.5
415.14798	0.2
416.14963	0.2
417.15063	0.3
418.15628	0.1
659.01611	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41948	0.1
59.01262	0.7
61.98716	100.0
62.98419	0.2
70.91837	0.1
71.01272	0.5
72.01611	0.1
73.01682	0.1
73.02836	0.1
85.02862	0.2
87.00793	0.1
89.02328	0.4
90.02673	0.1
99.05865	0.1
101.02347	0.4
103.02828	0.1
113.02379	0.2
119.03443	0.1
124.84605	0.0
125.02370	0.1
143.03471	0.1
153.14328	0.1
161.04497	0.1
179.05675	0.1
235.08301	0.1
236.08740	0.1
237.08731	0.1
277.21780	0.6
278.22183	0.8
279.22330	0.4
280.22775	0.1
285.94513	0.1
292.25812	0.1
293.21384	0.1
397.13559	0.5
398.13986	0.7
399.14133	1.0
400.14413	0.6
415.14865	0.1
416.15060	0.2
417.15134	0.4
418.15637	0.1
431.46991	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03325	0.8
58.00483	0.5
59.01263	5.9
65.11288	0.3
67.01778	0.5
69.03340	4.1
70.45512	1.0
71.01279	5.9
71.04910	1.1
72.99226	0.4
73.02837	1.4
75.23102	0.3
79.84887	0.3
83.01288	0.4
83.04902	0.6
85.02843	1.4
86.62669	0.3
87.00770	1.4
89.02335	3.1
95.01302	0.6
97.02862	0.7
97.06486	0.9
101.02357	4.1
111.04442	0.6
113.02356	2.1
119.03436	0.5
123.08054	1.1
125.02309	0.4
125.09599	1.8
137.09737	0.5
149.09689	0.4
151.11206	3.3
153.12805	1.2
155.13242	0.3
161.04541	1.0
161.09668	4.1
162.09961	0.5
165.49979	0.3
169.12305	3.6
171.10152	0.4
179.10735	7.7
180.11105	0.4
197.11809	47.6
198.12175	3.4
210.62677	0.3
223.09753	1.3
225.11177	0.3
233.22772	0.4
235.08202	0.6
241.10803	1.9
253.09364	2.6
259.20694	0.4
277.21777	63.7
278.22128	6.0
344.92725	0.3
459.18787	0.8
477.19775	1.1
737.41327	100.0
738.41699	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
56.93700	0.6
57.03331	2.1
58.00497	0.9
59.00989	1.1
59.01266	12.9
61.98731	1.4
67.01794	1.1
68.99702	5.7
69.03348	4.0
71.00897	1.3
71.01270	19.6
72.99203	2.5
73.02847	2.1
75.00786	0.9
78.95797	2.2
81.03333	1.3
83.01287	3.1
83.04920	5.5
83.44217	0.6
85.02862	3.1
87.00772	4.0
89.02328	5.3
91.03893	0.7
93.03369	0.8
95.01292	2.3
95.04952	1.4
97.02827	3.8
97.06494	3.1
99.00774	2.1
99.04434	1.0
101.02337	8.3
106.04098	0.6
107.04902	1.7
108.02078	0.7
109.02856	1.5
109.06490	1.7
110.03645	6.4
111.00783	1.4
111.04428	33.0
113.02351	4.7
119.03408	1.8
122.03653	1.7
123.04424	3.5
123.08090	3.8
125.02367	1.1
125.06007	2.4
125.09653	7.3
127.11196	1.0
133.06532	0.8
135.08070	1.4
137.09647	1.3
141.01836	2.0
143.03448	0.7
149.06036	1.1
149.09689	1.2
151.11203	6.2
153.09134	3.1
161.04555	1.6
161.05905	0.7
161.08430	1.2
161.09666	13.6
162.10153	0.7
163.07645	1.2
165.09105	0.7
169.12306	1.0
171.10222	44.1
172.10617	1.5
177.09181	6.1
179.05591	2.0
179.10748	23.1
180.11105	1.3
181.08583	0.9
181.12241	0.8
185.11775	4.6
187.07637	1.4
187.09752	1.1
195.10286	3.4
197.11798	8.5
199.09726	2.4
205.08687	25.0
206.08949	1.2
207.10280	2.4
209.11777	1.7
213.11290	8.8
223.09761	90.9
223.13358	2.4
224.10168	5.0
224.13641	1.5
225.11336	3.9
225.13475	0.6
229.30869	0.9
235.08173	3.9
241.10809	6.1
253.09326	17.5
254.09639	1.5
277.21780	100.0
278.22128	9.3
293.21130	3.4
294.21445	1.7
297.13602	0.8
299.15005	1.7
309.20532	1.0
309.72485	0.7
407.19257	1.8
419.19241	1.8
431.18991	0.7
439.32227	0.9
441.17697	7.6
442.17963	1.0
449.20392	1.0
458.95120	0.7
459.18826	17.9
460.18948	2.0
461.20578	1.1
477.19696	1.8
483.31195	0.9
513.30688	0.7
693.39111	1.2
701.39636	1.3
719.40216	19.0
720.40509	4.7
737.41302	20.1
738.41663	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	737.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47599	0.3
55.01773	0.7
57.03329	0.8
59.01265	4.9
59.33749	0.3
62.49070	0.3
69.03346	3.7
71.01276	4.4
71.04906	1.7
73.02851	0.9
78.28437	0.4
79.08809	0.3
81.03373	0.6
83.01273	0.6
83.04901	0.5
84.26934	0.3
85.02839	1.3
85.65433	0.4
87.00756	0.9
89.02337	2.4
95.01279	0.4
95.04892	0.4
96.80816	0.4
97.02854	0.7
101.02350	3.9
111.04403	0.6
113.02357	2.0
119.03400	0.5
123.08076	1.0
125.09640	1.7
151.11218	2.0
153.12790	2.1
161.04514	1.1
161.09657	2.7
169.12292	1.6
179.10736	5.6
180.11038	0.4
197.11813	90.2
198.12157	5.0
223.09808	1.9
229.45345	0.4
235.08157	0.6
235.88297	0.3
241.10799	4.3
253.09232	3.2
255.23178	0.4
277.21783	27.7
278.22092	2.1
369.68979	0.3
459.18793	0.8
477.19971	2.7
496.35574	0.4
614.44287	0.4
719.40674	0.8
737.41333	100.0
738.41650	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	737.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39656	0.2
57.03336	2.7
59.01260	1.4
61.98712	0.6
63.02288	0.6
65.00230	0.3
69.03361	0.3
72.20672	0.2
77.48466	0.2
82.02442	0.3
83.01273	0.7
85.02863	0.4
89.02312	0.3
93.03352	0.6
95.01289	0.3
96.95914	1.5
99.04433	0.2
101.02333	0.6
107.01305	1.4
125.02351	0.4
132.02107	1.0
135.00819	0.9
135.04485	0.3
151.00319	3.1
152.01021	0.3
163.00308	1.0
164.01091	0.7
169.01404	0.5
171.04433	0.3
173.04517	0.8
178.99811	1.0
180.74960	0.2
183.04486	0.5
185.06039	0.4
187.03990	0.6
190.99834	0.3
191.05573	0.5
195.04652	0.3
199.04041	0.4
200.04817	0.4
211.03990	1.7
213.05492	0.4
227.03505	38.4
228.03888	2.7
229.05133	1.3
239.03706	0.7
241.04976	0.5
243.02838	0.2
255.03033	74.8
256.03540	9.3
257.04507	1.6
281.04562	0.3
283.02582	1.6
284.03329	100.0
285.03922	17.3
286.04321	1.1
309.03888	0.4
326.04453	0.3
327.04980	0.6
339.04996	0.2
429.08450	0.5
441.08801	0.2
593.15240	30.8
594.15582	5.3
635.16309	32.8
636.16669	6.1
675.19446	13.8
675.28802	0.2
676.19861	3.0
677.17578	0.5
737.19446	8.9
738.19336	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	734.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48332	0.3
59.01264	8.1
60.73936	0.3
61.98716	23.8
62.88698	0.3
69.03344	0.8
69.66521	0.3
70.17329	1.6
71.01276	1.9
73.02813	1.1
77.53862	0.3
78.95784	0.4
83.01275	0.8
85.02843	0.9
87.00777	0.8
89.02341	1.2
93.03358	0.8
95.01299	0.4
96.95909	1.0
101.02337	1.5
105.03309	0.4
113.02356	1.3
113.41407	0.4
115.01763	0.4
117.03396	0.9
123.04459	0.5
132.02060	2.2
133.02879	36.1
134.03198	1.1
135.04454	5.1
143.03441	0.4
145.02847	0.4
160.01581	0.4
161.02386	100.0
162.02733	4.8
164.63525	0.4
173.04559	1.9
177.01901	2.8
179.03435	2.6
191.05629	1.0
277.08704	0.4
284.98196	0.4
615.77399	0.4
629.17456	4.1
630.17743	0.5
671.18457	41.7
672.18835	7.7
733.31567	0.4
735.21588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
57.74613	0.3
59.01263	5.1
61.98713	0.4
63.74195	0.3
69.03365	1.5
70.06017	0.3
71.01271	3.9
71.04900	0.8
71.58463	0.5
71.58840	0.5
72.99196	0.4
73.02829	0.6
78.95809	0.4
83.01269	0.4
83.04882	0.4
85.02843	1.0
85.06474	0.4
87.00740	0.8
89.02332	2.6
90.18017	0.3
93.03374	0.6
95.04920	0.8
101.02339	3.0
109.06551	0.6
111.08077	0.6
113.02361	1.8
119.03442	0.9
135.57872	0.3
143.03491	0.3
145.05017	0.4
149.09651	0.7
152.99582	0.3
153.09161	0.4
161.04500	1.7
167.10730	2.8
173.04538	0.5
177.12799	0.8
179.05539	0.6
179.10760	1.2
179.14374	3.6
184.60919	0.3
195.13879	15.7
196.14389	1.0
205.12315	8.9
206.12715	0.6
211.13377	0.4
223.13394	100.0
224.13727	6.4
225.14931	0.5
228.13538	0.7
231.21234	0.5
235.08276	4.1
250.68500	0.3
253.09320	17.7
254.09723	0.6
255.23291	0.3
256.13184	0.8
265.21744	0.7
275.20193	5.1
277.21729	1.0
293.21286	81.1
294.21600	8.4
397.13733	0.8
441.21387	0.7
459.22464	11.9
460.22748	1.2
492.22632	0.4
499.34656	0.9
511.29727	0.5
529.30627	1.7
735.42163	1.8
736.43781	0.4
758.22711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26352	0.2
55.01763	0.3
57.03329	0.9
59.01261	5.9
69.03337	2.3
69.57769	1.4
71.01269	4.1
71.04911	0.7
72.99196	0.3
73.02837	0.8
75.09594	0.2
78.95755	0.3
81.31457	0.2
83.01271	0.5
83.04920	0.6
84.50587	0.2
85.02845	1.0
85.06468	0.5
87.00784	1.0
89.02334	2.4
93.03381	0.2
95.01292	0.4
95.04928	0.7
97.06513	0.2
99.00764	0.3
101.02344	3.8
105.87005	0.2
109.06512	0.6
111.08071	0.4
113.02356	2.1
113.09606	0.2
119.03426	0.9
124.46863	0.2
125.02289	0.3
125.09661	0.2
133.05032	0.2
135.11723	0.4
141.01718	0.2
141.09216	0.3
143.03447	0.5
145.05009	0.5
149.09665	0.8
161.04492	1.5
161.13274	0.3
163.94278	0.2
167.10704	3.6
169.14742	0.2
177.12773	0.8
179.05554	0.9
179.10750	1.2
179.14354	4.3
179.15842	0.3
180.14664	0.3
181.12201	0.2
195.13876	17.1
196.14325	1.3
203.10571	0.2
205.12321	10.6
205.15753	0.5
206.12656	0.5
210.05478	0.2
211.13425	0.6
223.13390	100.0
224.13731	6.5
225.14886	0.8
228.13696	0.6
231.21234	0.4
235.08264	3.6
236.08479	0.2
253.09309	16.3
254.09763	0.4
256.13287	0.7
265.21851	0.4
275.20203	5.1
276.20551	0.6
277.21771	0.7
293.21283	78.4
294.21606	7.5
397.13123	0.4
441.21191	0.6
459.22461	12.5
460.22421	1.5
492.22336	0.4
499.34116	0.8
500.34619	0.3
529.30402	1.7
530.31213	0.3
578.87439	0.2
666.36176	0.2
735.43463	1.6
736.44470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.1
61.24802	0.2
61.98717	100.0
71.57935	0.2
80.96381	0.2
126.88976	0.2
171.10236	2.2
172.10591	1.1
173.10791	0.5
174.10971	0.2
229.27084	0.2
229.67030	0.2
266.34232	0.2
277.21826	1.4
278.22104	2.4
279.22482	1.0
280.22720	0.5
286.04596	0.2
318.39056	0.2
345.80478	0.2
608.51935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.2
59.68848	0.1
60.14801	0.1
61.98717	100.0
62.98416	0.2
64.90364	0.1
70.73883	0.4
71.01279	0.2
78.95824	0.1
79.95576	0.2
80.96417	0.6
94.97997	0.3
104.87068	0.1
122.69196	0.1
144.53714	0.1
152.59654	0.1
165.78333	0.1
171.10234	4.5
172.10562	2.4
173.10747	1.0
174.11099	0.3
253.09570	0.1
254.09682	0.1
277.21835	1.0
278.22110	1.5
279.22455	0.7
280.22754	0.3
281.13885	0.1
323.74219	0.1
397.19473	0.1
410.20352	0.1
630.56915	0.1
731.37030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49547	0.2
55.01760	0.2
59.01263	19.6
69.03371	0.2
71.01266	2.3
71.13805	0.6
72.99205	0.2
73.02830	0.6
83.01268	0.3
85.02841	0.6
87.00784	0.5
89.02336	1.7
101.02344	2.3
113.02363	0.8
119.03417	0.3
119.23280	0.2
125.09634	0.7
127.11190	1.6
152.99529	0.7
153.09116	0.3
161.04474	0.9
171.10220	88.7
172.10562	4.0
179.05612	0.5
186.98538	0.2
235.08229	3.5
251.47400	0.2
253.09305	6.5
255.23325	1.0
267.32675	0.2
277.21771	100.0
278.22116	9.2
389.18283	0.4
407.19278	1.5
513.30750	1.5
514.31000	0.3
637.37024	0.4
709.38776	0.5
727.42535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	7.6
60.74528	0.7
61.98716	1.1
71.59486	0.9
75.00758	1.0
78.91767	2.8
78.95811	1.4
79.83117	0.9
87.24576	0.9
91.61762	0.7
105.22565	0.8
125.01952	0.9
152.99495	1.1
204.77733	1.0
255.23111	1.3
329.76218	0.9
334.81873	0.9
438.09753	1.4
439.10220	1.0
442.16501	2.5
453.12079	1.9
455.17523	10.5
456.17975	2.3
457.18839	13.1
458.19122	3.1
459.16797	1.1
468.10629	1.7
469.11621	3.1
470.16730	1.1
473.18411	12.5
474.15152	2.5
474.19290	1.9
481.11469	1.8
483.13040	2.2
485.18448	6.8
486.18591	1.4
496.13925	8.9
497.14133	3.1
510.15500	2.3
511.16193	12.8
512.13342	22.5
513.13788	7.8
513.20947	1.7
515.19916	1.0
519.12476	0.9
526.15088	13.8
527.15723	16.2
528.16351	4.5
529.17627	1.7
560.15070	1.9
583.18500	7.8
584.18707	2.4
597.20093	3.5
598.20099	0.9
599.21942	7.4
600.21344	1.7
613.19159	1.6
614.20294	100.0
615.20770	40.7
615.28619	0.6
616.21454	4.9
629.22736	2.0
631.20892	1.4
645.22437	1.3
646.19238	15.2
647.19672	3.3
673.21393	5.6
674.22070	1.4
733.23553	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	727.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
57.57920	0.3
59.01265	34.9
61.98697	0.3
70.65366	1.1
71.01270	4.2
72.46134	0.2
73.02841	1.0
78.95744	0.4
83.01256	0.4
85.02859	1.1
87.00795	0.5
89.02330	3.1
91.27840	0.3
97.06490	0.7
101.02337	3.1
103.03899	0.4
113.02354	1.9
119.03433	0.7
125.09647	1.0
127.11240	2.0
133.04897	0.5
151.11240	3.9
153.09158	0.7
161.04480	1.1
169.12300	32.1
170.12604	1.5
171.10226	84.8
172.10567	3.6
179.05611	0.6
195.10435	0.3
213.11322	3.6
231.12425	3.1
235.08217	1.0
241.14523	0.4
253.09317	4.3
254.35062	0.3
277.21790	30.7
278.22128	2.8
407.19183	1.8
426.99158	0.3
449.20273	1.5
467.21448	2.5
508.18396	0.3
524.92529	0.3
537.23785	0.3
565.36963	0.4
709.41663	3.5
710.42194	1.0
727.42896	100.0
728.43207	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	727.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95568	0.2
52.70484	0.2
59.01266	15.6
59.10113	0.2
61.57019	0.2
69.32307	0.2
71.01264	1.8
71.13806	0.4
71.14124	0.2
73.02832	0.4
75.22133	0.2
78.95785	0.3
85.02848	0.4
89.02332	1.1
101.02340	1.5
109.65324	0.2
113.02395	0.8
119.03410	0.3
125.09634	0.9
127.11240	1.8
149.04626	0.2
152.99495	0.4
153.09181	0.3
161.04512	0.8
171.10228	100.0
172.10571	5.4
179.05540	0.2
235.08241	1.4
253.09334	6.0
254.09761	0.3
255.23337	0.7
277.21790	50.2
278.22125	5.1
407.19394	3.4
408.20026	0.3
513.30798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	36.8
69.31715	8.8
71.01274	5.2
73.02824	1.3
77.97578	0.8
78.95796	1.4
83.01289	1.0
87.00754	1.5
89.02342	1.7
101.02348	3.9
113.02397	2.1
125.02377	1.1
125.09678	0.9
151.11211	2.6
152.99471	1.1
161.04489	1.5
169.12291	26.3
170.12640	1.8
171.10217	48.1
172.10532	2.5
173.04431	1.0
191.05562	1.2
196.89697	0.8
200.88649	1.0
213.11296	1.6
225.11208	1.0
231.12360	1.8
235.08220	1.7
253.09308	3.0
269.24960	5.1
275.20410	1.0
277.21780	60.2
278.22113	5.6
295.49512	1.1
299.27054	1.0
397.13602	5.5
415.14551	1.3
467.21436	1.3
556.19647	1.7
709.41864	1.8
727.42883	100.0
728.43384	21.6
746.22821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	18.7
61.98708	7.3
69.03343	5.1
69.91003	12.8
71.01276	8.2
78.75778	1.8
85.02843	4.4
85.84174	1.9
87.00772	3.2
89.02358	6.4
98.19663	1.9
101.02357	5.5
102.78871	2.3
113.02353	4.1
151.50655	3.0
159.27336	2.4
165.42957	2.2
173.04506	4.3
185.00958	2.3
191.05640	4.3
195.13895	4.9
201.11296	4.2
223.13416	3.9
225.11328	2.3
235.08253	3.6
253.09363	2.2
275.20410	2.2
277.76129	2.6
293.21286	100.0
294.21597	12.3
309.20712	2.2
397.13568	33.0
415.14716	41.6
416.15161	5.9
523.32660	4.3
548.55902	2.4
691.35675	22.2
692.35529	2.9
727.33136	64.8
728.33521	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	727.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	26.6
61.98711	35.1
68.61953	2.6
69.03337	9.1
71.01273	15.5
71.57517	3.6
71.57924	4.8
72.99189	3.8
73.02804	4.5
78.95779	2.8
83.04891	3.1
85.02818	6.7
87.00776	6.0
89.02344	13.5
93.03357	3.8
96.02582	2.7
96.95892	5.9
97.02828	5.5
99.00776	3.9
101.02324	9.8
110.42419	2.8
113.02354	9.6
114.94738	3.1
117.03405	3.3
119.03373	4.4
125.02322	3.7
145.02867	12.4
160.01555	3.1
161.04500	2.9
163.04016	3.1
163.45181	2.9
171.10117	4.4
173.04471	5.8
179.05487	3.3
185.00896	6.4
191.05453	4.0
197.11795	3.4
209.11972	4.0
222.62761	3.2
225.11369	4.6
227.12746	3.3
235.08139	4.1
235.16989	17.5
275.20221	21.1
293.21295	76.7
294.21616	10.3
323.13004	5.1
397.13620	83.9
398.14008	11.3
415.14691	39.0
416.14832	3.2
528.00513	3.2
673.34528	6.5
691.35352	9.9
692.36273	4.2
697.19598	3.3
727.33264	100.0
728.33282	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	725.39
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.7
71.01270	3.7
71.56762	2.2
73.02862	2.5
78.95795	52.7
96.96848	3.6
103.08904	1.7
109.06509	3.8
125.09612	3.3
127.11187	3.2
152.99527	74.6
155.10715	2.0
163.11197	4.7
171.00595	8.7
171.10223	100.0
172.10594	4.0
172.92670	1.8
181.12331	4.0
199.09740	7.1
201.11273	7.9
207.10254	10.6
209.11801	19.0
210.12166	11.4
215.12912	3.6
225.11337	16.8
226.11687	2.9
227.03217	7.3
227.12666	2.8
229.14450	7.3
243.12341	5.9
245.04375	2.6
253.21747	22.4
255.23401	3.7
261.13586	3.7
277.21774	21.3
278.22156	12.0
279.22839	6.6
335.09357	2.2
379.11960	3.7
397.12466	3.3
399.14313	54.6
400.14767	2.8
401.87354	1.7
409.12924	2.1
427.13666	3.4
432.91302	2.0
453.15408	12.2
471.16455	36.3
472.16861	3.1
489.17648	14.1
490.17664	2.2
584.64465	2.1
600.23517	2.2
619.13153	1.9
635.35748	37.8
636.36102	7.6
663.35217	2.5
689.36292	4.3
704.29724	2.5
707.37872	33.3
708.38428	7.9
725.38800	20.4
726.39294	3.9
752.55914	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	725.398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
59.01266	28.6
61.98716	4.0
69.03346	2.6
69.39295	8.4
71.01270	26.1
72.99200	1.6
73.02836	3.1
76.03088	0.9
81.03347	1.8
83.01282	2.7
85.02843	5.4
87.00780	5.3
89.02335	22.1
95.01276	1.4
97.02856	3.9
98.72036	1.0
99.00793	1.4
101.02347	21.7
113.02351	12.2
119.03443	5.5
121.02841	1.1
125.02380	8.6
131.03456	1.4
143.03452	3.5
161.04446	5.3
171.10161	1.4
173.04468	1.3
178.01636	1.1
179.05573	3.6
209.11839	1.6
210.12187	1.1
213.11247	1.4
220.95155	1.0
221.06670	1.4
235.08267	9.1
253.09395	2.5
267.23340	71.9
268.23654	6.9
277.21866	1.5
278.50278	1.1
287.07800	4.1
293.21310	1.6
294.21597	1.3
305.08795	4.0
362.58408	1.3
397.13605	100.0
398.13977	7.7
415.14676	32.5
416.15161	2.7
440.97086	1.0
453.79456	1.0
461.82916	1.2
484.87775	1.1
531.71130	1.1
596.63141	1.2
640.95679	1.3
665.37799	4.5
747.44202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05959	0.6
57.03332	1.5
59.01265	9.3
59.12431	0.6
61.98703	1.8
62.57985	0.6
69.03345	0.8
69.45218	2.2
69.45639	3.5
70.81594	0.7
71.01264	5.8
73.02840	0.9
83.01257	1.0
85.02823	1.4
87.00768	1.2
89.02344	4.0
95.04884	1.0
97.06511	3.7
101.02343	4.8
113.02341	3.0
119.03370	1.0
120.30934	0.6
121.10132	0.6
145.04939	0.8
151.11218	12.8
152.11551	1.0
154.57002	0.7
161.04559	1.3
169.12296	79.8
170.12630	4.9
171.10194	1.7
195.10233	2.0
195.13899	4.3
205.12392	1.2
209.11919	0.9
210.12314	0.7
213.11284	10.8
223.13286	1.9
231.80338	0.7
235.08208	1.7
253.09331	4.1
254.09651	0.7
275.20175	2.7
277.21829	0.9
277.61121	0.8
279.23529	1.5
280.23621	1.9
293.21283	12.2
294.21643	0.9
338.44748	0.7
397.13699	1.8
398.13812	1.6
399.14120	1.8
431.19217	1.9
449.20444	4.9
494.05905	0.6
725.41315	100.0
726.41675	23.7
726.53125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
57.03334	0.2
58.00481	0.2
59.01261	2.7
66.90914	0.1
69.03349	0.1
71.01266	2.2
71.04881	0.2
72.99197	0.2
73.02820	0.5
73.72409	0.1
75.99518	0.1
78.50034	0.1
78.95788	0.6
80.02564	1.0
81.03341	1.1
81.19433	0.1
83.01265	0.4
83.04916	4.0
84.02065	0.7
84.05235	0.1
85.02835	0.5
87.00758	0.3
89.02328	1.7
92.24856	0.1
93.03379	0.2
95.01285	0.2
95.04922	0.5
97.02838	0.2
97.06451	0.1
99.00762	0.2
101.02342	2.0
109.06494	0.4
111.08036	0.1
113.02359	1.0
115.03911	0.1
119.03403	0.5
125.05978	0.4
125.09585	0.1
131.03371	0.1
135.08061	0.6
140.24706	0.1
143.03433	0.3
145.04965	0.1
147.11720	0.2
152.99518	0.7
153.08983	0.1
155.10718	0.1
161.04543	0.7
161.09604	0.1
163.11241	3.2
164.11540	0.3
165.12810	2.2
165.14105	0.2
166.13103	0.2
169.31686	0.1
179.05588	0.4
179.10612	0.1
181.12360	0.5
191.10756	1.2
199.13315	0.3
207.10316	0.4
209.11812	100.0
210.12158	7.0
223.09669	0.1
225.11340	0.3
227.12886	10.9
228.13191	0.7
233.22714	0.1
235.08255	1.2
251.13023	0.1
253.09326	7.2
253.21782	0.1
254.09631	0.4
259.20724	0.1
275.20215	0.3
277.21774	48.5
278.22116	4.9
279.23309	0.5
445.20776	1.1
446.21008	0.2
463.21774	0.2
469.14941	0.6
560.47345	0.1
705.36029	0.9
706.37323	0.2
723.43262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.1
56.63859	0.1
57.03329	0.2
58.00476	0.1
59.01267	3.0
59.98420	0.1
69.03358	0.1
71.01270	2.7
71.04900	0.1
71.58221	0.2
72.35787	0.1
72.99200	0.1
73.02830	0.7
78.95786	0.9
80.02569	0.9
81.03346	1.2
83.01284	0.6
83.04913	4.1
84.02065	0.5
84.05248	0.1
84.92233	0.1
85.02834	0.6
87.00767	0.4
89.02337	1.8
93.03350	0.2
95.01266	0.1
95.04927	0.6
96.96857	0.1
97.02826	0.2
97.06496	0.2
101.02348	2.2
107.04943	0.1
109.02120	0.1
109.06503	0.4
111.00790	0.1
111.04436	0.2
113.02360	1.3
119.03418	0.4
125.02406	0.1
125.06020	0.4
125.09630	0.2
127.07583	0.2
129.01807	0.1
135.08081	0.6
135.27287	0.1
137.09628	0.1
143.03433	0.3
145.05011	0.3
152.99542	1.4
155.10715	0.5
161.04541	0.9
161.09587	0.1
163.11246	3.3
164.11522	0.1
165.12801	2.0
171.00592	0.2
171.10234	0.2
179.05579	0.4
181.08786	0.1
181.12303	0.4
191.10825	0.9
199.13335	0.2
207.10292	0.5
209.11818	100.0
210.12155	6.1
223.09828	0.1
225.11386	0.4
226.11641	0.1
227.12894	11.1
228.13234	0.8
233.22755	0.2
235.06073	0.2
235.08234	2.3
236.08498	0.2
253.09319	7.3
253.21661	0.2
254.09581	0.3
259.20612	0.2
275.20132	0.3
276.20798	0.1
277.21774	61.4
278.22125	6.2
279.23203	0.4
286.91614	0.1
363.37497	0.1
445.20944	1.1
451.14169	0.1
463.21790	0.2
469.14966	1.0
513.30432	0.2
611.63196	0.1
705.36316	1.7
706.36694	0.3
723.41327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49466	0.5
55.01762	0.7
57.03341	1.7
58.00481	0.7
59.01266	16.4
59.32008	0.6
61.98717	3.1
69.03338	2.1
70.07422	3.2
71.01277	10.8
72.99208	0.8
73.02834	4.8
75.00782	0.6
78.95795	1.6
81.03345	3.0
83.01277	12.7
85.02844	6.7
86.54212	0.6
87.00774	0.7
89.02345	3.4
91.18263	0.5
93.03368	2.7
94.20972	0.7
95.01285	4.2
96.95931	2.3
99.00800	1.6
101.02354	5.6
108.02082	86.5
109.02887	37.2
111.01929	0.8
113.02363	3.9
117.03380	0.9
119.04901	0.6
121.02870	2.4
123.00814	2.5
123.04443	2.1
125.02367	5.9
132.02155	0.7
133.02858	1.4
134.03635	2.1
135.00771	0.9
135.04439	2.1
145.02901	3.5
151.00291	0.8
151.04013	3.0
152.01100	87.8
153.01884	33.3
154.02219	1.6
160.01608	1.8
161.02393	1.0
161.04501	1.1
163.03986	1.9
165.01859	2.8
167.03494	0.9
171.96703	0.6
172.05232	1.1
173.04506	3.1
173.06123	1.6
175.03955	3.1
177.01877	1.3
179.03474	0.9
181.05084	0.8
187.07626	1.4
189.05632	0.7
191.05615	2.1
191.07164	0.7
193.05049	2.0
195.03015	1.0
213.09233	0.7
215.07135	2.8
216.04179	0.7
217.05045	2.7
225.04048	0.6
237.56464	0.6
241.68349	0.6
257.08206	3.2
297.06421	1.0
315.07297	34.7
316.07660	3.3
357.08359	12.8
358.08679	1.4
397.11545	1.8
399.09491	2.0
423.09515	1.6
699.57709	0.7
707.22382	1.7
725.23077	100.0
726.23499	19.3
726.33734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.1
61.56022	0.4
64.73376	0.3
64.74970	0.4
71.01272	2.9
71.60102	0.5
73.02833	0.7
78.95805	2.0
80.02570	1.3
81.03362	1.0
83.01280	0.4
83.04915	4.4
84.02055	0.4
85.02834	0.9
89.02332	2.4
95.04927	0.8
101.02381	2.3
104.82850	0.4
109.06507	0.9
113.02350	1.6
119.03387	0.5
125.09650	0.5
143.03461	0.4
145.05032	0.5
152.99562	2.8
153.09067	0.3
153.12828	0.3
155.10732	0.7
161.04530	1.2
163.11250	3.4
165.12801	2.2
171.10265	0.4
172.95686	0.3
179.05609	0.5
181.12370	0.6
191.10794	1.3
195.10312	0.4
196.82698	0.3
199.13400	1.4
207.10312	2.5
208.10527	0.6
209.11816	100.0
210.12161	5.8
225.11357	3.0
226.11693	1.9
227.12909	16.3
228.13171	0.7
233.22856	0.4
235.08240	1.9
253.09319	8.2
254.09676	0.6
263.29620	0.4
264.80112	0.4
269.13995	0.4
277.21780	52.9
278.22153	6.6
279.22989	1.3
382.69565	0.4
445.20703	1.6
446.92239	0.3
451.14041	0.4
463.21490	1.1
469.14844	2.0
550.20135	0.4
603.89862	0.4
705.35925	2.7
706.36475	0.8
709.31909	0.5
723.41241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	13.3
68.81403	0.4
69.03329	0.6
71.01273	9.8
71.38622	0.7
72.99206	0.6
73.02819	1.1
78.95798	0.9
80.02561	1.7
81.03349	2.1
83.01292	1.0
83.04912	2.7
85.02836	1.5
87.00759	1.2
89.02338	7.0
95.01277	1.1
95.04919	4.0
97.02858	6.0
97.06514	0.7
99.00777	1.7
99.04412	0.7
101.02341	6.3
106.04156	0.7
107.04962	0.7
109.06498	24.4
110.03629	2.2
110.06828	1.0
111.04437	1.3
113.02372	2.8
119.03400	1.1
121.06503	2.2
125.02375	0.6
125.06020	0.5
125.09653	1.0
131.03326	0.6
135.08104	3.7
142.02638	1.5
145.95470	0.5
147.08134	0.8
151.11226	0.6
153.12715	0.6
161.04506	2.1
161.09633	2.4
163.11235	19.6
164.11584	1.3
165.09183	0.7
169.12349	0.8
179.05579	1.7
179.10753	2.1
180.11095	0.4
181.12289	3.9
189.09148	5.8
197.11781	1.1
200.76598	0.5
207.10245	88.6
208.10577	5.8
209.11807	1.5
225.11319	100.0
226.11646	5.7
233.22464	0.7
235.08247	3.2
249.11423	0.6
253.09322	15.0
254.09538	0.5
255.23322	0.7
264.95245	0.5
277.21777	74.6
278.22134	6.9
299.15039	1.8
426.60788	0.5
441.34009	0.6
443.19290	9.5
444.19571	1.7
461.20358	27.1
462.20630	2.8
485.33224	0.6
703.40649	0.8
721.41895	32.6
722.42059	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	723.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
57.03345	2.8
58.00468	2.7
59.01263	31.7
60.01600	0.5
61.98713	3.9
67.01785	0.7
69.03338	3.6
71.01267	31.8
71.04925	2.9
71.57494	0.6
72.99187	2.2
73.02840	5.0
75.00758	1.1
78.95792	1.1
80.02580	1.0
81.03336	1.9
83.01268	3.9
83.04921	4.5
85.02841	9.6
87.00775	5.5
87.04416	1.1
88.43019	0.6
89.02337	23.0
91.05445	1.2
93.03361	2.1
93.78945	0.6
95.01280	2.5
95.04929	1.5
96.95912	1.9
97.02851	5.5
97.06499	4.1
99.00795	3.2
99.04408	1.1
99.08076	0.7
101.02341	21.0
107.04939	1.2
109.02838	1.1
109.06503	9.1
111.00761	1.0
111.04424	0.9
113.02370	10.2
115.07573	1.5
119.03409	5.5
121.02814	0.6
123.04438	1.0
123.08089	1.1
125.02364	5.5
125.06001	1.6
125.09657	4.8
126.03754	0.6
127.07568	3.5
127.11211	0.9
130.93645	0.7
131.03375	0.8
133.02887	0.7
134.03635	0.9
135.04393	1.0
135.08089	2.2
137.02318	0.8
139.07552	0.8
141.01849	1.5
141.09149	0.8
143.03397	2.9
149.04465	0.8
151.00351	0.8
151.11145	0.7
153.08015	1.0
153.09161	11.5
153.12843	0.6
154.09496	0.8
155.10760	1.4
161.04523	3.8
163.03969	0.8
163.11226	4.0
165.12794	2.1
167.10716	1.0
169.12257	2.3
171.10217	19.6
171.13710	0.7
172.10533	1.2
173.04541	3.3
178.09933	2.7
179.03444	0.6
179.04192	0.7
179.05533	4.6
179.10651	0.8
181.12297	3.3
183.13904	1.4
185.04468	0.8
185.11842	4.1
191.05609	2.1
191.10689	0.9
191.14386	0.8
193.12248	1.2
197.11815	20.5
198.12181	1.0
199.13397	2.4
201.11359	5.1
207.10243	2.6
209.11819	38.8
210.12115	3.3
211.13347	13.0
215.12950	1.2
219.13849	1.0
220.93510	0.6
221.06627	1.9
223.13286	0.6
225.11296	2.9
227.03835	0.7
227.12816	2.9
235.08234	4.7
235.13428	2.7
237.14975	2.3
238.12080	1.2
242.02222	1.3
243.03058	1.3
245.00874	0.8
245.19061	1.7
249.15092	0.9
253.09280	2.2
255.06708	0.7
263.07672	0.9
263.20230	1.2
265.18155	0.7
270.01709	1.0
271.02481	2.7
271.17172	0.9
279.19766	0.7
287.07758	1.0
289.07108	0.6
289.18121	7.7
290.18570	0.7
291.06647	1.5
297.20676	1.6
298.01212	0.9
299.02036	8.3
300.02676	2.7
301.03384	1.1
301.10889	0.7
305.08838	1.5
307.19211	56.5
308.19540	4.5
323.09549	0.8
325.20255	100.0
326.20560	8.1
397.09384	1.2
397.13602	30.2
398.13995	2.1
404.19934	0.6
415.14651	40.0
416.14935	3.2
461.20569	0.8
463.08807	1.0
463.74698	0.7
569.24445	1.7
607.12805	0.9
607.93555	0.6
608.13995	7.1
609.14209	1.2
610.31592	0.6
636.26038	2.9
651.99487	0.7
663.36108	4.5
664.35889	0.7
681.37158	2.9
705.21130	2.4
705.33368	22.1
706.33661	5.1
710.05133	0.7
723.34491	16.7
724.35101	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	721.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54306	0.5
57.03328	0.5
58.00476	0.8
59.01263	14.5
69.03314	0.7
71.01270	10.4
71.04913	0.7
71.58440	0.8
72.16017	0.5
73.02835	1.6
78.95782	1.0
81.03370	0.8
83.01267	0.6
83.04916	1.8
85.02838	2.2
87.00784	1.9
89.02333	5.4
95.01258	2.6
95.04921	3.7
97.02851	4.7
97.62579	0.5
99.00794	0.7
99.04434	1.2
101.02338	5.0
101.59888	0.6
106.04180	0.8
107.04932	0.9
109.06506	10.1
109.07196	1.0
110.03647	1.7
111.04416	1.7
113.02366	3.3
119.03438	1.4
121.06497	0.5
123.86136	0.5
125.09608	0.9
135.08087	1.2
143.03462	0.8
145.04982	1.2
151.11230	0.5
152.31239	0.5
161.04526	2.6
161.09647	2.6
163.11229	10.9
169.12221	0.8
179.05545	2.2
179.10760	2.3
181.12314	2.6
189.09206	4.5
190.09555	0.5
197.11830	1.5
205.08633	0.6
207.10246	41.2
208.10609	2.7
209.11725	0.6
225.11324	100.0
226.11632	7.7
235.08237	6.1
253.09290	11.1
254.09607	0.9
255.23332	1.6
256.23798	0.8
277.21774	76.4
278.22083	7.2
299.15182	1.0
348.42313	0.6
358.32886	0.6
380.76801	0.6
442.08926	0.6
443.19229	8.6
444.19345	1.4
461.20398	20.1
462.20718	2.9
585.40875	0.5
642.71033	0.7
721.41827	18.6
722.42194	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	721.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03328	0.6
58.00471	0.3
59.01263	5.0
59.46822	0.2
63.19710	0.1
65.24516	0.2
69.03340	0.5
70.28454	0.3
70.28852	0.4
71.01267	5.0
71.04903	0.8
72.99191	0.3
73.02828	1.1
81.03349	0.5
83.01273	0.8
83.04923	0.5
85.02829	1.3
85.03269	0.2
87.00758	1.0
89.02345	1.7
93.03354	0.2
95.01290	0.5
95.04935	0.4
97.02850	7.4
97.06471	0.9
98.19820	0.2
99.00777	11.8
100.01084	0.3
100.16821	0.2
101.02335	2.8
102.14764	0.2
109.06497	1.7
110.03645	1.0
111.04405	0.3
113.02360	2.0
113.80275	0.2
119.03397	0.6
120.94519	0.2
121.06499	0.4
123.04433	0.5
123.08083	0.5
124.01585	0.2
125.02380	0.9
125.09638	3.1
126.09911	0.2
127.07600	0.3
133.04999	0.2
135.08092	1.0
136.05225	1.3
142.02649	2.7
143.03439	0.3
145.05011	0.5
145.10147	0.3
156.16438	0.2
157.04990	0.2
161.04562	0.9
161.09639	0.8
163.11227	7.7
164.11565	0.4
179.05586	0.4
179.10704	0.8
181.12299	17.3
182.12578	1.0
189.09158	0.3
197.11800	0.8
199.13406	1.6
207.10243	51.7
208.10585	2.7
225.11317	100.0
226.11652	5.4
233.22665	0.3
235.08224	1.9
239.12756	0.3
243.12402	12.6
244.12714	0.6
253.09323	2.8
255.23180	0.3
259.20816	0.2
267.12509	0.4
275.20151	0.5
277.21768	81.0
278.22116	7.1
281.13937	0.4
299.15189	0.8
317.16147	1.1
436.92490	0.2
443.19379	3.6
444.19547	0.4
461.20377	33.5
462.20682	3.4
507.59048	0.2
549.13177	0.2
577.37671	0.4
578.38306	0.2
721.41809	24.8
722.42249	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	721.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45225	1.5
57.03334	3.3
59.01274	12.0
61.98719	20.6
68.43672	1.5
69.03344	4.1
71.01266	15.4
71.04906	2.2
73.02826	4.1
80.02593	1.8
81.03336	2.6
83.04920	8.2
84.02071	2.5
85.02859	3.7
89.02331	5.6
93.03322	2.3
95.01264	2.2
95.04949	1.9
96.95918	3.4
97.02850	6.0
97.42170	1.6
99.00764	16.2
101.02327	10.1
102.02776	1.5
109.06475	2.1
113.02335	5.3
119.03460	2.1
125.09676	8.2
125.48336	1.5
135.04414	2.2
135.08081	2.4
136.92691	1.6
161.04431	1.7
163.10196	1.5
163.11255	16.3
165.12811	2.2
169.12202	1.7
171.10233	8.5
173.04494	5.3
175.03922	2.7
179.03371	1.5
181.12289	19.6
185.00787	1.8
191.05611	1.8
192.73318	1.5
197.11794	5.8
199.13376	21.8
201.11345	2.7
207.10231	34.8
209.11823	100.0
210.12161	6.5
212.73572	1.7
225.11331	58.4
226.11694	3.2
227.12920	10.6
243.12328	14.8
250.10893	3.8
253.09377	6.5
301.05133	3.0
458.55554	1.8
461.20465	5.4
479.21729	2.5
515.28705	2.8
653.31787	5.6
671.33453	4.7
685.30139	2.8
689.34045	99.6
690.34326	20.3
721.36688	53.1
722.37244	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	721.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37267	0.2
51.26340	0.2
55.01764	0.3
57.03336	0.5
58.00480	0.4
59.01263	5.4
69.03342	0.6
71.01273	3.4
71.04910	0.7
71.58797	0.3
72.99194	0.4
73.02844	0.9
75.00784	0.2
78.95797	0.6
80.02490	0.2
81.03358	0.4
83.01290	0.8
83.04917	0.6
85.02839	1.1
87.00765	1.0
88.11515	0.2
89.02332	1.6
91.03928	0.2
93.03307	0.2
95.01298	0.5
95.04926	0.6
97.02853	4.6
97.06471	1.3
99.00782	9.3
100.83755	0.2
101.02351	2.7
104.98588	0.2
109.02837	0.3
109.06502	2.6
110.03657	1.1
113.02355	1.7
119.03440	0.3
121.06535	0.3
123.04483	0.4
123.08071	0.5
123.38364	0.3
125.02372	0.5
125.09645	2.8
133.05029	0.3
135.08073	1.2
136.05214	1.0
142.02675	1.5
143.03444	0.4
145.04991	0.3
145.10175	0.3
152.99522	0.4
153.12796	0.2
160.09013	0.2
161.04510	0.9
161.09598	0.5
163.11224	5.9
163.12514	0.4
164.11597	0.4
171.10233	0.2
179.10745	0.6
181.12302	10.6
182.12675	0.7
189.09140	0.4
197.11894	0.3
199.13330	0.6
207.10251	34.7
208.10591	2.2
223.13362	0.4
225.11325	61.4
226.11678	3.1
233.22784	0.3
235.08257	2.8
237.70421	0.2
239.12976	0.3
243.12408	8.5
244.12726	0.5
253.09308	3.7
255.23331	0.7
256.23697	0.2
259.20718	0.7
267.12427	0.7
275.20074	0.3
277.21777	100.0
278.22116	9.6
281.13852	0.2
285.13483	0.3
299.15015	0.6
309.13696	0.3
317.16202	0.3
345.15417	0.5
387.16785	0.4
405.17883	0.3
443.19318	5.1
444.19638	0.6
445.15613	0.2
461.20404	6.9
462.20743	0.7
513.31122	0.4
577.37646	0.4
634.63171	0.3
721.41815	22.1
722.42242	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	721.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
57.03331	1.0
58.00486	1.8
59.01263	29.7
61.98710	4.6
65.55852	0.8
69.03345	2.1
69.69930	6.6
71.01267	25.9
72.99209	2.0
73.02830	3.7
78.95787	2.2
81.03348	1.2
83.01261	2.2
85.02854	5.0
87.00774	3.9
89.02338	27.0
95.01260	1.7
96.95881	1.5
97.02854	3.9
99.00775	1.3
101.02342	22.5
111.04364	1.5
113.02356	11.5
119.03412	7.1
121.02825	1.4
122.31778	0.9
125.02356	8.7
128.45993	0.8
133.04988	1.3
135.05571	1.0
140.05234	1.0
143.03433	4.2
149.28151	1.1
152.99551	1.0
153.98143	0.9
161.04498	5.1
167.03453	1.2
173.04454	1.3
179.05644	5.2
191.05507	1.0
209.11844	7.8
221.06831	1.3
235.08226	11.4
247.40335	1.0
253.09302	3.9
255.23285	1.9
263.20206	63.3
264.20566	4.7
287.07761	4.5
293.21301	2.2
305.08731	4.1
323.09659	1.4
397.13574	100.0
398.13989	6.2
415.14630	30.0
416.15009	2.7
484.27252	1.0
661.34283	2.6
721.38202	1.7
721.49854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01265	10.6
61.98718	1.4
62.39000	1.2
71.01257	1.5
71.04912	2.1
71.25885	2.8
71.68868	1.4
78.95794	35.3
96.96875	1.3
97.02859	5.9
97.06521	1.7
99.00776	4.1
109.06538	3.7
110.03622	1.7
111.04414	1.5
122.97587	2.1
122.98451	27.7
125.09653	11.7
134.98434	1.6
136.05197	1.5
142.02693	2.4
152.99532	10.9
153.12823	1.8
161.09631	2.3
163.11195	11.0
168.04239	5.1
179.01108	1.1
181.10808	1.7
181.12317	24.4
181.13899	1.4
182.12617	1.6
199.13319	1.8
207.10257	51.6
207.12215	2.7
208.10574	4.4
224.06882	3.9
225.11328	94.7
226.11674	4.8
243.12411	2.0
253.09354	2.8
255.23331	100.0
256.23651	10.9
257.14026	15.9
270.08078	1.3
277.21768	13.7
391.22714	3.8
405.13147	1.6
465.35770	1.5
480.31082	4.2
538.87433	1.3
594.17230	1.2
617.35034	2.7
661.37445	27.7
662.38226	5.6
720.44751	64.9
721.44690	17.2
740.41132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03324	1.7
59.01262	5.7
61.98714	3.5
62.23159	0.3
65.16984	0.4
65.61477	0.4
68.82555	0.4
69.03338	1.3
71.01270	5.8
71.04906	2.9
71.58021	0.5
72.99211	0.5
73.02825	1.2
78.95782	0.4
80.02567	0.8
81.03340	1.0
83.01269	1.1
83.04917	3.7
84.02054	0.7
85.02847	1.5
87.00761	1.3
89.02348	2.6
93.03350	0.9
95.01278	0.8
95.04924	1.2
96.95918	2.7
97.02861	2.7
97.06518	2.0
99.00781	15.9
100.01102	0.5
101.02348	4.1
109.02826	0.6
109.06491	1.7
110.03697	0.6
111.00761	0.4
111.04495	0.4
113.02362	2.1
115.03909	0.3
119.03436	0.6
119.08716	0.4
123.08080	1.3
125.05972	0.5
125.09640	7.6
127.11153	0.6
134.03632	0.5
135.08113	0.9
136.05244	0.4
142.02646	1.4
145.05054	0.6
145.10039	0.4
152.07166	0.5
153.12781	0.9
160.01688	0.5
161.04459	1.0
161.09679	0.5
163.11247	12.1
164.11545	0.8
165.12788	1.5
171.10248	6.6
173.04509	1.6
178.99908	0.5
179.03342	0.4
179.05664	0.5
181.12306	15.1
182.12694	0.8
185.00841	0.5
189.09132	0.4
191.05542	0.6
191.10782	0.5
197.11797	1.5
199.13368	8.2
200.13724	0.7
201.11333	0.6
207.10254	23.3
208.10574	1.8
209.11818	41.9
210.12137	2.8
225.11330	35.5
226.11665	2.2
227.12860	2.8
235.08307	1.0
243.12399	19.4
244.12793	1.0
253.09286	2.7
299.15054	0.6
348.82993	0.4
397.13351	0.6
445.21112	0.6
461.20288	1.3
479.21378	4.4
671.32532	2.4
672.34076	0.5
689.34052	100.0
690.34369	19.2
720.76691	0.4
721.36603	6.0
722.36548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64952	0.4
58.00470	0.5
59.01264	6.8
61.98705	1.9
69.03338	1.7
71.01272	6.8
71.29548	0.4
71.29929	0.8
72.99208	0.5
73.02838	1.0
78.95789	1.6
83.01254	1.0
85.02846	2.2
87.00761	0.7
88.98696	0.8
89.02343	4.0
93.03373	1.2
95.01280	0.7
96.95916	2.7
97.02852	1.2
99.00759	0.9
101.02351	8.8
109.02863	0.4
113.02360	3.8
119.02588	0.8
119.03418	9.4
123.04488	0.6
125.02383	0.8
125.09661	3.5
131.03432	0.8
135.04460	1.1
137.02269	0.5
143.03380	1.0
161.04503	5.8
173.04510	2.5
179.05630	0.5
187.09732	2.0
191.05597	1.6
201.11221	0.6
205.84239	0.5
211.09755	1.4
221.06673	1.9
227.67799	0.5
234.57924	0.4
323.09836	1.2
335.22339	100.0
336.22672	9.7
349.24020	1.3
377.23294	1.1
407.24615	0.6
422.83728	0.5
458.84903	0.5
465.65424	0.5
497.27844	2.9
533.30090	0.5
539.28503	5.4
540.28839	0.6
542.30249	0.6
557.29846	5.6
558.30151	0.9
581.29773	2.2
659.32977	16.8
660.33252	4.3
719.34723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03331	1.4
58.00471	1.7
59.01265	28.3
59.66490	0.6
59.68924	0.5
61.98709	1.6
69.03338	1.8
71.01270	29.9
71.58705	0.5
72.99184	2.6
73.02842	4.5
78.95753	0.8
81.03339	1.7
83.01259	2.7
83.04906	0.7
85.02839	5.7
87.00774	5.6
89.02335	22.9
91.03898	0.7
95.01280	1.9
97.02851	4.6
99.00771	1.5
101.02345	20.7
108.64001	0.6
109.02901	0.7
111.04462	1.1
113.02366	9.0
115.03910	0.8
119.03421	8.2
125.02370	8.6
131.03427	0.6
139.03902	1.1
143.03424	3.4
161.04504	4.8
167.03423	0.7
179.05589	4.2
207.10210	0.9
209.11835	7.3
221.06667	1.9
225.11380	1.1
235.08237	10.4
245.06461	0.6
253.09280	2.3
263.07578	0.7
277.21780	70.1
278.22055	6.0
287.07843	3.1
293.21262	3.0
305.08868	4.4
323.09964	1.4
397.13574	100.0
398.13953	6.7
415.14639	32.7
416.14728	2.9
420.46539	0.6
611.16199	0.7
646.28693	0.7
675.35944	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	719.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.3
57.03340	0.9
59.01270	11.0
61.98719	21.3
69.03338	2.9
71.01275	11.3
71.04872	0.8
73.02831	2.3
75.00780	1.0
75.78631	0.6
81.03355	3.0
83.01273	2.3
83.04922	8.4
84.02041	1.9
85.02845	2.9
87.00780	2.8
89.02338	5.4
93.03379	1.5
95.01266	1.2
95.04945	1.8
96.95908	3.1
97.02853	1.3
97.06485	0.9
98.20579	1.6
99.00777	1.5
101.02335	7.6
109.02895	0.8
109.06476	1.1
111.04472	0.9
113.02357	3.6
119.03420	1.4
123.08022	0.9
133.02826	1.0
135.04475	1.1
137.34268	0.7
141.01753	0.9
151.11200	2.2
152.99524	1.1
153.09087	0.8
153.12801	1.8
161.04509	3.0
163.11217	7.2
165.12784	4.0
169.12297	52.6
170.12590	2.8
171.10129	1.9
173.04491	2.1
175.04028	1.0
179.05565	1.2
179.10793	1.5
181.12344	1.6
185.00900	1.0
185.11868	0.8
191.05591	1.7
191.10760	1.8
197.11810	66.2
198.12180	4.0
207.10222	1.7
209.11818	100.0
210.12160	7.3
213.11316	1.0
223.09750	1.0
225.11249	1.0
227.12863	7.6
228.13245	0.9
235.08218	1.5
253.09317	7.1
255.23358	1.3
291.06570	1.3
656.41382	1.1
687.32483	54.4
688.32861	9.6
719.35107	94.3
720.35541	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	719.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57268	0.3
54.56594	0.2
55.01771	0.6
57.03329	1.0
59.01262	5.7
61.98716	2.2
67.01768	0.5
69.03339	4.4
69.03693	0.4
71.01270	5.6
71.04903	2.2
71.58615	0.4
72.99197	0.3
73.02835	1.1
78.95801	0.3
80.02566	1.2
81.03349	1.5
81.03770	0.3
83.01283	1.2
83.04916	5.4
84.02070	1.3
85.02830	1.4
87.00760	0.9
89.02338	3.0
93.03355	0.5
95.01276	0.7
95.04920	1.3
96.95920	0.6
97.02863	0.8
97.05971	0.3
97.06472	1.5
99.00791	0.9
101.02342	4.7
103.17494	0.3
107.04948	0.3
109.06519	0.9
111.00809	0.3
111.08063	0.6
113.02344	2.1
119.03407	0.8
123.08071	1.0
125.05969	0.8
125.09622	3.0
135.08093	0.6
136.61571	0.3
137.09647	0.5
145.04921	0.4
149.09688	0.7
151.11218	2.9
152.11581	0.4
153.12782	1.5
161.04474	1.0
161.09657	4.4
162.09964	0.3
163.11250	4.6
165.12794	2.6
171.10197	0.6
173.04448	0.6
179.05592	0.4
179.10739	7.4
180.11038	0.4
181.12297	0.7
185.11874	0.3
191.10733	1.1
197.11807	61.7
198.12144	3.8
207.10211	0.4
209.11815	67.6
210.12175	3.7
223.09756	0.9
225.11342	0.6
227.12862	4.3
235.08156	0.3
241.10844	3.8
253.09332	3.5
343.60663	0.3
432.11441	0.3
459.18723	0.9
477.19931	1.8
669.31525	0.9
687.32446	100.0
688.32819	20.2
719.35120	24.8
720.35321	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	719.351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46251	0.8
50.74917	0.9
57.03329	1.0
58.00479	0.8
59.01270	11.3
59.64890	0.7
61.98719	6.9
65.18597	0.7
67.53567	0.7
68.99686	1.1
69.03329	3.2
71.01270	9.6
71.58926	0.8
72.99194	1.6
73.02826	2.9
81.03345	2.6
83.01274	1.4
83.04912	8.4
84.02039	1.8
85.02828	2.9
87.00765	2.5
89.02330	4.6
89.97424	0.8
93.03347	2.3
95.04910	1.8
96.95874	1.7
97.02831	1.9
97.06470	1.7
99.00791	1.3
101.02344	9.4
109.06435	1.2
110.03554	0.7
111.00798	1.1
111.04423	2.5
113.02354	4.9
113.60100	0.8
119.03414	1.6
123.04480	1.0
125.05949	0.9
125.09641	1.7
135.08084	2.0
145.02817	0.9
151.11197	3.4
152.07025	0.9
153.09273	0.9
153.12807	1.7
161.02406	1.3
161.04549	1.9
161.05925	0.7
161.09705	1.0
163.11235	4.9
165.12770	3.1
169.12305	36.6
170.12604	1.2
171.10223	6.5
173.04518	3.7
179.03564	1.0
179.05438	1.1
179.10715	2.4
181.12347	0.8
191.05582	1.4
191.10794	1.5
197.11819	68.2
198.12186	4.3
199.09760	0.9
205.08633	1.1
207.10081	1.0
209.11827	100.0
210.12204	6.5
213.11346	1.6
223.09779	6.5
225.11453	0.8
227.12895	9.0
228.13383	0.9
235.08243	1.9
241.10979	1.1
253.09251	5.1
335.27353	0.9
459.18539	1.6
518.15784	0.8
528.96173	0.8
651.30304	1.7
669.31348	2.8
687.32452	68.7
688.32605	10.6
701.31213	2.2
719.35120	75.0
720.35400	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	719.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18655	0.4
59.01263	6.2
61.38470	0.4
71.01263	5.7
72.99239	0.5
85.02851	1.2
89.02342	7.4
92.90492	0.6
93.03347	0.7
101.02338	3.6
113.02345	2.4
117.10332	0.6
119.03405	2.9
143.03432	0.7
159.04408	0.8
161.04562	1.1
173.04471	2.8
179.05557	3.9
191.05554	2.5
215.03250	4.0
224.89006	0.6
250.04741	0.5
266.05719	0.6
283.09839	1.4
327.08813	1.1
341.10965	20.6
342.11356	0.9
353.06946	1.3
377.08627	100.0
378.08945	9.2
438.80420	0.6
545.13190	0.6
719.18585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01262	2.7
67.01774	3.3
69.03350	1.2
71.01287	2.9
71.58994	0.4
71.59374	0.8
73.02821	0.8
81.03348	1.5
83.04927	0.8
85.02843	12.4
87.00762	2.4
89.02324	0.6
93.03359	19.4
94.03687	0.6
95.01283	0.5
96.95934	2.2
98.95470	0.8
99.04427	0.9
101.02341	0.7
108.02087	1.2
109.02869	1.3
111.00805	0.9
111.04439	4.4
113.02374	1.1
116.92776	2.6
127.03972	2.3
133.02908	1.3
134.03677	0.9
137.02377	3.5
146.08168	1.0
147.04549	0.5
152.01085	1.7
153.01855	1.0
155.03485	2.9
171.03021	0.6
173.04517	32.5
174.04866	1.2
177.01883	0.5
179.03485	0.6
183.10735	0.4
191.05586	63.9
192.05925	2.3
195.46355	0.4
209.05959	0.6
222.06891	0.5
237.05482	1.2
238.06412	1.2
239.07207	0.4
249.05659	1.4
250.06438	1.4
251.07190	0.6
265.05078	2.6
266.05887	8.3
267.06595	2.5
268.07474	7.6
269.07932	0.5
276.04575	0.5
277.02356	0.5
277.05051	2.1
281.08292	1.1
283.09802	7.3
293.04630	11.9
294.05405	19.7
295.05859	2.1
297.04160	0.8
309.07751	6.9
310.04739	0.8
310.07962	0.7
312.06506	2.5
315.07330	0.9
325.07339	1.2
327.08813	14.0
328.09058	1.1
338.04398	5.1
339.04883	0.9
353.06738	100.0
354.07074	9.6
399.09610	0.6
501.14218	12.8
502.14542	1.6
504.73349	0.5
527.12048	46.7
528.12396	7.2
536.47400	0.4
537.22888	0.4
545.13171	7.4
546.13495	1.0
556.63257	0.5
643.21881	0.4
675.18848	0.6
704.35645	0.5
719.17920	2.7
720.18573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.01264	1.6
60.99178	0.4
62.13652	0.3
65.64665	0.3
67.01775	2.9
67.04085	0.3
67.48102	0.3
69.03349	1.1
69.23648	3.4
71.01270	2.3
73.02805	0.4
75.23564	0.3
79.63268	0.3
81.03358	1.0
83.04922	1.1
85.02842	10.4
87.00755	2.5
89.02350	0.4
93.03359	17.1
96.95905	2.8
98.95495	0.6
99.04426	0.9
99.92473	0.5
101.02345	0.4
101.32946	0.3
108.02095	0.8
109.02876	1.8
111.00799	0.6
111.04424	4.1
111.98188	0.3
113.02343	0.7
115.91991	0.8
116.92760	1.7
120.55854	0.3
125.02378	0.4
127.03931	3.1
133.02899	1.2
134.03673	0.6
135.04474	0.5
137.02368	4.2
138.57915	0.4
146.08240	0.5
152.01120	0.8
153.01881	0.9
155.03418	3.2
161.02396	0.5
173.04507	30.8
174.03320	0.4
174.04858	1.0
177.01941	0.5
178.02637	0.4
191.05583	57.8
192.05876	2.0
197.21666	0.3
200.58528	0.4
219.70996	0.4
221.06116	0.4
222.06854	1.2
222.39848	0.4
237.05609	1.2
238.06392	1.6
239.06996	0.5
249.05609	1.5
250.06364	1.4
251.03508	0.5
251.07051	1.1
256.44751	0.4
265.05042	2.1
266.05890	8.6
267.06567	2.7
268.07458	8.2
269.07773	0.6
277.05212	1.8
281.08353	1.2
283.09814	7.8
284.10327	0.6
293.04620	12.9
294.05396	19.4
295.05740	1.6
297.04364	0.8
309.04324	0.4
309.07724	6.0
312.06390	1.9
325.07248	1.1
327.08795	12.4
328.09171	1.7
338.04395	4.9
338.08182	0.6
339.05096	0.5
353.06729	100.0
354.07080	9.4
397.11353	0.5
408.90878	0.4
481.95294	0.4
501.14160	13.1
501.21494	0.7
502.14526	1.3
527.12054	51.9
528.12415	7.3
545.13104	8.3
546.13446	1.4
719.17792	3.1
720.18512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.3
61.98717	100.0
62.98413	0.2
71.01267	0.1
73.02815	0.1
96.95920	0.2
117.03391	0.8
117.15179	0.1
119.03421	0.1
119.04973	0.2
126.67409	0.1
126.78614	0.1
145.02892	2.9
163.03922	0.2
173.04498	0.1
197.04611	0.1
208.05611	0.1
258.36700	0.1
268.18231	0.1
594.16785	0.1
613.18140	0.1
655.18695	1.0
656.19733	0.1
660.30334	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	718.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88402	0.1
59.01263	0.2
61.98717	100.0
62.98405	0.1
66.35288	0.1
78.95805	0.2
96.95920	0.2
98.97575	0.1
112.85891	0.1
117.03358	0.7
119.04986	0.1
123.47527	0.1
145.02890	2.2
173.04549	0.1
272.82907	0.1
478.72070	0.1
511.31714	0.1
537.23578	0.1
551.48932	0.1
572.93585	0.1
655.19177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4318
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
53.88059	0.4
55.01792	0.4
57.03331	0.9
59.01252	2.1
59.42253	0.4
61.98710	2.1
62.96285	0.5
66.53311	0.4
69.03343	13.1
70.73782	1.1
71.01289	2.6
71.04904	1.9
78.95794	39.8
81.03355	0.6
83.04913	0.7
95.01304	0.7
95.04930	1.7
96.96861	1.5
97.02831	2.8
97.06490	2.1
108.02012	0.5
109.06502	1.0
110.98450	0.7
111.04405	1.5
121.06517	0.5
122.98452	30.0
123.04432	0.9
123.08086	7.5
123.98801	0.4
125.00020	0.6
125.09650	5.4
134.98422	2.7
135.11711	0.7
136.05190	1.1
137.09656	4.0
142.55060	0.5
149.06020	0.6
149.09673	1.3
151.11221	5.3
152.99530	11.0
161.09680	5.6
168.04288	4.9
177.09163	0.7
179.10739	35.1
180.11095	1.5
182.05780	1.1
183.13846	0.6
197.11824	10.8
198.12140	0.6
202.47600	0.5
205.08722	2.2
211.13396	4.1
223.09769	15.3
223.13229	0.8
224.06927	3.2
224.10100	0.8
237.22275	0.5
241.10866	5.2
255.12425	45.2
255.23326	100.0
256.12827	2.4
256.23672	9.7
279.23334	0.9
289.77621	0.5
290.37811	0.5
293.56671	0.5
391.11642	0.7
391.22467	2.8
403.11740	2.0
409.23816	1.0
427.05664	0.5
462.18967	1.1
462.29916	0.6
480.20233	0.6
480.31006	4.4
647.36078	3.1
659.35840	27.1
660.36133	6.3
718.43176	41.2
719.43451	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	718.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.7
59.45470	0.1
61.98716	100.0
62.98424	0.1
67.34122	0.1
69.03349	0.1
70.17661	0.1
70.35432	0.4
71.01281	0.5
73.02825	0.1
78.95808	0.4
85.02853	0.3
89.02346	0.3
93.03373	0.2
96.95939	0.2
101.02366	0.3
102.20496	0.1
113.02381	0.2
117.03375	1.6
118.03708	0.1
119.04936	0.2
121.02899	0.3
122.03217	0.2
125.02399	0.1
136.91046	0.1
143.03288	0.1
145.02892	5.6
146.03249	0.3
156.01949	0.1
158.81296	0.1
163.03967	0.3
173.04536	0.2
185.00964	0.1
210.43793	0.1
245.99869	0.1
263.06934	0.1
317.21909	0.1
359.68076	0.1
497.28085	0.1
519.24512	0.1
519.32312	0.4
520.32507	0.2
613.18134	0.3
655.19006	1.8
656.18915	0.2
659.32922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03707	0.1
56.28864	0.1
59.01262	0.6
61.98717	100.0
62.98402	0.2
63.66210	0.1
69.03342	0.2
70.06669	0.2
70.07079	0.3
71.01273	0.3
71.05979	0.1
73.02825	0.1
78.95788	0.1
83.01315	0.1
85.02871	0.1
87.00806	0.2
89.02382	0.2
96.95925	0.3
98.20512	0.2
101.02417	0.2
106.32961	0.1
113.02355	0.2
117.03377	1.9
118.03717	0.1
119.04964	0.2
145.02887	7.2
146.03233	0.3
163.04001	0.4
173.04604	0.2
175.04051	0.1
191.05562	0.2
209.88152	0.1
210.51025	0.1
231.92184	0.1
334.99524	0.1
595.17438	0.2
613.18317	0.3
655.18976	3.5
656.19171	0.5
718.30219	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23484	0.9
59.01265	100.0
61.98703	3.4
67.92427	1.0
77.56067	1.0
78.95783	3.1
86.05605	1.1
94.88778	1.1
98.19782	3.3
140.01089	1.4
143.58170	1.0
171.25314	1.1
209.11790	4.0
229.40604	1.0
242.75571	1.0
255.17029	1.1
277.21753	8.1
278.22073	3.1
340.82047	1.0
386.18329	1.0
453.11972	1.8
459.16898	3.0
467.14117	1.6
481.11703	3.8
482.12152	1.4
496.13910	15.9
497.14355	9.3
498.15265	2.0
510.15735	4.4
511.16513	7.5
512.17041	5.0
513.17773	3.8
530.14667	2.0
538.15070	1.6
539.19666	1.3
540.20660	1.4
544.16272	4.6
545.16882	1.8
563.87311	1.1
567.18994	10.1
568.18768	2.9
570.18585	2.3
571.18286	12.0
572.18488	2.7
597.19904	2.1
598.20972	4.3
599.21619	35.0
600.21869	9.4
602.16559	3.4
625.19293	1.8
630.19324	1.7
631.20856	2.1
657.22101	17.0
658.22192	6.1
716.41693	1.3
717.24359	92.2
717.43323	2.9
718.24481	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	718.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25227	0.1
59.01267	0.7
61.98717	100.0
62.98410	0.2
69.03349	0.2
70.97688	0.3
71.01286	0.4
74.46994	0.1
83.01286	0.1
85.02850	0.2
87.00792	0.1
89.02338	0.1
92.64426	0.1
93.03349	0.1
96.95943	0.2
99.00819	0.1
101.02340	0.3
108.74387	0.1
110.62437	0.1
113.02354	0.1
117.03369	2.4
119.04987	0.5
119.05730	0.1
123.68066	0.1
127.05543	0.1
135.04503	0.1
145.02888	9.6
146.03239	0.4
151.00378	0.1
163.04012	0.6
173.04550	0.3
179.05569	0.1
185.00859	0.2
191.05623	0.2
314.77774	0.1
343.58810	0.1
349.09399	0.1
533.29889	0.2
563.37134	0.1
595.17578	0.1
613.18280	0.4
655.18976	4.0
656.19189	0.5
681.37952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	8.1
61.98722	8.7
69.03355	1.5
69.30342	4.0
69.30772	2.8
70.20445	0.7
71.01255	3.8
73.02831	1.2
78.95755	0.8
85.02872	1.1
87.00736	1.0
88.98712	1.4
89.02354	1.5
93.03345	1.7
95.01347	0.8
96.95940	1.1
96.96828	0.9
101.02338	2.2
109.02885	1.0
113.02367	2.0
117.03384	31.3
118.03647	1.0
119.04948	6.4
121.02882	1.0
122.06034	3.1
125.02360	0.9
133.02902	1.3
134.06079	1.5
135.04498	0.8
137.02292	0.7
139.15231	0.7
145.02893	100.0
146.03242	5.2
152.07127	5.1
160.01660	0.8
161.02374	2.7
161.04500	0.9
162.02748	1.4
163.03943	4.8
173.04491	2.4
191.05580	2.1
206.04469	0.9
209.11926	1.0
235.13527	0.8
251.04271	0.8
263.06879	0.8
286.34183	0.7
307.08331	2.1
611.25372	2.1
613.17365	3.6
614.18378	0.8
625.26776	0.9
643.28076	1.6
655.19019	29.4
656.19214	5.3
715.19159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27986	0.1
59.01265	0.7
61.98717	100.0
62.98410	0.2
70.93575	0.2
70.93944	0.1
71.01283	0.5
72.01612	0.1
78.95827	0.1
85.02841	0.1
89.02354	0.4
101.02374	0.5
113.02345	0.1
119.03440	0.1
125.02369	0.1
127.76145	0.1
144.26765	0.1
158.23563	0.1
179.05615	0.1
235.08249	0.1
255.23332	0.7
256.23724	0.8
257.24063	0.3
258.24265	0.2
366.26785	0.1
391.77310	0.1
397.13556	0.5
398.14005	0.7
399.14114	1.0
400.14417	0.6
407.81522	0.1
416.15475	0.1
417.15207	0.2
418.15720	0.2
527.14862	0.1
656.38300	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	713.4757
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
59.01260	0.3
61.98705	0.2
69.03340	0.3
71.01263	0.3
81.03336	0.2
83.04901	0.6
93.03341	0.3
96.95905	1.0
98.20530	0.4
98.95474	0.5
101.85760	0.1
108.71075	0.1
113.02386	0.1
130.29762	0.1
135.04425	0.2
151.00304	0.1
153.05486	0.2
164.04413	0.1
173.04471	0.4
185.00821	0.2
187.56892	0.1
193.05176	0.1
217.09756	0.1
220.97902	0.1
225.16043	0.3
227.36761	0.1
451.32816	0.3
511.98557	0.1
659.48492	0.2
673.90076	0.2
677.49847	2.5
678.50092	0.4
713.47485	100.0
714.47809	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	713.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88157	0.1
59.01265	6.4
61.98716	3.8
65.00253	0.1
69.03344	0.2
71.01266	1.0
71.58872	0.2
72.99191	0.1
73.02833	0.7
77.03867	0.2
78.95810	0.1
80.96413	0.5
83.01274	0.4
85.02845	0.4
87.00297	0.1
87.00749	0.7
88.98709	0.3
89.02346	0.4
89.03854	0.3
93.03363	0.2
95.04926	0.2
96.95915	0.3
97.02811	0.2
99.00780	0.2
101.02330	0.8
104.02561	0.3
105.03349	0.8
113.02354	0.6
115.01817	0.3
117.03388	0.8
121.44068	0.1
123.04446	0.5
125.02386	0.3
129.01859	0.2
132.02094	3.0
133.02878	42.8
134.03163	1.6
135.04448	2.7
136.04845	0.2
137.02373	0.2
143.03456	0.4
145.02879	0.2
149.04451	0.1
159.04413	0.2
160.01576	0.4
161.02385	100.0
162.02724	5.0
163.03955	0.2
171.10197	0.2
173.04527	0.5
175.03958	0.2
179.03432	1.6
179.05075	0.1
179.05579	0.1
183.28099	0.1
191.05560	0.3
193.05016	0.2
209.11760	0.1
218.63181	0.1
289.05197	0.2
313.10431	0.1
341.11047	0.2
383.12262	0.4
405.19601	0.1
425.12943	0.3
447.72610	0.1
467.14215	0.5
611.16333	0.2
629.17377	0.2
653.17236	0.6
671.18390	4.9
672.18536	1.0
713.19464	21.7
713.29895	1.0
714.19781	4.4
714.32440	0.2
726.32819	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	711.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60349	0.4
55.01765	0.9
57.03336	0.7
58.00481	1.1
59.01265	25.9
61.98700	0.7
69.03320	1.2
70.90166	0.4
71.01273	18.7
72.99197	1.8
73.02828	3.3
75.00737	0.6
81.03342	0.8
83.01272	2.5
85.02853	4.2
85.99981	0.4
87.00777	4.3
89.02338	20.6
95.01290	1.3
97.02858	3.2
98.19811	0.7
99.00766	1.0
101.01701	0.8
101.02350	15.2
109.39652	0.4
110.80907	0.4
111.04406	0.6
113.02354	6.8
119.03395	4.6
121.02834	0.5
125.02370	6.7
127.03989	0.4
131.03386	0.7
133.04996	0.6
139.03925	0.7
143.03423	2.7
149.04451	0.6
161.04500	4.4
165.29231	0.4
167.03511	0.4
176.87215	0.4
179.05580	4.0
217.07042	0.4
221.06673	1.7
229.19952	0.4
235.08220	8.8
245.06584	0.4
253.09366	2.2
253.21761	54.9
254.22092	5.0
263.07700	0.7
277.09488	0.6
277.21790	8.5
278.22025	1.1
287.07813	2.7
305.08847	3.3
323.09775	1.1
378.59961	0.4
379.12363	0.5
397.13580	100.0
398.13934	9.1
415.14651	26.6
416.15030	3.3
550.28802	0.5
646.10345	0.4
651.36084	3.0
652.36523	0.6
675.36078	1.7
698.00507	0.5
711.33691	12.5
712.34064	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	713.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	6.6
61.98718	2.5
69.03350	0.3
71.01264	0.9
72.99200	0.2
73.02859	0.5
77.03867	0.3
78.95794	0.1
80.96423	0.4
83.01278	0.4
85.02834	0.4
87.00758	0.6
88.98713	0.3
89.02360	0.4
89.03861	0.3
93.03349	0.2
94.97964	0.1
95.01328	0.1
95.04899	0.1
96.95930	0.2
97.02850	0.2
99.00791	0.1
101.02344	1.0
101.31866	0.1
104.02625	0.2
105.03350	0.6
111.00802	0.1
111.04499	0.1
113.02363	0.6
115.01812	0.3
117.03374	0.8
119.03400	0.2
123.04446	0.3
125.02367	0.4
132.02104	3.2
133.02892	43.2
134.03186	1.8
135.04459	2.7
135.05447	0.2
137.02376	0.3
141.01852	0.2
143.03456	0.3
159.04497	0.2
160.01622	0.3
161.02399	100.0
162.02731	4.7
163.04097	0.2
170.03783	0.1
173.04500	0.5
175.04001	0.2
178.02710	0.1
179.03455	1.6
191.05594	0.3
193.05070	0.1
225.00832	0.2
286.03970	0.1
289.05151	0.2
323.09979	0.1
341.11044	0.2
365.10855	0.1
383.12183	0.5
407.10355	0.1
425.13144	0.4
467.14200	0.3
611.16815	0.2
629.17847	0.2
653.17310	0.4
654.18176	0.1
671.18463	4.5
672.18805	0.7
713.19482	20.1
714.19867	3.8
714.32672	0.1
721.92938	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	711.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83680	0.3
55.01754	0.3
55.84890	0.3
57.03351	0.6
59.01266	100.0
60.01608	1.1
62.95912	0.3
69.03345	0.4
69.90788	0.3
70.38435	0.5
70.38830	0.7
71.01271	8.7
72.99185	0.3
73.02834	3.5
74.58475	0.3
75.00779	0.3
83.01266	1.5
85.02846	4.7
86.03170	0.4
87.00804	0.5
87.10256	0.3
89.02364	0.7
93.03373	0.4
95.01287	0.5
96.33247	0.3
96.95927	0.8
99.00797	1.5
101.02352	7.0
113.02355	3.8
116.88282	0.3
125.02367	0.6
129.01897	0.5
135.04486	0.4
159.02979	1.0
161.02466	0.4
161.04488	4.2
173.04578	1.1
185.06386	0.4
191.05647	1.3
209.03214	0.4
255.03078	0.4
269.10364	10.3
269.13116	0.6
270.10855	0.5
271.02597	1.1
299.02103	0.5
300.02899	1.1
301.03717	1.3
311.11459	6.3
312.11685	0.6
316.02426	1.1
463.09061	0.7
505.10373	0.8
511.87796	0.3
667.14954	1.5
668.16351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.2
57.03330	0.7
58.00479	0.9
59.01266	29.5
61.98718	5.5
65.80681	0.6
69.03326	1.5
71.01269	28.2
72.35107	0.7
72.99187	1.3
73.02837	4.3
78.95796	0.8
81.03351	1.5
83.01282	2.7
85.02854	6.0
87.00770	5.8
89.02335	26.1
92.81934	0.5
93.03381	0.8
95.01270	1.2
97.02834	4.3
98.20567	1.5
99.00782	1.8
101.01703	1.1
101.02347	22.4
109.02843	0.7
111.04460	0.9
113.02352	10.1
119.03417	6.9
125.02359	8.6
131.03384	1.0
138.96925	0.5
139.03928	0.6
143.03450	3.7
149.04454	0.7
161.04529	4.4
179.05621	3.8
219.05032	0.7
221.06693	2.0
229.97841	0.7
235.08255	10.7
236.08414	0.8
253.09329	2.0
253.21761	78.3
254.22127	6.7
263.07874	0.9
277.09314	0.6
287.07761	3.0
305.08780	4.8
323.09888	1.3
361.10980	0.7
397.13596	100.0
398.13916	9.9
415.14658	30.3
416.15100	2.9
428.91324	0.6
434.89966	0.6
590.68091	0.7
651.36267	4.7
652.35919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.8
61.98701	0.4
69.03337	0.2
71.01256	0.7
78.95795	4.4
79.95623	2.7
85.02822	0.3
87.00784	0.2
89.02338	0.4
93.03349	0.5
96.29523	0.1
96.95911	100.0
96.96797	4.9
97.95850	0.3
98.20554	0.3
101.02342	0.4
113.02360	0.3
117.03397	1.1
119.04929	0.3
121.02876	0.4
125.02385	0.2
132.27066	0.1
134.03717	0.2
135.04457	0.2
137.02321	0.3
145.01825	0.3
145.02892	3.6
148.99681	0.1
160.01605	0.2
161.02333	0.3
161.04597	0.2
163.03952	0.4
173.04501	1.0
175.03947	0.3
191.05553	0.4
193.04887	0.2
211.13405	0.1
613.17987	1.6
614.18372	0.3
710.30927	0.3
711.32367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08172	0.5
55.01763	0.8
57.03335	2.0
57.24928	0.5
59.01263	11.1
61.08657	0.5
61.98716	1.9
69.03346	3.8
69.63380	3.9
71.01273	9.2
72.99220	0.6
73.02831	3.0
78.95806	1.0
79.95630	1.4
81.03350	1.9
83.01279	10.9
85.02840	8.6
87.00784	1.3
88.98656	0.6
89.02330	1.1
93.03362	2.4
95.01295	4.2
96.95914	60.5
97.02846	1.3
99.00783	1.8
99.04389	0.7
101.02358	5.7
107.01288	0.6
108.02080	76.2
109.02876	33.3
110.03192	1.1
113.02346	3.6
119.04913	0.9
121.02898	2.9
123.00801	2.8
123.04448	1.5
125.02376	5.5
133.02853	1.7
134.03525	0.5
135.00793	1.4
135.04436	1.1
145.02885	2.9
145.96683	0.7
151.03954	2.5
152.01094	77.8
153.01892	29.9
154.02148	1.1
159.02921	0.6
161.02444	2.5
161.04521	1.6
163.04024	2.5
165.01889	1.7
173.04494	2.7
173.05923	1.0
175.04082	0.7
177.01761	0.7
179.03487	0.9
181.05009	0.6
185.00903	2.8
191.05611	1.5
191.07162	0.9
193.05046	0.5
194.38528	0.5
195.02907	0.7
216.04324	1.1
217.05003	2.5
223.09856	0.6
284.73547	0.6
289.11002	0.6
297.06293	1.0
315.07294	35.4
316.07693	2.8
357.08304	12.1
358.08755	1.0
379.10242	0.5
397.11453	2.3
399.09497	2.3
423.09369	2.4
441.10477	0.5
549.22662	0.7
613.18054	1.3
693.20544	0.9
710.48871	0.6
711.21545	100.0
712.21820	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99943	0.3
55.01745	0.4
57.03336	1.4
58.00451	0.3
59.01263	7.6
67.59101	0.3
69.03333	0.7
71.01272	5.8
72.99191	0.3
73.02834	1.4
73.92866	0.3
78.95768	0.8
80.96428	0.5
81.03354	0.4
83.01279	1.2
83.04916	0.8
85.02837	1.2
87.00787	0.7
89.02328	5.0
95.01295	0.5
95.04931	0.8
97.06483	3.6
98.20664	0.7
99.00766	0.5
101.02350	4.0
113.02358	1.7
115.03883	0.4
119.03430	0.8
125.09625	0.4
133.04977	0.6
133.10222	0.3
149.09662	0.3
151.11223	13.8
152.11598	0.7
152.99477	0.5
161.04535	1.4
169.12291	100.0
170.12642	5.2
179.05583	0.5
195.08698	0.4
195.10268	1.5
213.11311	12.6
214.11656	0.6
214.61522	0.3
235.08269	1.2
253.09285	3.3
254.09604	0.4
255.23404	0.8
277.21774	24.2
278.22034	1.5
405.21555	0.5
431.19116	2.2
449.20428	6.4
497.45163	0.4
645.82599	0.4
709.41815	88.6
710.42175	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	709.3949
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
57.03354	0.7
58.00481	0.8
59.01264	1.9
60.23433	0.7
61.98673	0.9
67.40641	0.6
71.01268	1.5
73.02811	1.0
78.95795	30.3
80.96405	1.1
83.01276	0.8
83.04922	3.7
89.02328	1.0
92.21168	0.7
94.97986	0.7
96.96867	2.8
97.06488	0.7
98.19781	1.7
101.02331	1.8
125.09609	1.9
127.11189	3.4
151.11232	3.4
152.99532	46.0
153.99820	0.8
154.16496	0.7
155.10707	1.7
163.11201	2.9
165.09152	1.7
165.12749	1.8
169.12296	22.3
170.12593	0.7
171.00586	5.7
171.10231	2.4
185.11720	0.9
199.09766	1.0
201.11304	47.9
202.11646	2.7
207.10199	0.9
208.72554	0.8
209.11826	52.8
210.12056	2.6
213.11284	3.8
218.52357	0.8
227.03291	3.7
227.12920	4.8
235.08301	0.9
245.04335	1.0
245.13919	1.3
253.09232	0.8
253.21786	7.5
255.23277	2.3
277.21817	12.8
278.22092	1.2
337.10431	0.9
363.12161	1.7
381.13187	3.1
411.14279	0.9
429.15472	1.6
437.15674	1.4
449.20145	1.4
455.16965	10.2
473.18018	36.1
474.18463	3.4
531.03766	0.8
659.27740	0.8
665.34686	0.8
691.38397	6.6
692.38898	1.5
709.39801	100.0
710.40149	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	709.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03336	0.8
58.00488	0.4
59.01265	100.0
60.00367	0.3
60.01608	2.3
61.01691	1.1
67.01727	0.3
69.03346	0.4
71.01270	7.4
71.55901	0.4
73.02833	2.7
83.01259	1.6
83.04976	0.3
85.02840	3.9
89.02341	1.2
93.03345	1.6
95.01313	0.4
96.38683	0.4
96.95926	0.7
99.00794	1.4
101.02348	9.5
111.04415	0.6
113.02354	3.2
114.02737	0.4
119.03423	0.5
134.03699	1.1
135.04408	0.5
143.03401	0.7
155.03461	0.4
159.02992	0.7
161.04498	4.0
161.07150	0.6
173.04507	6.1
174.04906	0.4
175.08739	0.4
182.38126	0.3
189.06699	0.7
191.05659	1.7
193.05098	0.5
235.11899	19.0
236.12268	1.5
237.12514	0.5
277.12982	11.9
278.13504	1.4
279.13660	0.5
321.12091	1.0
323.12537	1.9
367.10464	2.2
387.20401	1.0
536.82294	0.3
542.14087	0.4
643.20184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78030	0.2
53.46701	0.2
55.01772	0.8
56.67442	0.2
57.03337	1.1
58.00480	1.7
59.01265	21.6
61.98711	0.8
62.04889	0.2
69.03352	2.3
70.00234	0.2
71.01270	18.1
72.01614	0.4
72.99187	1.4
73.02843	2.8
75.00764	0.2
78.95782	0.3
80.02542	0.2
81.03352	0.6
83.01276	1.8
83.04904	1.0
85.02843	3.9
86.00002	0.3
87.00779	3.5
89.02340	17.8
90.02682	0.3
91.03902	0.3
93.03357	0.4
93.06980	0.3
95.01276	1.3
97.02859	3.4
97.06496	0.5
99.00771	1.4
101.02351	14.7
101.16695	0.2
102.02709	0.3
103.00298	0.2
103.03898	0.2
109.02863	0.2
109.06527	0.9
111.00805	0.5
111.04437	0.7
111.08067	11.3
112.08392	0.5
112.11575	0.2
113.02357	6.8
115.03912	0.3
119.03418	4.9
122.19748	0.2
125.02364	4.3
125.09685	0.4
127.07568	0.6
131.03430	1.0
133.05054	0.5
137.09663	0.5
139.03946	0.3
141.01877	0.5
141.09143	0.2
143.03442	2.5
145.02875	0.4
149.04486	0.6
150.06267	0.2
150.79457	0.2
151.11259	0.5
153.09160	0.4
153.12794	0.9
159.02919	0.3
161.04492	2.4
163.11165	0.3
165.12788	0.4
167.03430	0.3
167.10693	0.2
169.12294	5.1
170.12535	0.3
171.10211	2.1
172.10532	0.3
173.04474	0.5
179.03937	0.2
179.05566	4.3
179.10728	0.3
179.14531	0.2
181.12250	1.5
183.13953	1.1
185.00934	0.3
185.11864	0.3
191.05569	0.4
193.12296	0.5
195.13806	0.6
197.11816	49.9
198.12167	3.5
199.13393	3.1
201.11308	1.0
203.05420	0.2
207.10226	0.6
207.13890	0.5
209.11861	2.3
211.13373	7.3
212.13713	0.5
217.07310	0.3
220.89510	0.2
221.06662	1.3
223.13423	0.4
225.11365	0.6
225.14960	4.1
226.15334	0.3
227.12978	2.0
230.11612	0.2
235.08240	3.7
247.20659	0.4
249.14915	0.3
253.09264	1.8
263.07825	0.8
263.20184	2.3
264.20532	0.4
265.18170	1.4
273.18671	0.6
287.07858	0.9
291.19733	14.2
292.20050	1.6
305.08850	1.1
309.20779	100.0
310.21133	10.8
323.09882	0.6
352.39197	0.2
397.13599	26.6
398.14001	2.4
412.41470	0.2
415.14667	34.7
416.14972	3.4
497.30112	0.2
647.29559	0.3
689.33972	0.4
707.35150	2.5
708.35529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64211	0.1
69.03367	0.2
69.49516	0.8
70.76328	0.1
79.95629	2.7
79.96093	0.2
91.57018	0.1
93.03384	0.2
96.95912	100.0
97.95840	0.3
98.95544	0.1
126.50724	0.1
132.78371	0.1
135.04427	0.1
141.01875	0.1
143.30354	0.1
149.09499	0.1
151.00323	0.1
173.04549	0.4
178.99864	0.2
185.00803	0.1
191.05605	0.3
250.02995	0.1
255.03067	0.4
271.02567	0.7
300.02747	1.6
301.03500	0.8
422.57416	0.1
473.15408	0.1
515.11200	0.2
521.19006	0.1
566.77454	0.1
609.14777	2.3
610.15271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79221	0.1
55.01777	0.8
57.03337	0.5
58.00480	0.3
59.01266	100.0
60.01599	1.3
65.74422	0.1
70.91254	0.4
71.01273	8.2
71.04934	0.2
72.99211	0.5
73.02834	3.1
83.01282	2.0
85.02845	4.8
86.00024	0.2
87.00788	0.5
89.02331	1.4
93.03374	0.3
95.01302	0.5
96.95889	0.2
97.02863	0.6
99.00784	1.7
101.02348	10.4
108.03188	0.1
111.00806	0.3
111.04472	0.2
113.02361	4.3
119.03418	0.3
125.02393	0.4
129.01897	0.4
134.99246	0.1
136.97908	0.2
138.06847	0.4
139.07631	0.2
143.03496	0.3
151.07599	0.4
152.08360	0.9
153.09143	2.0
159.02922	1.0
161.02461	0.2
161.04510	4.8
162.05011	0.2
173.04488	0.9
174.04904	0.2
179.03430	0.2
179.05731	0.2
191.04039	0.2
191.05537	0.7
191.07129	0.2
199.34052	0.2
205.03561	0.2
205.12323	1.2
223.13377	1.1
235.11893	19.5
236.12215	1.1
277.12979	13.2
278.13492	0.9
295.61053	0.2
321.11957	1.0
385.18796	2.5
386.19000	0.3
473.52762	0.2
501.14069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03334	1.4
58.00478	1.5
59.01263	21.4
60.01603	0.3
61.98707	0.5
67.36130	0.2
69.03342	3.2
70.20580	0.9
71.01270	18.2
71.04929	0.2
72.90549	0.3
72.99194	1.5
73.02831	3.0
75.00743	0.4
78.95778	0.3
80.02544	0.2
81.03338	1.0
83.01283	1.5
83.04905	0.8
84.02078	0.3
85.02845	4.1
87.00772	3.7
88.98671	0.3
89.02337	17.4
90.02679	0.4
91.03898	0.3
93.03351	0.6
95.01279	1.2
95.04890	0.4
97.02258	0.3
97.02852	5.9
97.06472	0.5
99.00789	1.4
99.04429	0.3
101.02344	14.5
102.02647	0.4
103.00259	0.3
109.06470	0.7
110.03664	0.3
111.00813	0.3
111.04403	0.6
111.07298	0.3
111.08067	6.1
112.08391	0.3
113.02353	6.7
115.03916	0.4
117.41974	0.2
118.49744	0.2
119.03413	4.7
119.08601	1.8
121.02853	0.3
123.04452	0.4
123.08076	0.6
125.02359	4.8
125.09657	1.2
127.07545	0.5
127.11177	0.4
127.29523	0.2
131.03380	0.9
133.04985	0.7
134.65068	0.2
135.08049	0.3
137.09642	3.2
139.03934	0.5
139.11234	0.3
141.01846	0.4
141.09193	0.3
143.03424	2.2
145.02942	0.5
147.04414	0.2
149.04462	0.6
149.09584	0.2
151.11218	0.7
152.07141	0.3
153.09204	0.3
153.12778	0.5
161.04506	2.9
163.11223	1.1
165.12778	2.7
166.09909	0.4
167.10712	0.5
169.12257	2.3
171.08754	0.5
171.10219	9.7
172.10533	0.2
173.04521	1.0
179.05579	4.1
179.10686	0.3
179.14363	0.4
181.12325	1.5
183.13829	0.8
185.00819	0.6
185.04604	0.4
185.11810	1.8
186.53592	0.2
191.05608	0.4
193.12228	0.8
193.15984	0.5
196.10072	0.2
197.11801	24.4
198.12093	1.4
199.13321	1.3
201.11325	0.9
207.10222	0.5
209.11838	4.5
210.12183	1.7
211.13426	4.3
213.11296	0.7
217.07219	0.3
219.08139	1.2
220.08577	0.2
221.06654	1.5
221.11607	0.3
223.13448	0.6
225.11368	0.4
227.12889	2.3
228.13187	0.5
229.19569	0.3
235.08250	4.5
235.13240	0.3
239.12895	0.3
247.20747	1.9
249.09193	0.6
253.09348	1.5
263.07690	0.6
263.20178	2.0
265.18073	0.6
271.55756	0.3
273.18719	1.8
274.18832	0.2
277.08917	0.6
287.07758	0.9
291.19724	23.8
292.20056	2.6
298.11444	0.2
305.08762	1.1
307.19260	0.3
309.20767	100.0
310.21109	10.6
323.09805	0.5
359.47717	0.2
397.13571	30.6
398.13904	2.2
415.14648	35.0
416.14948	2.8
689.33966	0.3
707.35168	2.2
708.35345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.5
57.19034	0.2
57.63523	0.2
58.00489	0.2
59.01262	2.7
61.98716	4.7
67.01770	0.2
69.03336	0.5
69.71415	0.7
69.71825	0.4
71.01266	3.3
72.99223	0.3
73.02830	0.5
76.39639	0.2
78.95786	0.4
80.02569	1.1
81.03353	1.3
83.01283	0.6
83.04913	4.4
84.02061	0.8
85.02843	0.7
87.00781	1.0
89.02330	1.9
93.03350	0.5
95.01334	0.3
95.04932	0.8
96.95901	0.2
97.02840	0.4
97.06464	0.4
99.00784	0.4
101.02364	2.4
105.98052	0.2
106.04095	0.2
107.03674	0.2
109.06503	0.8
111.04391	0.2
113.02361	1.1
119.03436	0.5
120.08096	0.3
122.06030	1.6
123.08082	0.2
125.02376	0.2
125.05986	0.4
125.09625	0.5
133.05013	0.2
134.06050	0.3
135.08075	0.7
143.03400	0.3
145.02895	0.7
152.07085	1.7
161.04529	0.9
163.11223	3.5
164.11494	0.3
165.12778	2.0
169.12364	0.9
171.10219	1.9
173.04504	0.7
175.03979	0.3
181.12320	0.7
185.00896	0.3
185.11873	0.3
191.05605	0.3
191.10756	1.2
197.11784	0.9
201.11320	0.8
205.08676	0.3
207.10170	1.0
208.10588	0.2
209.11813	100.0
210.12154	6.8
210.14191	0.3
211.13446	0.2
213.11348	0.4
215.12679	0.2
223.06139	0.2
225.11263	0.9
227.12885	14.3
228.13182	0.9
235.08270	2.1
237.10310	0.2
239.12123	0.2
247.13388	0.3
253.09306	5.5
254.09673	0.3
279.11441	0.8
289.18289	0.2
307.19211	0.6
401.23285	0.4
402.18378	0.5
444.19534	0.3
445.20923	2.1
446.21646	0.2
463.21704	0.2
482.99942	0.2
488.18668	0.2
520.20721	1.0
547.18591	0.2
567.25977	0.4
611.25116	2.0
637.32971	0.4
643.27820	2.0
687.32416	1.1
688.32990	0.4
705.33289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70978	0.5
55.01741	1.6
55.99187	0.5
57.03342	4.6
58.00478	2.6
59.01265	44.7
61.98716	2.4
67.01762	0.8
68.99665	0.7
69.03338	5.0
71.01270	42.5
71.04884	0.8
71.57242	0.6
71.57783	0.8
72.99211	3.7
73.02838	6.5
75.00726	1.2
78.62276	0.6
78.95757	0.9
80.02547	1.3
81.03358	3.7
83.01276	6.3
83.04903	2.9
84.02031	0.6
85.02847	8.6
87.00767	9.9
89.02337	37.9
90.02658	0.6
91.03884	0.9
93.03362	1.1
95.01290	2.5
95.04924	2.6
96.95889	0.7
97.02849	9.0
97.05978	0.5
97.06485	6.8
99.00797	3.5
99.04421	0.6
101.02349	33.2
103.00217	0.5
106.04173	1.0
107.04934	0.8
108.02044	0.7
109.02839	1.4
109.06495	3.7
111.00773	1.3
111.04421	1.5
111.08028	2.2
113.02362	14.4
115.03907	0.6
119.03423	11.9
119.04864	0.5
119.08650	0.6
120.05708	0.7
121.02875	0.9
121.06480	1.4
121.10116	0.6
123.04448	3.9
123.08060	2.1
125.02362	9.0
125.05965	0.6
125.09646	7.6
131.03378	1.5
133.04962	1.1
134.03615	0.7
135.04446	1.0
135.08038	1.7
136.05208	0.6
137.02306	1.0
137.06032	0.9
137.09645	4.2
139.03903	0.5
141.01796	1.4
141.12744	1.0
142.02676	0.8
143.03436	4.8
145.06569	0.6
149.04462	0.9
149.06062	1.1
149.09645	1.0
151.11264	4.1
153.09100	0.7
153.12697	0.7
155.03499	0.6
155.10722	0.7
157.04959	0.6
161.04514	7.4
161.09633	1.4
162.10417	0.7
163.11235	8.2
164.11552	0.7
165.09189	0.8
165.12810	4.5
167.03455	0.6
167.10677	1.3
169.04979	0.6
171.10196	2.4
173.04485	1.4
175.11226	0.6
177.12759	1.4
179.05580	8.9
179.10710	2.2
181.12286	4.8
183.13855	1.4
185.04605	0.7
185.11823	6.8
191.05551	0.6
191.10701	2.4
191.14406	8.2
197.11806	1.3
199.13353	1.1
201.11267	1.0
203.14398	0.5
204.36771	0.7
207.10266	6.7
207.13713	0.7
208.10527	0.8
209.11823	33.7
210.12209	2.8
211.13390	4.4
215.12811	1.4
217.07181	0.7
217.15938	1.4
221.06693	3.1
225.11325	5.4
226.11737	1.0
227.12891	6.4
227.17877	0.6
235.08237	8.7
235.92708	0.6
236.08466	0.6
237.11345	6.9
245.19142	18.1
246.19603	1.2
247.17043	0.6
253.09245	3.4
263.07736	2.8
263.20206	7.5
271.17072	2.0
273.05637	0.8
274.06262	0.7
279.19803	0.9
281.21268	2.0
287.07712	2.1
289.18161	68.0
290.18530	7.4
301.05188	2.4
302.05930	1.5
305.08820	2.8
307.19217	100.0
308.19513	10.6
309.20862	1.0
323.10037	1.5
325.20337	1.6
361.11786	0.6
379.12390	1.9
380.12717	0.6
381.09198	0.6
397.13605	48.7
398.14041	3.7
415.14688	41.1
416.14877	3.7
461.20453	0.7
481.13162	1.5
607.26208	8.8
608.26630	1.7
673.34741	1.0
687.32898	1.4
705.33624	10.9
706.33936	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	705.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10093	0.2
52.59583	0.3
55.01773	0.7
57.03342	1.8
59.01263	5.9
61.98727	0.8
65.03861	0.3
69.03345	2.2
71.01272	5.0
71.04903	3.1
71.07825	0.5
71.08170	0.3
72.99197	0.6
73.02845	1.0
78.95792	0.3
81.03374	0.5
83.01278	0.6
83.04937	1.0
85.02847	1.3
87.00782	1.2
89.02344	3.3
93.03354	0.6
95.01280	0.7
95.04911	0.6
96.95914	3.3
97.02850	4.4
97.06499	3.4
99.00784	21.7
99.86198	0.3
100.01120	0.5
101.02347	3.7
106.04162	0.5
109.06496	1.0
110.03647	0.7
113.02368	2.1
119.03392	0.7
119.50961	0.3
120.96355	0.2
121.06536	0.5
123.04405	0.4
123.08098	1.4
125.02390	0.3
125.09644	8.1
126.09943	0.5
127.11190	0.8
135.08116	0.7
136.05258	0.7
142.02629	1.4
143.03479	0.3
145.04961	0.3
145.10147	0.4
148.61954	0.3
151.00366	0.5
151.11288	0.5
153.12823	0.6
155.10680	0.4
155.14374	1.0
161.04497	0.8
161.09645	1.0
163.11232	9.1
171.10216	1.4
173.04518	1.1
179.10779	1.4
181.12302	17.4
182.12621	0.9
185.00931	0.5
185.11794	0.4
185.45120	0.3
188.12564	0.2
189.09207	0.3
191.05548	0.5
197.11826	10.4
198.12170	0.7
199.13383	11.0
200.13698	0.7
201.11304	4.7
202.11613	0.5
207.10260	29.2
208.10654	2.0
209.11816	5.4
210.12204	0.4
214.02663	0.5
223.09808	0.5
223.13284	0.3
225.11330	46.5
226.11627	3.4
227.12909	0.7
235.08405	0.3
235.13422	0.5
241.10748	0.4
242.02325	0.4
243.03104	0.6
243.12405	29.0
244.12701	1.8
253.09326	1.6
255.02995	0.5
270.01727	0.5
271.02536	1.1
299.02026	4.3
300.02692	1.2
301.03482	0.4
307.19272	0.7
317.16061	1.0
341.70691	0.3
357.36139	0.3
397.09192	0.4
415.14252	0.3
433.28662	0.3
461.20364	1.2
463.08868	0.4
479.21454	6.7
480.21759	1.0
519.31061	0.4
543.28040	1.0
562.89612	0.3
595.99176	0.3
608.13855	2.2
609.14087	0.5
661.30951	2.3
662.31293	0.5
687.32568	9.0
688.32861	1.7
705.33533	100.0
706.33838	20.0
723.93201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.4
59.01260	4.4
59.80009	0.7
61.98714	13.7
63.02284	8.1
65.00211	9.1
67.01748	0.7
67.50951	0.7
68.99701	1.1
69.47392	1.8
69.47807	4.1
71.01266	4.1
72.99187	0.9
73.02837	1.4
78.95806	1.4
83.01278	8.1
85.02833	1.5
88.98682	3.2
89.02329	2.0
93.03343	2.2
95.01284	1.7
96.95912	6.2
99.00777	0.9
101.02336	2.6
104.46806	0.7
107.01291	18.2
108.02150	1.1
108.02840	0.7
109.02843	1.4
111.00799	1.1
111.04430	0.9
113.02400	1.5
117.03343	1.0
119.04915	0.8
121.02877	1.0
124.01559	5.9
125.02364	11.4
137.02364	2.2
145.02905	4.8
148.01550	0.8
149.02376	0.9
151.00308	61.4
152.01103	15.4
152.07031	0.7
153.01889	5.2
159.04411	1.7
161.02393	2.2
161.04468	1.0
162.91531	0.7
163.00340	0.9
165.01778	1.0
169.01370	10.2
171.10246	5.1
172.05226	0.7
173.04515	5.0
173.06039	2.1
175.03960	1.4
177.01926	1.9
178.99826	61.5
179.03311	2.0
180.00162	2.7
187.03955	2.0
187.07530	2.1
188.04721	1.1
189.05539	2.9
190.02638	0.9
191.05533	3.0
192.05988	0.7
193.01390	1.0
197.06023	0.8
199.07603	1.5
200.04745	2.6
201.05603	0.9
201.11279	1.8
203.03468	0.8
207.10184	1.4
209.11781	0.7
214.02654	1.9
215.07141	21.1
216.07451	1.6
217.08711	3.1
225.05598	1.3
225.11319	2.4
226.06197	1.1
227.03673	0.9
227.07140	3.5
232.03709	1.0
241.01314	1.0
241.05040	2.5
242.02130	1.5
242.05806	1.1
243.02950	2.7
243.06671	3.2
253.05069	4.9
253.09224	1.0
254.05672	1.6
255.03053	2.6
263.07019	0.9
265.09021	1.0
266.05737	0.8
267.06674	0.8
269.08334	1.1
270.01663	1.5
270.05255	1.0
271.02621	5.8
271.05679	4.4
272.03168	1.1
289.09039	0.8
291.06699	1.3
292.07394	1.4
293.08282	1.6
296.03439	1.1
299.02029	10.0
300.02798	9.4
301.03500	1.2
305.08023	0.8
309.07919	0.9
311.02039	3.1
311.09329	1.6
315.02972	0.7
322.04886	1.3
325.07077	1.5
333.07715	7.6
334.08380	1.6
334.91071	0.7
336.06335	1.6
339.05032	0.8
350.04440	1.3
351.08618	1.6
353.06561	4.0
361.07272	8.9
367.08673	0.9
378.07495	3.0
379.03867	1.3
379.08344	14.2
380.08722	1.6
396.08206	1.0
397.09344	29.9
398.09906	3.7
459.14740	0.9
579.17383	1.9
608.14063	6.6
609.14642	1.0
613.17902	1.6
687.31140	0.8
705.20477	100.0
706.20819	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	705.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.9
61.98711	0.9
67.01778	1.9
68.99741	0.6
71.01280	2.0
71.06490	1.4
71.06847	0.7
81.73273	0.5
83.04924	0.8
85.02841	8.5
87.00750	1.6
93.03360	13.3
109.02853	1.0
111.00764	1.1
111.04421	3.5
119.04961	1.4
121.02060	0.9
121.02865	8.1
127.03922	1.5
133.02870	1.3
134.03641	0.6
135.04430	2.1
137.02368	2.3
147.04454	2.9
155.03406	2.2
161.02406	3.5
171.02856	0.7
173.02362	0.8
173.04509	16.8
174.04901	0.9
179.03415	1.4
191.05580	38.9
192.06024	1.3
195.08130	1.8
197.06041	0.7
211.07614	2.2
221.06062	2.7
222.06845	2.0
223.07660	4.6
224.04793	1.3
237.05652	1.2
238.06337	0.8
239.07257	3.8
245.12897	0.6
249.05585	2.4
250.06342	1.9
251.07147	6.4
266.05835	1.6
267.06674	10.3
268.07098	1.2
269.08261	7.6
277.05167	1.8
278.05725	0.6
294.05557	0.9
295.06180	13.0
296.06552	1.3
311.05640	3.9
313.07297	4.4
321.04129	1.3
339.05161	100.0
340.05423	9.9
357.09814	3.6
381.06229	1.4
487.12497	10.5
488.13068	1.6
494.51892	0.7
495.09503	2.6
513.10480	95.0
514.10797	14.4
531.14166	1.3
532.12238	0.8
705.19226	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	703.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69048	15.4
57.40863	18.9
70.79970	33.0
70.80329	40.7
76.76215	18.7
78.95792	59.0
89.13033	17.6
152.99492	21.2
171.10228	56.9
172.94444	16.7
209.11884	43.2
241.14470	82.8
255.23253	100.0
277.21884	35.9
504.37216	20.7
703.38043	55.2
704.45770	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76382	20.6
62.58882	19.0
71.57901	30.1
71.58269	30.4
71.87302	19.8
78.95801	49.9
95.28157	20.2
139.65469	23.2
160.93665	21.3
163.31184	23.8
164.10181	24.6
171.10194	63.2
209.11823	30.1
241.14497	34.1
255.23296	100.0
256.23895	26.4
277.21786	65.3
286.02106	22.2
340.05313	23.9
703.38428	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53263	0.2
59.01262	15.1
60.01611	1.2
61.01690	0.4
61.98714	100.0
65.16068	0.2
71.01304	0.3
78.95808	0.5
98.20585	0.4
109.06499	0.3
152.99487	0.3
173.04590	0.3
192.32104	0.2
207.10307	0.5
209.11711	0.3
255.23381	0.3
277.21817	1.1
439.13449	0.3
440.13449	0.3
441.13828	0.3
482.15421	0.8
483.15213	2.6
484.15530	3.1
485.15866	0.5
496.17365	0.3
497.17218	0.8
498.16928	1.2
499.17966	0.7
500.18585	0.5
542.16718	0.8
543.17096	0.7
556.19165	1.0
557.19043	3.3
558.19250	6.1
559.19629	0.4
573.15674	0.3
574.15552	1.1
575.15717	1.5
588.17908	0.5
589.17346	0.9
612.20251	0.3
643.22949	1.0
644.23077	3.9
645.23285	0.3
703.25018	2.0
704.24957	12.0
705.24548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03334	1.7
59.01262	6.7
61.98719	1.3
63.30068	0.4
69.03345	6.0
70.87495	1.2
71.01266	4.9
71.04903	3.0
73.02827	1.4
78.95808	1.4
79.64886	0.5
81.03378	0.6
83.01276	1.0
83.04919	0.9
85.02856	1.8
87.00755	1.2
89.02338	3.0
93.03371	0.7
95.01310	0.8
96.95900	0.7
97.02856	1.1
97.06496	0.9
99.00783	0.9
101.02332	4.4
108.02089	0.5
113.02367	2.6
116.92734	0.5
117.03374	1.4
119.03407	1.0
123.08083	1.4
125.09618	3.3
134.03653	0.5
135.04454	0.5
137.09676	0.8
145.02904	2.9
146.03247	1.9
147.03490	0.6
151.11197	2.9
152.99507	0.5
153.12801	2.3
160.01611	0.5
161.04504	0.7
161.09636	3.0
173.04538	0.8
179.10754	7.5
185.11751	1.1
191.05518	0.5
197.11807	95.2
198.12126	5.7
209.11946	0.8
223.09766	1.5
241.10828	5.7
253.09328	1.9
255.23271	0.9
265.79327	0.5
315.14902	0.5
459.18332	0.5
477.19751	2.5
539.25146	1.0
552.44458	0.5
609.71606	0.5
657.31433	1.8
701.30396	100.0
702.18500	0.9
702.30646	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	703.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03330	1.1
58.00457	0.4
59.01262	6.2
61.98468	0.2
61.98718	2.4
65.10789	0.2
67.01760	0.2
69.03343	5.2
69.56532	0.7
69.56955	1.1
71.01267	6.1
71.04906	3.1
71.46906	0.2
72.99183	0.6
73.02847	1.2
73.32522	0.2
75.18430	0.2
78.95786	0.3
81.03337	0.4
83.01259	1.1
83.04912	0.9
85.02843	1.8
85.06509	0.2
87.00769	1.3
89.02328	3.1
93.03341	0.8
95.01277	0.5
95.04930	0.5
97.02845	3.9
97.06491	2.0
99.00779	14.5
101.02343	3.3
106.04129	0.3
107.04784	0.3
108.02070	0.3
109.06494	1.4
111.04404	0.3
113.02359	2.3
117.92474	0.2
119.03371	0.9
123.08053	1.6
125.02369	0.5
125.09639	6.7
126.09958	0.3
127.04038	0.3
127.11221	0.3
133.36540	0.2
134.03703	0.3
135.04491	0.3
135.08051	0.9
136.05217	0.6
137.09636	0.4
139.03864	0.3
142.02612	1.0
143.03450	0.4
145.04982	0.3
151.11224	1.8
153.12767	1.1
155.14346	0.4
161.04462	0.9
161.09685	2.2
163.11230	6.5
164.11629	0.3
169.12346	0.4
171.10226	1.2
173.04471	1.0
175.03929	0.3
179.05540	0.5
179.10719	3.3
181.12297	12.6
182.12683	0.7
185.00883	2.0
191.05562	0.6
197.11812	27.7
198.12111	1.5
199.13374	9.2
200.13756	0.5
201.11243	0.3
207.10251	20.7
208.10619	1.5
209.11783	2.2
223.09727	0.5
225.11331	30.1
226.11653	2.0
227.12677	0.3
235.08186	0.4
241.10831	2.4
243.12404	16.7
244.12701	1.0
246.72778	0.3
247.07678	0.4
253.09474	1.2
263.07224	0.7
287.16629	0.8
291.06686	0.7
299.02020	0.4
299.14972	0.3
305.17667	1.9
315.13876	0.3
317.16043	0.3
397.13629	0.5
415.14478	0.6
417.95901	0.3
459.18781	0.3
461.20389	0.4
477.19745	1.4
479.21426	2.7
517.30341	1.8
523.69647	0.3
541.26416	0.9
646.01050	0.2
653.30811	0.2
659.32745	1.9
667.39252	0.4
671.32806	0.4
685.30542	1.6
686.31824	0.3
703.31934	100.0
704.32349	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	701.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71794	0.3
57.77094	0.3
59.01264	100.0
60.01601	1.0
70.95153	0.7
70.95515	0.3
78.95777	0.4
91.04346	0.3
122.00898	0.3
171.10225	0.3
424.11707	0.5
437.12653	0.7
438.13443	3.8
439.13846	1.2
451.13867	0.7
452.15039	2.4
453.15399	0.9
465.11853	0.4
466.12814	0.4
467.13531	0.6
468.14658	0.5
479.13986	0.4
480.14716	0.9
481.15295	33.0
482.15576	7.9
495.16922	12.3
496.17139	3.2
497.18454	4.4
498.19080	0.9
509.14481	0.5
514.15094	2.4
515.15649	0.7
523.16437	0.7
525.14551	0.7
528.16479	0.7
539.15674	1.9
540.16492	8.4
541.16406	1.6
553.17456	0.7
554.18127	2.5
555.18982	49.6
556.19220	10.8
567.19067	0.8
572.15588	15.4
573.15741	3.5
586.17102	5.5
587.17285	1.3
609.20435	1.3
610.18994	0.4
627.21246	1.0
641.22705	26.5
642.22955	7.0
701.24847	66.5
702.25079	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.8
59.01270	7.9
61.67698	0.7
61.98702	1.6
62.71905	0.6
69.03350	0.9
69.27049	4.3
69.27479	3.3
69.77013	0.7
70.72028	0.7
71.01292	5.7
72.99194	0.7
73.02839	1.5
78.95798	0.9
82.12016	0.6
83.04890	0.9
85.02831	1.7
87.00751	1.1
89.02334	5.7
95.04943	1.2
97.06488	11.8
101.02343	5.2
111.08080	1.6
113.02338	2.7
119.03414	1.1
123.08096	7.0
125.09646	83.1
126.09995	3.3
127.87295	1.3
143.10739	1.0
146.78777	0.8
149.81430	0.8
153.09186	0.8
161.04524	1.9
168.91862	0.7
169.08636	3.0
170.08839	0.9
171.10231	59.0
172.10558	2.8
179.05573	1.0
181.12045	0.9
187.09731	67.3
188.10066	2.8
195.13785	1.7
197.11813	11.7
210.69055	0.6
211.09834	1.0
211.13333	1.7
223.13321	1.0
235.06039	0.7
235.08159	3.4
253.09395	8.9
263.20102	1.0
285.05630	1.2
291.19733	7.7
293.21326	6.1
294.21405	0.7
309.20782	21.5
310.20996	1.8
344.75934	0.7
405.17831	3.3
407.19208	0.8
423.18811	10.4
424.19077	1.3
527.29291	0.7
537.33954	0.9
545.29736	0.9
699.39771	100.0
700.40094	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2
Annotation	Prunose I
Peak:m/z	Relative Intensity
59.01266	4.5
61.98696	0.1
69.03340	0.2
69.46546	1.1
71.01277	0.6
71.04752	0.1
73.02832	0.6
82.70811	0.2
83.01279	0.2
87.00774	0.4
89.02348	0.3
89.03865	0.3
97.02827	0.2
101.02348	0.6
113.02356	0.3
116.97543	0.2
117.03375	33.7
118.03712	1.4
119.04938	2.4
121.57270	0.1
125.02261	0.1
143.03412	0.2
145.02887	100.0
146.02052	0.2
146.03227	4.6
161.04544	0.2
163.03955	6.7
164.04295	0.4
187.03976	0.3
205.05055	0.2
229.92133	0.1
274.77625	0.1
312.31516	0.1
323.09583	0.1
349.09290	0.3
383.12097	0.3
391.10580	0.2
425.12994	0.4
467.14127	0.5
595.16870	0.5
613.17749	1.0
614.17584	0.2
637.18048	1.3
638.17975	0.3
655.18964	2.8
656.19586	0.8
697.19995	11.1
698.20331	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	697.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.8
61.98704	0.3
69.03327	0.2
71.01270	0.7
73.02826	0.4
80.30603	0.1
81.45158	0.1
83.01279	0.3
84.01559	0.1
85.02859	0.3
87.00752	0.5
89.02334	0.2
89.03857	0.4
93.03374	0.1
97.02873	0.2
99.00771	0.1
101.02377	0.5
113.02367	0.3
116.02583	0.1
117.03374	39.5
118.03707	1.6
119.04939	3.3
120.05306	0.1
125.02357	0.2
135.04420	0.1
143.03432	0.2
143.04984	0.2
145.02885	100.0
146.03220	4.8
147.04451	0.1
155.03418	0.1
155.53914	0.1
161.04549	0.1
163.03952	5.0
164.04329	0.2
173.04449	0.2
187.03998	0.2
191.05594	0.2
205.05005	0.2
217.04999	0.1
255.30603	0.1
341.10980	0.2
349.09241	0.2
365.10764	0.1
383.12006	0.3
391.10419	0.3
400.22601	0.1
425.13132	0.3
467.14172	0.4
472.25323	0.1
595.17157	0.5
613.17786	0.6
637.17847	1.4
638.18134	0.3
653.33850	0.1
655.18903	2.6
656.18951	0.5
697.19977	11.2
698.20306	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	699.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
56.23901	0.5
57.03342	0.9
58.00480	1.3
58.67510	0.5
59.01264	28.1
61.98708	2.2
69.03331	1.1
70.24211	2.5
71.01270	22.8
72.01599	0.5
72.99183	2.1
73.02837	5.1
75.00764	1.2
78.95802	1.1
81.03363	1.2
83.01274	2.7
85.02833	4.9
87.00777	4.3
89.02336	24.5
91.03962	0.6
93.03357	0.8
95.01283	1.3
96.95927	1.7
97.02859	3.9
99.00779	1.2
101.02344	18.3
102.02741	0.7
111.04423	1.4
113.02367	8.1
119.03418	5.3
125.02360	9.1
131.03401	1.5
133.05061	0.6
139.03951	0.6
141.01848	0.8
143.03435	3.7
149.04532	0.6
159.31093	0.6
161.04492	5.1
169.04953	0.8
171.10211	2.3
173.04523	1.3
179.05617	4.6
191.05557	0.9
221.06743	1.2
233.69792	0.7
235.08249	11.2
241.21751	65.9
242.22131	5.5
253.09303	1.4
255.23227	0.7
263.07687	1.0
277.21805	1.0
287.07608	3.0
305.08862	4.2
323.09839	1.3
379.12778	0.9
397.13586	100.0
398.13892	8.5
415.14645	30.5
416.14905	1.8
639.36346	6.4
640.36694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76081	0.9
59.01244	1.3
60.44242	0.9
60.99182	2.1
65.00207	1.3
83.01246	0.9
88.98702	6.1
100.50294	0.8
107.01299	1.6
109.02802	1.0
121.02862	2.2
123.04397	1.0
125.02390	1.7
129.83105	1.0
139.00352	0.9
139.26588	0.9
141.37975	0.8
151.00307	9.4
162.10883	1.0
162.39842	0.8
163.00253	1.7
173.04521	1.1
178.99834	5.8
191.05489	1.2
226.02820	1.8
227.03477	2.1
234.97176	0.9
243.03032	5.6
244.03181	0.9
254.02216	1.7
255.03032	19.4
256.03430	2.1
271.02533	36.0
272.02957	5.4
273.03415	1.4
274.03519	1.1
280.61572	0.9
286.36823	1.0
300.02805	90.1
301.03503	39.2
302.03897	5.6
325.06915	0.9
478.39087	1.0
578.25592	0.9
609.14728	100.0
610.15015	18.8
655.16541	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	695.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55342	0.3
58.92489	0.3
59.01264	100.0
60.01603	1.1
78.95795	9.9
80.96420	1.3
117.89339	0.3
132.27702	0.3
149.00081	0.5
205.15965	0.7
327.94067	0.3
356.83640	0.4
363.62073	0.4
478.98706	0.4
496.85031	0.4
556.76703	0.3
619.81543	0.3
695.31165	32.7
696.31586	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	697.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01600	1.0
61.98722	0.6
71.59509	0.3
78.95815	0.2
96.95936	0.3
102.73717	0.3
116.92787	0.4
121.02853	2.2
142.34781	0.2
144.12123	0.2
145.02914	0.6
152.25154	0.2
165.01822	0.3
171.10197	2.0
173.04532	0.2
191.03514	0.9
199.81604	0.2
209.04532	1.3
281.07556	0.2
281.10754	0.2
289.18146	0.6
349.27823	0.5
546.33301	0.4
593.13525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2002
Annotation	Prunose I
Peak:m/z	Relative Intensity
59.01263	5.2
60.01611	0.1
61.98719	1.0
66.76802	0.1
69.03368	0.2
71.01263	1.1
71.28646	0.2
73.02825	0.5
78.95821	0.1
83.01283	0.3
85.02848	0.4
87.00777	0.7
89.02339	0.4
89.03873	0.3
93.03364	0.4
97.02847	0.1
99.00758	0.1
101.02331	0.8
113.02371	0.4
115.03892	0.1
116.02625	0.2
117.03375	38.6
118.03709	1.6
119.03516	0.2
119.04942	3.0
121.02871	0.1
125.02389	0.3
135.04454	0.1
137.02480	0.1
141.01843	0.1
143.03432	0.2
143.04860	0.2
145.02887	100.0
146.03223	4.9
147.04413	0.1
155.03426	0.1
161.04517	0.2
163.03960	5.0
164.04344	0.3
173.04529	0.5
179.05719	0.1
185.41507	0.1
187.04031	0.2
191.05615	0.3
196.74242	0.1
205.05075	0.2
209.11809	0.3
217.04968	0.1
236.62975	0.1
305.08801	0.1
323.09833	0.2
341.10907	0.1
349.09381	0.3
350.09818	0.1
365.10959	0.1
375.27454	0.2
376.76160	0.1
383.12088	0.3
391.10397	0.2
425.13260	0.3
449.27252	0.1
467.14038	0.4
491.29111	0.1
499.28827	0.1
595.16663	0.3
613.17737	0.5
637.17883	1.4
638.18274	0.2
653.33929	1.7
655.18958	3.1
656.19171	0.5
697.19940	11.6
698.20227	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	697.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.4
61.98711	0.3
69.03333	0.1
71.01269	0.6
71.07672	0.1
71.07996	0.2
71.94460	0.1
73.02832	0.3
83.01295	0.2
85.02852	0.2
87.00774	0.5
89.02339	0.3
89.03869	0.3
93.03361	0.1
97.02859	0.1
99.00750	0.1
101.02349	0.5
113.02368	0.4
116.02626	0.1
117.03376	36.1
118.03706	1.5
119.03492	0.1
119.04940	2.9
121.02901	0.1
125.02359	0.2
143.03479	0.2
143.04939	0.1
145.02887	100.0
146.03230	4.5
147.04492	0.1
161.04507	0.2
163.03955	5.9
164.04259	0.2
173.04538	0.2
187.03970	0.3
205.04924	0.1
217.05092	0.1
241.74028	0.1
323.10065	0.2
341.11072	0.2
349.09238	0.4
365.11029	0.2
383.12042	0.4
391.10455	0.3
425.12988	0.3
467.14188	0.4
595.16656	0.3
613.17438	0.4
637.17920	1.1
638.18054	0.1
655.18872	2.5
656.19427	0.4
697.19989	10.1
698.20471	2.1
698.32501	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1479
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.34748	0.4
54.73153	0.5
54.73446	0.4
60.78553	0.5
65.00208	0.9
68.07422	0.4
71.01283	0.4
71.24501	0.4
71.34389	0.9
83.41389	0.4
88.68233	0.5
107.01303	1.2
108.02074	2.0
115.54240	0.5
118.42441	0.4
121.02968	0.6
126.11086	0.4
134.17740	0.5
135.00842	1.1
139.04761	0.5
148.01575	2.1
151.00301	4.2
163.00252	1.1
164.01082	1.0
178.99852	3.5
199.03960	1.8
201.01797	0.6
211.03999	0.9
211.29166	0.5
215.03546	1.1
216.04147	0.5
226.02718	1.9
227.03554	3.8
243.03015	13.6
244.03323	0.9
245.04358	0.6
251.15273	0.5
254.02406	2.7
255.03017	33.3
256.03418	2.9
271.02527	74.8
272.02982	7.0
299.02011	2.8
300.02808	100.0
301.03259	12.0
370.38586	0.5
489.10922	0.6
609.14771	2.2
651.15778	72.0
652.16144	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	695.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13557	1.9
54.50718	1.5
59.01261	3.8
67.01773	2.9
69.03337	1.9
71.01263	3.2
71.56532	3.3
79.39114	1.6
85.02838	6.9
87.00781	2.1
88.98723	1.8
93.03365	22.3
96.96863	2.6
98.68015	1.7
111.00822	1.7
111.04411	4.0
116.91772	1.7
117.07146	2.0
127.03909	3.1
133.02824	1.8
134.03636	3.8
135.04449	55.5
136.04756	2.4
137.02380	4.1
141.01776	1.9
155.03432	4.0
161.02356	2.6
167.03416	2.6
173.04510	82.3
174.04849	2.4
179.03462	52.7
180.03799	3.6
181.52415	1.7
187.83195	1.7
191.05586	91.7
192.05881	2.1
192.42590	1.9
353.08832	100.0
354.09271	10.2
567.23859	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	693.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03329	1.4
58.00475	0.9
59.01265	16.7
61.98715	1.0
67.01788	0.4
69.03352	1.4
71.01272	13.3
71.01670	0.7
71.24651	0.5
71.24998	0.4
72.99186	1.6
73.02842	2.2
78.95780	0.5
81.03362	0.5
83.01290	1.5
85.02848	4.2
87.00774	2.5
89.02340	11.5
91.03899	0.4
93.03339	1.5
95.01286	1.0
96.95875	0.4
97.02847	2.1
97.12309	0.3
99.00773	0.7
101.01704	0.6
101.02345	10.9
111.00793	0.5
113.02345	4.1
113.09628	0.8
119.03410	3.0
119.04890	0.4
121.02889	0.4
125.02372	3.3
125.09576	0.4
129.01865	0.9
131.03421	0.6
133.02892	0.5
133.04857	0.3
134.03610	0.6
135.04466	0.6
137.02371	0.9
139.03868	0.5
141.01866	0.6
143.03430	2.2
149.04446	0.4
161.04488	1.7
163.03987	0.5
171.10214	6.5
173.04533	2.6
178.02718	0.7
179.05540	2.2
179.14383	0.8
185.00874	0.7
189.05550	0.7
195.13864	10.6
195.15569	0.7
196.14279	0.5
205.03455	0.8
209.11874	0.3
221.06685	0.8
223.04628	1.1
235.08206	3.6
253.09331	1.5
259.20834	0.3
263.07669	0.5
275.06287	0.9
275.20450	0.3
277.09460	0.5
277.21783	16.7
278.22156	1.3
287.07791	0.8
292.24847	0.3
293.21249	1.3
294.21512	0.3
295.22842	100.0
296.23172	8.2
305.08798	1.3
323.09866	0.8
397.13586	27.8
398.13934	2.4
399.14169	0.4
415.14655	25.2
416.15009	1.6
449.14169	0.3
655.38538	0.4
657.28534	0.3
693.36908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73177	31.0
71.57175	60.7
78.95809	100.0
94.99628	35.4
102.34818	32.7
152.99515	51.5
193.69283	33.9
264.07144	34.7
277.21735	92.6
375.36145	42.5
413.21259	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
57.03334	0.5
58.00478	0.5
59.01262	3.0
59.35653	0.2
61.98703	0.7
69.03326	0.6
71.01273	2.8
71.59483	0.2
71.59867	0.2
73.02838	0.8
78.95800	1.0
80.02534	1.1
81.03340	1.1
83.01265	0.7
83.04916	4.7
84.02049	0.7
85.02835	1.1
87.00771	0.3
87.12988	0.2
89.02339	1.9
93.03363	0.7
95.01291	0.3
95.04930	0.7
96.95928	0.3
96.96890	0.3
97.02866	0.3
99.00755	0.3
101.02357	2.4
109.55093	0.2
113.01668	0.3
113.02347	1.6
117.03388	1.8
119.03412	0.6
119.04932	0.4
122.05985	0.3
125.06007	0.6
125.09672	1.1
125.10452	0.2
127.11211	1.4
133.02863	0.3
134.03687	0.4
135.04503	0.2
135.08090	0.5
137.02319	0.3
143.03461	0.3
145.02885	5.6
145.04771	0.3
146.03212	0.2
150.02982	0.2
152.99533	0.8
155.10715	0.5
161.04520	0.8
163.11244	2.7
164.11595	0.3
165.09167	0.7
165.12822	2.2
171.10249	1.8
172.10599	0.3
173.04520	1.6
174.04781	0.2
175.03961	0.4
179.05598	0.6
181.12326	0.5
183.10213	0.3
185.00908	0.3
191.05615	0.8
191.10742	0.8
199.09793	0.5
201.11311	21.8
202.11618	1.5
207.10286	0.3
209.11823	100.0
210.12157	7.7
210.14211	0.2
211.12268	0.4
225.11366	0.7
226.11688	0.3
227.12895	15.3
228.13213	1.0
229.14487	0.2
235.08240	2.7
253.09328	8.3
254.09799	0.5
255.29828	0.2
277.21777	1.5
285.55817	0.2
393.22754	0.6
413.20975	0.4
431.73810	0.2
437.20313	1.2
445.20755	2.5
446.21036	0.2
463.21783	0.3
611.30060	0.4
622.16498	0.2
629.31921	0.3
637.32489	0.7
655.19061	0.5
655.33185	0.3
669.09576	0.2
673.33405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17560	0.5
57.03332	1.8
58.00484	0.5
58.46227	0.4
58.60334	0.5
59.00998	0.6
59.01265	9.7
61.07701	0.4
61.98709	2.0
69.03340	3.0
71.01266	11.0
71.59415	0.7
72.01607	0.5
72.99197	0.7
73.02841	1.4
75.17390	0.5
78.95799	2.5
80.02580	0.7
81.03359	1.2
83.01278	1.5
83.04903	4.7
84.02056	0.9
85.02844	2.8
87.00773	2.6
89.02345	6.4
93.03370	1.1
95.01302	0.9
95.04936	1.6
97.02866	1.4
97.06490	4.4
99.00760	0.7
101.02345	7.6
109.06510	0.8
113.02357	4.1
119.03422	1.6
125.02390	1.3
125.09631	0.9
133.10147	1.0
135.08002	0.6
141.01826	0.7
143.03400	1.0
145.04959	0.5
151.11217	14.2
152.11572	1.1
152.99541	2.4
161.04503	1.8
163.11261	3.3
165.12833	2.2
169.12294	68.5
170.12610	3.8
171.10234	1.3
173.04524	3.3
179.05562	0.9
181.12299	0.6
185.00896	1.5
185.11748	0.7
191.05624	1.0
191.10779	0.8
195.10268	2.1
197.11816	3.8
209.11816	56.1
210.12151	3.9
211.13419	0.5
213.11298	10.1
214.11630	0.8
223.17070	3.9
227.12900	4.5
235.08339	2.2
253.09314	3.9
275.20236	3.1
277.21750	3.1
293.21295	18.7
294.21579	2.0
303.06595	0.7
334.48651	0.5
397.13589	8.5
398.14014	0.7
413.21152	1.4
415.14545	5.2
431.19089	1.3
449.20377	4.9
461.63812	0.5
505.32129	0.6
641.31805	2.1
659.32996	100.0
660.33319	18.4
691.35474	9.9
692.36157	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	691.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03329	0.6
58.00476	0.7
59.01265	14.6
61.98697	0.5
65.31666	0.2
68.28125	0.2
69.03332	1.2
71.01270	12.6
72.99216	1.1
73.02831	1.9
75.00766	0.3
78.95804	0.3
81.03348	0.3
83.01271	1.2
85.02835	3.0
87.00773	2.7
89.02337	10.9
91.03908	0.2
95.01284	1.0
95.88753	0.2
97.02863	1.7
98.81123	0.2
99.00810	1.0
99.01392	0.2
101.02346	9.6
102.02644	0.3
109.02874	0.3
111.08060	0.4
113.02362	4.1
113.09608	0.3
114.02721	0.2
119.03418	2.5
119.70710	0.2
125.02366	3.3
127.03899	0.3
131.03409	0.3
133.04965	0.2
139.03850	0.3
141.01854	0.3
141.09207	0.3
143.03427	1.6
149.04478	0.4
161.04486	2.1
167.10730	0.4
171.10217	0.2
173.04282	0.3
177.12787	0.3
179.05544	2.4
179.14378	0.9
185.00844	0.3
191.05574	0.3
195.13885	8.3
196.14490	0.9
197.15401	0.2
205.12325	0.5
205.15988	0.5
209.11850	0.3
211.13449	0.5
221.06737	0.9
223.13390	5.6
224.13857	0.4
225.15015	0.4
228.13654	0.4
231.21198	0.4
235.08223	3.5
253.09302	1.2
256.13086	0.8
265.21713	0.6
275.20193	4.2
276.20749	0.3
287.07761	0.9
293.21286	100.0
294.21594	8.4
305.08804	0.6
323.09802	0.5
373.11053	0.2
397.13574	23.5
398.13806	1.8
415.14651	25.1
416.14868	1.6
654.27997	0.4
691.35443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28649	0.2
55.01764	0.5
57.03316	0.5
58.00483	1.0
59.01265	19.1
68.99696	0.2
69.03350	1.0
71.01270	14.9
71.08688	0.4
72.99176	0.8
73.02843	2.1
80.70866	0.2
81.03329	0.7
83.01275	1.3
85.02839	3.4
87.00764	2.8
89.02338	12.3
93.03334	0.3
95.01270	0.9
95.04930	0.4
97.02834	1.9
97.06453	0.2
99.00790	1.0
101.02346	10.5
102.02645	0.3
111.00783	0.3
111.04407	0.3
111.08079	0.4
113.02359	5.0
113.09638	0.4
115.03971	0.2
119.03410	3.0
124.01630	0.2
125.02369	3.3
127.03938	0.3
131.03427	0.6
133.04996	0.2
141.01868	0.3
141.09196	0.3
143.03455	1.9
145.78421	0.2
146.85890	0.2
149.04510	0.3
161.04474	1.8
165.92915	0.2
167.10757	0.3
177.12799	0.2
179.05573	2.6
179.14349	0.7
181.12311	0.2
185.04507	0.4
195.13885	8.4
196.14513	1.0
205.12343	0.9
205.15997	0.6
208.21706	0.2
211.13391	0.5
217.07185	0.4
221.06618	0.7
223.13394	6.7
224.13789	0.5
228.13693	0.6
228.96132	0.2
231.21152	0.4
235.08234	3.5
249.22218	0.3
253.09322	1.1
256.13141	0.9
263.07715	0.6
265.21796	0.6
275.20206	4.7
276.20569	0.4
277.09326	0.3
287.07858	0.5
293.21283	100.0
294.21609	11.2
305.08835	0.8
323.09943	0.6
397.13577	21.1
398.13922	2.2
415.14661	25.1
416.14996	2.3
653.15656	0.2
654.27582	0.3
691.35352	1.0
692.35950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.0
61.98730	0.3
69.03339	0.2
70.93353	0.5
71.01270	1.6
72.99200	0.2
73.02834	0.7
75.00764	0.2
78.95793	0.8
80.02565	0.3
81.03364	0.3
83.01283	0.5
83.04909	1.5
85.02836	0.7
86.75854	0.1
87.00797	0.8
89.02335	1.1
89.03893	0.2
89.78462	0.1
93.03356	0.6
95.01326	0.2
95.04932	0.3
97.02858	0.2
99.00761	0.3
101.02341	1.6
102.94458	0.1
109.06432	0.1
111.00756	0.1
113.02391	1.1
116.02676	0.2
117.03377	32.1
118.03708	1.4
119.04943	5.2
120.05279	0.2
125.02377	0.3
125.09607	0.3
127.11212	0.6
129.01855	0.2
131.03416	0.2
135.04486	0.2
141.01851	0.2
145.02887	100.0
146.02055	0.3
146.03223	4.9
152.99492	0.5
161.04509	0.6
163.03957	4.0
163.11244	1.2
165.12810	0.7
171.10229	1.2
172.10573	0.2
173.04500	0.5
173.05965	0.3
181.12355	0.2
187.04027	0.2
191.05586	0.3
191.10779	0.3
199.09727	0.3
201.11302	8.2
202.11589	0.4
205.04956	0.2
209.11815	37.4
210.12128	1.5
217.05096	0.3
225.11305	0.6
226.11656	0.3
227.12909	5.6
227.15157	0.3
235.08284	1.1
248.47960	0.2
253.09331	3.1
307.08282	1.5
323.09830	0.4
341.10834	0.5
375.21964	0.3
381.02054	0.1
383.11954	0.8
385.62283	0.1
393.22803	0.3
437.20483	0.4
445.20718	1.0
482.44858	0.2
559.20166	0.2
571.16919	0.3
613.17657	2.4
614.18109	0.3
637.32159	0.3
655.18927	33.4
656.19244	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	691.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.3
57.31743	0.2
59.01262	5.4
61.45090	0.3
61.98735	0.6
65.85715	0.2
67.01772	0.3
67.39520	0.2
69.03336	0.7
71.01271	2.3
71.36359	0.3
71.58646	0.4
72.22397	0.3
73.02837	0.7
76.64968	0.2
78.95793	0.5
83.01278	0.7
83.04937	0.4
85.02842	1.1
85.45187	0.3
87.00768	0.7
87.79478	0.2
89.02332	1.0
93.03358	0.9
95.01277	0.6
96.95925	0.9
97.02886	0.7
99.00781	0.4
101.02344	1.6
109.02941	0.3
113.02375	0.8
117.03374	30.1
118.03699	1.2
119.03503	0.4
119.04937	4.5
122.06065	0.5
125.02394	0.6
129.01788	0.3
134.03615	0.3
135.04486	0.3
137.02391	0.3
138.61259	0.3
143.03462	0.6
145.02885	100.0
146.03239	4.8
149.14142	0.3
152.07146	0.5
155.03438	0.3
160.01633	0.4
161.02345	0.3
161.29385	0.3
163.03943	4.8
163.05215	0.4
171.10152	0.5
173.04529	1.8
173.05804	0.3
175.03957	0.3
179.05603	0.6
191.05615	0.7
201.11186	1.4
209.11812	5.2
210.12248	0.3
217.05020	0.4
227.12927	0.9
232.52132	0.2
253.09572	0.5
262.87079	0.3
284.79572	0.3
297.11932	0.4
303.13568	0.5
349.09256	1.5
375.27606	0.7
383.11957	0.4
501.09036	0.3
595.16888	1.1
613.17841	2.9
655.18939	26.1
656.19165	4.3
656.29382	0.3
691.26984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01268	4.8
61.98717	0.5
69.03326	0.6
69.46758	0.4
69.47167	1.4
71.01269	1.7
73.02821	0.6
75.00738	0.2
78.95792	0.3
83.01283	0.5
85.02847	0.7
87.00765	0.8
89.02351	0.8
89.03853	0.4
93.03365	0.8
95.01291	0.4
96.95930	0.5
97.02865	0.2
98.19829	0.4
99.00779	0.3
101.02351	1.4
105.13618	0.2
113.02356	1.0
117.03377	30.7
118.03715	1.7
119.04932	3.8
120.05223	0.3
121.02911	0.3
122.06027	0.3
125.02351	0.3
133.02870	0.3
137.02376	0.3
145.02887	100.0
146.03221	5.4
149.29318	0.2
152.07103	0.8
152.99487	0.3
161.02383	0.3
163.03957	5.8
169.46021	0.2
171.10175	0.5
173.04527	1.3
177.01823	1.3
179.03456	0.2
184.05095	0.2
186.52864	0.2
187.03951	0.3
191.03722	0.3
191.05594	0.9
199.51404	0.2
201.11267	0.6
205.04906	0.2
209.11818	2.0
220.41730	0.2
227.12941	0.9
277.21930	0.3
291.06821	0.4
298.11539	0.2
323.09930	0.6
339.07278	0.5
341.11093	0.5
347.23578	0.2
349.09293	0.3
383.11902	0.8
449.30768	0.2
571.16736	0.4
595.16925	1.6
596.17133	0.4
613.08832	0.3
613.18073	3.2
614.17950	0.5
655.18933	33.5
656.19281	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	689.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08112	3.7
78.95792	34.8
82.91922	1.7
96.96852	2.3
97.02847	6.9
99.00780	2.9
109.06515	2.7
120.34840	1.8
125.09621	1.8
142.02586	2.2
152.99524	55.9
163.11197	9.1
171.00609	4.5
181.12299	29.1
207.10245	56.8
208.10533	3.2
212.37125	1.6
224.69292	1.9
225.11328	100.0
226.11652	6.8
227.03282	3.4
245.04530	1.8
253.21805	19.6
254.22185	2.2
270.27847	1.6
361.10593	9.3
435.14429	5.0
453.15417	93.8
454.15692	9.1
543.82172	1.9
689.36823	52.6
690.37531	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	691.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40820	0.2
56.05949	0.2
59.01266	6.6
61.98726	0.6
69.03336	0.9
69.87947	1.4
71.01271	2.7
73.02840	0.9
78.95801	0.7
80.02555	0.4
81.03355	0.5
83.01268	0.7
83.04901	1.8
84.02048	0.3
85.02854	1.0
87.00773	0.9
87.35428	0.3
89.02351	1.7
89.02827	0.3
93.03361	0.9
95.01286	0.4
96.95912	0.6
97.02880	0.4
99.00763	0.3
101.02347	2.3
111.04412	0.3
113.02361	1.5
117.03378	29.6
118.03699	1.2
119.03435	0.6
119.04947	3.5
121.02892	0.4
122.05979	0.2
125.02369	0.6
125.05993	0.4
125.09620	0.7
127.11183	0.5
134.03725	0.3
135.04454	0.6
143.03479	0.7
145.02888	100.0
146.03221	5.2
147.04475	0.3
152.07089	0.4
152.99529	0.6
161.04494	0.8
163.03970	4.3
163.11223	1.2
165.12784	0.8
171.10219	2.9
172.10561	0.9
172.50044	0.3
173.04553	1.8
179.03404	0.3
179.05569	0.5
181.12234	0.4
185.00880	0.6
191.05586	1.1
191.10759	0.4
199.09767	0.3
199.13380	0.3
201.11311	9.1
202.11624	0.4
207.10196	0.5
208.10643	0.4
209.11819	38.9
210.12151	3.5
211.12373	0.4
213.11008	0.3
217.05087	0.3
225.11382	1.4
225.96130	0.3
226.11659	1.0
227.12888	5.6
228.13203	0.6
235.08229	1.2
253.09311	3.1
254.09703	0.4
277.21570	0.6
323.09915	0.4
341.10999	0.7
349.09412	0.8
359.62091	0.3
365.11310	0.4
383.12079	0.7
437.20413	0.4
445.20761	0.7
571.16693	0.4
595.16455	0.9
613.18146	2.6
614.18402	0.4
629.32599	0.3
647.33777	0.3
655.18951	24.5
656.09076	0.5
656.19110	4.2
656.29541	0.4
691.30792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	29.2
61.98723	2.8
69.03326	3.2
70.95060	6.3
71.01273	22.6
73.02839	5.3
78.95799	3.9
83.01280	2.7
85.02846	7.9
87.00780	3.7
88.98700	7.6
89.02336	19.6
90.54260	2.2
96.95883	2.6
97.02856	6.0
98.20529	3.3
101.02341	20.9
113.02356	7.0
119.03437	8.3
125.02357	7.3
143.03333	2.3
148.11057	2.1
161.04468	2.9
173.04538	3.2
179.05595	5.8
227.20168	76.8
228.20508	6.2
235.08260	9.7
279.23456	3.0
305.09033	5.2
397.13565	100.0
398.13882	9.3
415.14594	28.7
416.15002	3.3
625.34570	7.1
634.36493	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	687.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74922	0.4
57.03332	1.1
58.00490	0.4
59.01268	6.1
61.98702	1.6
62.79819	0.4
68.99713	0.4
69.03343	5.8
69.27688	4.7
71.01267	7.6
71.04897	1.7
72.99171	0.8
73.02814	1.7
78.95786	2.2
80.02572	1.1
81.03342	1.4
83.01279	1.6
83.04916	4.1
83.59689	0.4
84.02063	0.8
85.02857	2.1
87.00752	1.3
89.02354	3.1
90.69949	0.5
90.70528	0.4
93.03362	0.4
95.01311	0.5
95.04921	1.0
96.95908	0.7
97.02850	2.2
97.06477	0.8
99.00770	3.6
99.04370	0.4
101.02335	4.8
109.06487	1.7
110.03680	0.5
111.04366	0.4
113.02367	2.2
119.03393	1.1
123.08067	1.2
125.02319	0.6
125.06044	0.5
125.09657	3.1
135.08061	0.9
137.05899	0.5
137.09624	0.6
149.09679	0.7
151.07613	0.5
151.11174	2.3
152.07047	0.5
153.12766	1.1
160.01506	0.4
161.04466	1.6
161.09660	3.6
163.11243	5.2
165.12778	1.5
169.12265	1.3
169.15556	0.4
171.10223	6.5
173.04504	1.4
174.61426	0.4
179.10733	6.1
180.11023	0.5
181.12311	3.3
181.54295	0.4
185.00865	1.7
185.11906	0.7
191.05646	0.9
191.10709	0.9
197.11812	47.0
198.12149	2.5
199.13345	1.6
201.11298	0.7
205.08786	0.7
207.10245	7.4
208.10570	0.6
209.11816	47.5
210.12154	3.5
223.09764	2.6
225.09499	0.4
225.11325	9.6
226.11594	0.8
227.12898	4.2
228.13153	0.6
235.08249	0.9
241.08482	0.5
241.10764	2.8
243.12372	2.7
253.09346	3.1
315.14325	0.4
407.19104	0.5
459.18329	0.7
461.20398	0.9
477.19873	2.1
479.21567	0.7
501.30615	0.5
651.30426	0.7
669.31158	2.2
687.32391	100.0
688.32782	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	683.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.7
57.03325	1.1
58.84806	0.7
59.01265	16.5
60.99198	4.3
61.98717	5.0
69.03339	1.9
70.76792	1.5
71.01270	16.0
71.04860	0.8
72.99197	1.7
73.02814	1.9
75.00780	0.9
81.03341	1.0
83.01263	1.8
85.02850	3.5
87.00778	4.2
88.98170	1.3
88.98699	24.7
89.02342	8.8
93.03335	1.5
95.01270	1.3
96.95904	2.3
97.02856	9.1
97.22314	0.7
99.00171	1.2
99.00779	13.4
101.02341	7.7
109.06491	1.4
113.02365	4.1
119.03429	2.8
125.02387	4.3
125.09614	2.7
126.00591	0.8
132.80467	0.8
135.04453	1.4
137.02382	1.3
142.02643	2.2
143.03473	0.9
145.02905	0.8
151.00305	1.3
161.04573	1.0
163.11244	7.9
173.04541	3.7
179.05539	1.0
181.10806	1.4
181.12323	18.5
182.12540	1.5
191.05455	1.9
197.11810	1.2
199.13359	2.5
207.10265	41.9
208.10611	2.8
215.07133	1.1
225.11337	75.6
226.11620	4.8
227.03525	1.8
235.08244	3.1
243.12422	25.6
244.12689	1.3
255.03052	3.9
257.08350	1.8
263.07715	1.3
271.02521	1.0
284.03320	6.1
285.04050	8.8
286.04095	1.5
300.02603	1.2
317.16193	1.4
397.13623	9.5
398.14185	0.9
402.48135	0.8
415.14575	2.9
593.15271	13.0
594.15540	3.0
623.25659	100.0
624.26025	16.4
639.17126	2.0
653.29327	0.8
661.13611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85806	0.4
57.03133	0.4
57.03344	4.1
59.01262	4.4
61.98714	2.1
64.01903	0.4
64.22048	0.5
68.96361	0.4
69.03340	0.7
71.01283	4.1
71.04921	0.4
71.58940	0.7
73.02834	1.2
73.09087	0.5
83.01228	0.5
83.04898	0.8
85.02843	1.6
87.00766	1.8
89.02338	1.3
95.04939	1.7
97.02893	0.6
97.06488	13.7
98.06854	0.5
101.02346	3.9
113.02357	1.7
117.38033	0.4
119.03384	0.6
123.08084	8.7
125.02374	0.5
125.09645	82.6
126.09969	3.8
143.03432	0.6
143.10681	1.2
145.05029	1.3
161.04504	1.5
169.08656	1.4
187.09726	35.4
188.10014	1.5
235.08247	2.0
253.09322	2.9
277.21790	40.1
278.22144	4.0
358.47980	0.4
405.17746	4.5
423.18872	3.6
424.19125	0.6
521.34570	0.7
683.40271	100.0
684.28778	1.1
684.40588	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	683.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
56.00702	0.3
57.03341	4.3
58.00483	0.4
58.44735	0.2
59.01265	5.9
59.01542	0.5
61.98719	0.9
69.03346	0.4
70.88230	0.5
70.88563	0.6
71.01266	5.1
73.02824	0.5
77.13025	0.3
77.13498	0.2
80.02540	0.4
83.04919	0.8
85.02840	0.6
87.00764	0.5
89.02341	4.4
95.01348	0.3
95.04927	1.3
97.06493	14.4
101.02348	3.7
109.90768	0.3
113.02377	2.1
119.03416	1.0
123.08083	8.1
125.02386	0.4
125.09647	100.0
125.77427	0.3
126.09953	3.4
131.93065	0.3
143.10715	1.5
154.48274	0.3
161.04550	0.9
167.10847	0.4
169.08659	2.5
179.05591	0.7
187.09731	73.1
188.10088	3.6
201.11278	0.5
211.09712	0.8
232.01828	0.3
253.09396	2.4
255.23219	0.3
259.95685	0.3
261.13513	1.0
275.41687	0.3
277.21796	14.7
278.22098	1.4
383.90005	0.3
405.17725	4.5
406.18011	0.3
423.18799	13.6
424.19101	1.5
429.74805	0.3
521.34875	0.5
546.79968	0.3
683.40277	89.4
684.40625	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	685.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45105	0.4
54.11429	0.4
59.01264	12.1
61.98719	4.2
64.42507	0.5
69.03352	2.0
71.01266	3.7
72.99195	0.4
73.02839	1.8
78.95780	2.0
81.43816	0.5
83.01293	1.6
85.02836	1.5
87.00780	1.4
89.02342	1.6
93.03365	0.8
95.01280	0.8
96.96854	0.6
97.02843	1.0
97.06478	0.4
98.19742	0.9
99.00766	0.9
101.02351	2.7
111.04406	0.7
113.02360	1.0
117.03367	1.3
123.04361	0.6
123.08028	0.4
125.02377	1.5
132.02101	23.3
133.02458	0.9
134.03671	9.5
135.04399	0.7
137.02367	0.8
143.03423	0.6
145.02928	2.6
149.06032	2.3
150.06808	17.4
151.07349	0.4
152.99515	1.0
160.01608	81.6
161.01938	4.3
162.06839	0.5
163.07565	3.2
164.08386	5.3
171.10258	0.9
172.27351	0.5
173.04456	2.2
175.03964	100.0
176.04309	6.2
177.01852	0.7
177.09158	0.5
178.09839	0.5
179.05589	0.5
179.07275	0.5
179.10750	10.4
185.00885	1.2
186.01321	0.4
191.05540	0.9
193.05028	13.1
194.05461	0.8
225.11366	0.6
229.31491	0.5
247.06146	0.7
255.23244	1.5
277.41553	0.5
306.18399	0.5
313.20358	3.1
325.20322	1.0
343.21219	0.6
373.25891	0.6
379.10333	2.9
391.22525	0.7
425.13034	1.1
475.30920	1.5
477.32193	0.5
493.31836	3.7
505.31561	3.3
522.32654	0.8
523.32910	5.2
583.16803	1.7
601.17749	1.2
625.17877	1.8
626.19110	0.6
643.18890	5.7
644.19318	1.4
654.58240	0.5
685.20306	15.2
685.38202	43.8
686.20691	3.6
686.38800	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	679.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03332	0.9
58.00481	2.3
59.01266	35.5
61.98710	0.8
64.98552	0.3
68.91116	0.4
69.03334	1.8
71.01271	32.5
71.56673	0.5
72.99197	2.8
73.02839	4.8
75.00752	0.9
78.95766	0.4
79.95625	0.4
80.96402	0.8
81.03333	1.5
83.01276	3.4
85.02838	7.1
85.99986	0.5
87.00771	7.9
89.02338	27.2
93.39536	0.4
95.01272	2.2
96.18741	0.4
97.02847	7.0
99.00787	2.3
99.04501	0.6
100.85809	0.4
101.02345	26.3
102.02636	0.4
109.02840	0.7
111.00797	0.7
111.04423	1.7
113.02359	13.7
115.03922	0.6
119.03416	7.4
121.02860	0.6
123.04427	0.4
124.01584	0.7
125.01449	0.7
125.02371	11.8
127.03976	0.4
131.03400	1.5
133.04982	1.1
137.02321	0.6
139.03918	1.2
140.57175	0.4
141.01782	0.4
143.03426	5.8
149.04503	1.0
151.00264	0.8
161.04501	6.2
167.03450	0.6
169.05006	0.7
171.03004	0.4
179.05583	5.9
185.04504	0.4
213.20270	0.4
217.07159	0.9
221.06656	2.5
223.40131	0.4
227.39638	0.4
235.08247	14.3
236.08585	1.0
245.06664	0.6
253.09383	2.6
263.07803	1.3
277.09351	0.9
281.24911	100.0
282.25244	10.6
287.07855	3.4
305.08798	3.2
323.09857	1.8
379.12488	0.9
397.13577	90.6
398.13998	6.5
415.14655	34.1
416.15024	2.8
624.72351	0.5
669.99451	0.4
678.77820	1.4
679.28131	0.6
679.39301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
59.01273	2.2
60.99175	0.4
65.03845	0.6
65.43918	0.3
67.01782	4.8
69.03338	1.1
71.01265	3.8
71.58392	0.3
72.99166	0.3
73.30457	0.3
81.03365	0.9
83.04919	1.0
85.02848	0.8
87.00800	0.3
93.03358	31.6
93.46468	0.3
94.03690	0.7
95.01283	0.5
95.04923	0.8
96.95908	0.6
99.04427	0.3
105.03384	2.5
109.02856	1.2
110.19593	0.3
111.00771	1.0
111.04431	5.0
113.02330	0.5
125.02312	0.3
127.03915	0.5
133.02884	13.3
134.03419	0.4
135.03418	0.6
135.04451	12.4
136.04735	0.4
137.02376	3.9
138.07382	0.3
139.00340	0.5
139.69220	0.3
153.01852	0.7
154.02644	0.4
155.03459	5.1
161.02393	4.9
173.04512	100.0
174.04868	3.4
177.01898	7.7
178.02422	0.4
179.03461	13.6
180.03793	0.6
191.05571	2.6
213.40434	0.3
241.10480	0.3
307.93713	0.3
317.08865	1.3
335.07791	6.7
351.07608	0.4
353.08850	7.9
353.13181	0.5
354.09161	0.7
515.14111	0.4
521.13568	0.4
568.69086	0.4
584.90820	0.3
683.18408	6.6
684.18549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.9
58.00476	1.5
58.04559	0.4
59.01266	32.0
70.96979	0.4
71.01272	25.5
71.15661	1.0
71.16005	0.7
72.51596	0.4
72.65634	0.4
72.99198	1.3
73.02849	0.8
73.84068	0.5
75.00773	0.5
83.01288	0.9
85.02843	4.2
87.00748	2.2
89.02337	33.1
93.03363	0.6
95.01257	0.8
96.96839	0.7
101.02354	11.8
111.04462	0.6
113.02361	11.0
115.72305	0.4
119.03424	10.0
122.40629	0.5
131.03438	1.4
133.01450	0.7
135.04399	0.5
143.03429	3.5
146.25644	0.5
149.04533	1.1
160.05162	0.5
161.04482	3.2
170.78229	0.5
173.04549	1.8
179.05583	12.9
179.07156	0.7
191.05586	1.1
292.93546	0.5
341.10974	100.0
342.07504	0.6
342.11343	7.1
563.39673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24332	1.4
55.01759	2.7
57.03333	4.8
58.00474	6.1
59.01263	95.3
61.98705	6.0
68.01284	1.5
68.99695	3.3
69.03336	5.0
69.42416	15.8
71.01269	92.1
72.01607	2.1
72.99192	6.0
73.02835	21.7
75.00787	2.0
75.19774	1.7
76.84412	1.6
78.95817	2.1
81.03368	2.2
83.01289	8.2
85.02843	24.2
87.00790	8.2
89.02335	98.5
93.03342	5.6
95.01306	6.3
96.95901	3.4
97.02857	5.7
98.19711	2.7
99.00777	19.9
101.02345	61.3
111.00802	3.4
113.02354	35.5
119.03416	20.0
121.02833	2.2
123.04395	2.6
125.02334	7.8
129.01866	2.3
131.03410	13.6
133.02875	3.4
135.04416	4.5
143.03430	8.6
149.04482	40.8
155.03372	1.8
159.02931	2.7
161.02367	3.7
161.04524	16.0
167.10742	14.9
172.05257	5.6
173.04524	11.9
175.03914	2.1
179.03374	2.9
179.05560	39.4
187.04013	3.5
187.07623	49.1
188.07884	4.2
191.05562	12.1
191.10771	7.4
199.03928	2.3
200.04703	3.7
201.14957	4.5
209.11763	4.9
213.09181	6.0
215.07182	12.7
221.06639	5.2
221.11850	5.8
227.03555	3.9
228.04268	3.1
229.08759	4.2
231.06639	4.9
250.99529	1.7
251.07779	7.2
255.84851	1.7
257.08234	82.2
258.08551	8.4
263.07672	4.4
275.07733	12.2
293.08923	7.0
323.09863	2.7
341.11093	5.6
371.11942	2.0
383.11954	4.5
455.14331	6.4
503.32501	3.9
521.21118	2.1
521.33392	16.2
522.34192	2.4
586.15448	2.5
639.19379	9.5
682.37238	2.4
683.22443	3.1
683.38745	100.0
684.39178	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	677.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65347	0.1
54.04781	0.1
55.61411	0.1
58.02848	0.3
59.01255	0.3
59.62623	0.1
61.98716	1.1
69.03344	0.4
71.01258	0.3
71.58001	0.1
75.00336	0.1
80.04930	0.2
81.03346	7.1
82.03706	0.1
83.04913	18.3
84.05238	0.5
85.02876	0.1
85.64531	0.1
93.03389	0.1
95.03042	0.1
97.02850	0.1
100.07597	0.2
100.32049	0.1
101.02329	0.2
107.06051	0.4
108.04464	0.7
125.07115	1.3
126.05515	0.5
137.02440	0.1
138.61577	0.1
143.08194	0.5
157.13409	0.2
173.04567	0.2
181.17052	0.1
185.00865	0.2
199.18155	0.1
207.15028	1.4
208.13399	0.1
222.15971	0.1
224.17694	2.5
225.16083	13.0
226.16434	0.9
242.18761	0.7
250.15627	0.1
268.16656	0.2
290.22504	0.2
291.20749	0.2
309.21915	0.9
324.26523	0.6
333.22943	1.1
339.27869	0.2
341.29242	1.0
350.24600	0.1
351.24203	0.3
367.27237	0.9
385.28278	0.3
407.33804	0.2
433.31949	1.3
448.33466	0.1
450.34644	1.4
451.33002	6.5
452.33273	0.9
468.35626	0.1
533.41388	0.1
535.38440	0.2
550.43732	1.0
551.44116	0.2
552.31250	0.1
559.40082	0.4
565.44635	0.3
567.45544	0.1
593.44128	0.6
594.43744	0.1
659.48889	1.4
660.49084	0.2
677.49811	100.0
678.50134	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	679.1532
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
57.59076	0.3
59.01270	1.7
61.98709	0.5
63.02298	0.5
65.00214	0.4
68.54188	0.3
69.03323	0.5
73.02838	0.5
85.46674	0.3
93.03365	0.4
96.95920	0.5
98.19785	1.0
101.02345	0.6
107.01303	1.5
131.87508	0.3
132.02133	1.1
135.00819	1.5
135.04459	0.7
151.00314	2.3
161.02359	1.2
163.00356	1.0
164.01122	0.7
169.01424	0.6
173.04503	0.8
178.99799	1.3
179.03362	0.9
183.04453	1.0
185.02464	0.5
187.04056	0.6
191.05602	0.8
200.04851	0.6
211.03961	1.9
221.04582	0.5
227.03500	41.9
228.03871	3.7
229.05057	1.3
229.73930	0.4
239.03482	1.0
255.03023	79.8
256.03513	10.6
257.04514	1.3
283.02548	1.6
284.03320	100.0
285.03888	14.3
286.04395	0.7
327.05371	0.4
471.09476	0.8
489.10226	0.5
593.15686	0.4
635.16278	77.0
636.16589	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	677.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71643	0.4
57.03335	1.6
58.24785	0.4
59.01267	2.6
61.98736	0.7
69.03350	1.7
69.47639	3.5
71.01280	2.4
71.04900	0.7
80.02562	0.6
81.03351	0.7
83.04919	1.4
84.02081	1.2
85.02828	3.0
89.02349	0.8
93.03344	2.3
95.01295	0.6
95.04922	1.7
96.95895	0.9
97.02869	1.9
97.06496	3.6
99.00806	0.4
101.02350	1.0
108.02076	0.8
109.02876	1.1
109.06493	0.7
110.03658	0.4
111.04430	0.9
113.02329	0.7
120.94218	0.5
121.02917	0.6
123.04452	0.6
123.08051	0.6
125.09658	1.1
127.07533	0.9
127.11235	0.7
131.79335	0.5
134.03638	1.3
135.04454	2.2
135.08125	0.5
137.02365	1.6
137.09662	1.9
139.11269	0.6
141.09122	0.9
142.54747	0.4
145.02892	2.0
146.03143	0.4
147.11775	0.5
149.06033	1.3
149.09688	0.5
151.11183	2.6
152.02550	0.4
153.12779	1.1
155.03474	0.8
155.10739	0.8
159.04462	0.7
160.01683	0.5
162.10457	0.5
163.11235	2.0
165.08893	0.5
165.12796	12.9
166.13066	0.9
167.10611	0.7
167.14342	0.8
169.12285	11.1
170.12613	0.7
171.10228	6.3
172.10425	0.4
173.04543	3.7
175.03990	0.5
175.11227	0.6
177.12794	0.7
178.02692	0.8
179.03465	0.5
179.10649	1.2
181.08470	0.6
181.12239	0.6
183.13887	2.4
185.00873	1.1
185.05977	0.8
185.11790	1.6
187.07607	0.9
191.05478	2.3
193.06873	0.8
193.08455	8.0
193.12254	2.0
197.11807	1.0
199.07568	0.6
199.13457	0.6
201.09380	0.7
201.11299	3.9
203.10709	1.1
205.12061	2.6
207.10011	12.3
208.10483	0.6
209.07928	1.1
209.11824	7.4
210.12120	0.5
211.07671	0.7
211.13367	15.1
212.13785	0.7
213.09143	2.0
213.11205	1.0
215.10561	0.9
219.10075	3.7
221.11649	7.7
222.12073	0.8
223.09572	0.7
225.09158	0.5
227.12845	1.0
229.14453	7.8
231.10048	7.8
232.10524	0.5
233.11604	67.0
234.11957	3.9
235.09529	0.8
239.12917	1.5
243.10049	1.8
247.09612	1.4
248.10345	1.7
249.11243	11.0
250.09598	0.5
251.12607	12.2
252.11359	0.7
253.09460	0.6
255.13976	2.0
261.11154	15.2
262.11505	0.9
265.10657	0.9
276.07553	0.5
278.11444	0.7
279.11121	0.8
291.19672	1.9
308.09085	0.7
309.20724	0.6
313.17981	3.3
321.30075	0.5
327.21832	63.7
328.22086	5.4
331.18933	7.1
349.20023	100.0
350.20401	9.2
352.08173	0.9
391.22821	1.9
409.23856	2.1
427.24960	10.7
428.25131	2.1
442.54123	0.6
449.20129	1.0
471.23865	2.4
472.24161	0.5
633.31134	3.3
634.32202	0.8
645.29260	6.9
646.29553	1.7
659.32874	8.0
660.33307	1.5
677.32935	2.9
677.42896	10.8
678.43298	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	677.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02856	0.2
59.01262	0.4
61.98718	1.2
69.03340	0.4
70.45758	0.3
71.01279	0.2
73.02851	0.1
78.95750	0.1
80.04950	0.3
81.03348	7.4
82.03686	0.1
82.06520	0.1
83.04916	19.0
84.05231	0.5
85.02839	0.1
89.02325	0.1
92.33516	0.1
93.03351	0.1
96.95908	0.1
97.02831	0.1
100.07583	0.3
101.02330	0.2
107.06079	0.3
108.04449	0.8
125.07127	1.2
126.05518	0.5
130.40674	0.1
142.99767	0.1
143.08194	0.4
157.13519	0.1
173.04475	0.2
183.14896	0.1
185.00908	0.2
191.05559	0.2
199.18106	0.1
207.15018	1.5
208.13448	0.2
224.17683	3.0
225.16089	13.7
226.16431	0.9
242.18719	0.8
250.15657	0.2
268.16690	0.2
290.22464	0.3
291.20819	0.2
308.23468	0.2
309.21829	0.9
316.03650	0.1
324.26627	0.7
333.23041	1.0
334.21402	0.1
339.27646	0.2
341.29285	1.2
350.24683	0.1
351.24167	0.3
367.27133	1.1
368.27106	0.1
385.28357	0.4
407.34042	0.3
433.31891	1.4
434.32510	0.1
450.34631	1.5
451.33011	6.8
452.33319	0.9
468.35593	0.2
476.32675	0.2
491.28864	0.2
550.43732	0.9
551.44031	0.2
559.39630	0.4
565.44727	0.4
577.41357	0.1
593.44031	0.7
659.48688	1.8
660.49091	0.4
677.49823	100.0
678.50134	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	677.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32453	0.1
55.01760	1.4
57.03328	0.8
58.00475	1.9
59.01265	39.1
59.64290	0.1
60.01599	0.5
67.01765	0.3
68.99712	0.4
69.03345	2.2
71.01268	35.6
72.01611	0.4
72.99197	2.7
73.02836	5.7
75.00768	0.9
81.03351	1.8
83.01280	4.1
83.04920	0.3
85.02845	7.5
85.99972	0.3
86.96591	0.1
87.00773	8.0
87.04408	0.2
89.02336	29.7
90.02672	0.4
91.03882	0.7
93.03346	0.4
95.01280	2.7
95.04932	0.2
97.02853	5.8
97.20370	0.1
98.20567	0.4
99.00771	2.1
99.04415	0.4
101.02345	27.5
102.02678	0.5
103.00253	0.3
103.03922	0.5
109.02850	0.9
111.00796	0.6
111.04433	1.0
112.01547	0.2
113.02357	13.9
114.02670	0.4
115.03929	0.7
119.03416	8.1
121.02870	0.4
123.00800	0.4
123.04420	0.2
124.01601	0.3
125.02366	11.5
126.02697	0.4
127.03909	0.6
127.73248	0.1
129.01831	0.2
130.48428	0.1
131.03438	1.8
133.01219	0.2
133.05020	0.9
135.04472	0.2
137.02362	0.4
139.03929	1.1
141.01851	0.7
143.03433	5.8
144.03793	0.2
149.04500	1.0
151.03909	0.2
157.05026	0.3
159.02959	0.2
161.04498	7.4
162.04865	0.3
167.03442	0.6
169.04994	0.5
171.02966	0.3
175.05928	0.2
179.05574	5.9
185.04512	0.5
188.91081	0.1
199.06110	0.6
203.05624	0.5
217.07242	1.0
219.05067	0.6
221.06635	2.2
235.08243	13.8
236.08643	0.7
242.87473	0.1
245.06656	1.1
253.09352	3.2
254.09836	0.2
259.08237	0.2
261.22302	0.5
263.07779	1.3
277.09375	0.9
279.23337	100.0
280.23682	10.1
281.86853	0.1
287.07785	3.1
288.08057	0.3
293.25128	0.3
305.08856	3.9
306.09253	0.3
313.39337	0.2
323.09869	1.8
361.11502	0.2
379.12503	1.1
397.13583	84.3
398.13928	7.7
398.19321	0.2
415.14661	32.3
416.14999	2.8
420.95505	0.1
459.45319	0.2
560.39612	0.2
677.37952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.1
59.01263	0.9
61.98717	100.0
62.98428	0.1
69.03341	0.1
71.01262	0.4
73.02849	0.1
83.01286	0.1
85.02874	0.3
87.00759	0.2
89.02328	0.2
93.03371	0.2
94.13657	0.1
96.95914	0.4
99.00781	0.3
101.02349	0.4
113.02361	0.2
115.84580	0.1
117.03386	1.3
117.39305	0.1
119.04998	0.3
135.04483	0.1
141.01830	0.1
145.02892	6.1
146.03220	0.3
161.04565	0.2
163.03979	0.3
173.04530	0.5
179.03577	0.1
191.05602	0.3
198.67015	0.1
362.50708	0.1
453.06781	0.1
461.13525	0.1
571.16742	0.3
613.17871	2.7
614.18756	0.4
675.29584	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.0
57.03344	1.2
58.00483	1.8
59.01266	38.6
60.01589	0.6
67.01781	0.3
68.99680	0.4
69.03336	2.1
71.01272	33.5
71.17519	0.4
71.17860	0.2
72.01616	0.6
72.99197	2.7
73.02837	5.1
73.03252	0.3
75.00779	1.0
81.03349	1.5
81.31235	0.2
83.01278	4.1
83.01782	0.3
83.04939	0.2
85.02843	7.2
85.99998	0.5
87.00774	8.4
87.04414	0.3
88.01135	0.2
89.02340	30.2
90.02693	0.2
91.03902	0.8
93.03374	0.3
95.01289	2.1
97.02855	5.5
98.03174	0.3
99.00785	2.3
99.04423	0.4
101.02348	27.9
101.60307	0.2
102.02706	0.6
103.00310	0.3
103.03917	0.4
109.02868	0.6
111.00798	0.6
111.04427	1.1
112.01584	0.3
113.02360	13.2
114.02724	0.5
115.03936	0.8
119.03423	9.5
119.04818	0.4
121.02873	0.5
123.00838	0.3
123.04414	0.4
124.01563	0.4
125.02370	12.1
126.02713	0.3
127.03950	0.5
129.01854	0.3
130.98062	0.2
131.03418	1.4
133.04974	1.2
137.02339	0.2
139.00331	0.2
139.03935	0.9
141.01857	0.6
143.03436	6.3
144.58136	0.2
145.05070	0.2
149.04477	1.3
155.03459	0.2
159.03004	0.2
161.04514	6.5
162.04858	0.2
163.03964	0.3
167.03441	0.8
169.04999	0.6
171.02971	0.2
179.05571	6.7
185.04457	0.4
188.40280	0.2
199.06123	0.6
203.05675	0.4
217.07162	1.0
219.05118	0.4
221.06641	2.5
235.08255	14.2
236.08572	0.7
245.06712	0.8
253.09348	3.3
259.97287	0.2
261.22183	0.5
263.07797	1.5
277.09366	1.1
279.23352	100.0
280.23712	10.7
287.07791	4.0
293.25162	0.3
305.08847	3.8
323.09897	1.9
324.10110	0.2
361.11377	0.7
379.12469	0.9
397.13596	88.1
398.13934	7.9
398.19281	0.2
415.14667	33.8
416.14990	2.7
677.37567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36339	0.2
51.12833	0.2
53.50906	0.2
58.13054	0.2
59.01268	1.4
61.98717	100.0
62.16973	0.2
62.77225	0.2
62.98410	0.3
63.48241	0.2
69.03355	0.6
69.41290	0.4
69.41690	1.5
71.01262	0.9
73.02818	0.3
73.12089	0.2
74.54986	0.2
81.54639	0.2
85.02844	0.5
89.02357	0.5
92.04944	0.2
92.34543	0.2
93.03351	0.4
96.95927	0.7
99.00787	0.3
101.02354	0.3
106.06551	0.3
113.02338	0.4
117.03378	1.0
119.04955	0.3
145.02892	5.3
146.03285	0.3
150.05560	0.4
161.02435	0.2
161.04485	0.3
165.01857	0.2
173.04523	0.9
175.02686	0.2
176.03522	0.8
179.03427	0.2
185.00946	0.4
191.05624	0.7
209.11789	0.2
338.08942	0.2
515.13367	0.6
613.17981	1.1
677.17487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.3
59.01263	7.1
61.98721	1.2
65.00198	0.7
65.63618	0.5
67.01777	1.2
68.99709	0.8
69.03330	2.4
71.01273	7.8
71.58559	0.7
72.99195	0.8
73.02843	1.7
78.95811	1.0
80.87984	0.6
83.01282	1.0
83.04950	0.6
85.02843	2.2
87.00766	1.7
89.02355	3.8
93.03349	6.0
95.01276	2.5
96.95900	1.2
96.99216	0.7
97.02849	1.4
98.88112	0.5
99.00764	1.3
99.04432	0.8
101.02355	4.7
107.01302	3.1
109.02845	1.8
109.16920	0.6
111.00816	1.7
113.02355	3.4
117.03351	0.9
119.03423	1.7
119.04996	0.6
121.02880	3.7
123.00813	7.0
124.01585	1.2
125.02335	2.1
125.99500	0.7
127.00297	2.0
131.03424	0.7
133.02898	1.5
135.04466	1.5
136.98781	1.1
137.02364	7.3
138.03128	1.6
139.00290	1.9
139.03938	6.6
141.01816	1.3
145.02879	3.0
152.07094	0.9
152.99513	0.7
153.01880	1.3
153.05545	3.4
154.02591	0.7
155.03403	1.7
161.04485	2.2
163.04042	0.6
165.01959	0.8
165.05431	0.8
166.99829	3.5
168.00659	3.1
169.01398	1.6
169.12343	0.8
171.10150	1.2
173.04556	3.1
175.03934	0.7
177.01823	0.7
178.02579	0.6
179.03404	0.6
179.05627	3.3
181.01439	5.0
182.02182	6.5
183.02969	20.3
185.00908	1.8
185.11797	0.7
191.05586	2.6
196.03687	1.5
197.04533	10.0
206.45139	0.6
209.11928	0.8
211.04141	0.8
211.06058	0.8
215.03479	3.9
217.06575	4.6
219.08170	24.7
219.10323	1.3
220.08493	1.9
221.06418	2.8
224.03355	0.8
225.04147	1.1
229.14456	1.8
239.05516	3.5
245.06120	9.2
246.06813	6.0
247.07668	24.3
248.07950	2.7
253.09596	0.6
261.05692	1.1
261.09119	0.8
263.07214	18.6
264.07660	1.0
265.36264	0.5
273.05545	0.9
277.08762	5.4
289.05136	43.9
290.05676	6.4
291.06696	31.0
292.07037	2.9
299.07813	2.2
304.07626	3.7
305.08292	3.4
311.07736	1.1
312.04987	1.6
326.06528	1.5
327.07285	14.9
333.07651	1.8
341.05005	1.2
341.08832	16.9
342.09186	1.5
353.23331	5.9
371.24213	0.8
377.23404	1.5
453.12073	1.4
589.17114	3.2
605.16815	5.9
606.17664	1.0
633.16266	100.0
634.16650	17.8
668.97583	0.7
677.32959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81811	0.1
59.01252	0.4
59.33044	0.1
61.98717	100.0
62.58178	0.1
62.98419	0.2
67.19212	0.1
69.03333	0.2
69.56609	0.5
71.01277	0.2
73.02857	0.1
75.00803	0.1
77.42728	0.1
85.02862	0.2
89.02322	0.2
93.03362	0.1
96.95930	0.3
99.00770	0.1
101.02382	0.1
109.02839	0.1
113.02329	0.2
117.03380	1.0
119.04945	0.2
125.02386	0.1
145.02888	3.5
146.03265	0.2
151.04063	0.1
163.03975	0.3
164.28024	0.1
173.04536	0.3
184.11662	0.1
185.00883	0.1
191.05574	0.1
307.08292	0.1
514.29181	0.1
571.16998	0.2
599.77991	0.1
613.17853	1.5
614.18634	0.2
672.60925	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	676.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57948	0.1
59.01252	0.8
60.83931	0.1
61.98716	100.0
69.03335	0.2
71.01274	0.4
71.58508	0.2
75.00775	0.1
78.95824	0.2
83.01305	0.2
85.02843	0.2
87.00773	0.2
89.02347	0.2
96.95930	0.5
101.02360	0.3
109.02850	0.2
111.00826	0.2
113.02364	0.3
117.03369	1.4
119.04884	0.2
125.02332	0.2
135.04440	0.2
137.02409	0.2
145.02888	5.0
146.03276	0.2
151.00278	0.2
152.06995	0.2
161.04495	0.2
163.03989	0.4
173.04593	0.8
177.01900	0.3
179.03427	0.2
185.00864	0.1
191.05615	0.3
195.05145	0.3
202.02829	0.1
214.08826	0.1
230.29112	0.1
341.11249	0.2
343.89200	0.1
349.09167	0.2
353.85391	0.2
520.98907	0.1
553.15497	0.2
613.17920	1.5
629.86188	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	675.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.6
55.33134	0.1
57.03128	0.1
57.03337	1.5
58.00479	3.0
59.01264	57.5
60.01606	0.5
67.01769	0.2
68.99698	0.7
69.03347	2.6
71.01268	46.2
72.01614	0.6
72.99197	3.3
73.02835	8.1
75.00746	1.2
79.71233	0.1
81.03343	1.9
83.01276	5.8
83.04937	0.7
84.02047	0.2
85.02842	10.0
85.99997	0.5
86.03162	0.1
87.00771	11.5
87.04406	0.5
88.01105	0.2
89.02337	37.8
90.02688	0.5
91.03896	0.8
93.03352	0.5
95.01284	3.5
95.04947	0.3
97.02852	7.6
98.03181	0.3
99.00771	2.8
99.04396	0.7
101.02345	36.7
102.02692	0.4
103.00290	0.3
103.03930	0.4
104.70085	0.1
109.02852	0.9
109.06551	0.1
111.00789	0.7
111.04424	1.2
112.01587	0.3
113.02356	17.8
113.07157	0.1
114.02656	0.4
115.03892	1.0
119.03418	10.4
120.03785	0.2
121.02879	0.8
123.00793	0.5
123.04428	0.3
124.01566	0.4
125.02365	14.8
126.02734	0.5
127.03918	0.5
127.07567	0.4
129.01834	0.3
131.03421	2.2
133.04996	1.3
135.04407	0.2
137.02373	0.4
139.03937	1.2
141.01862	0.8
142.02626	0.2
143.03429	7.0
144.03804	0.2
149.02364	0.4
149.04486	1.0
151.03912	0.2
155.03389	0.2
157.04991	0.4
159.02888	0.2
161.04498	7.9
162.04903	0.2
163.04018	0.2
167.03487	0.8
169.04977	0.5
171.03012	0.3
178.14426	0.1
179.05573	7.5
181.05020	0.2
182.13364	0.1
185.04547	0.8
197.04671	0.1
199.06178	0.7
203.05574	0.5
217.07172	1.3
219.05081	0.4
221.06650	2.6
223.60678	0.1
227.05582	0.3
233.06752	0.2
233.22740	0.6
235.08250	15.8
235.95168	0.1
236.08536	0.7
245.06688	1.1
253.06714	0.2
253.09332	4.2
259.08371	0.3
259.20728	0.5
263.07797	1.7
275.20193	0.4
277.09680	1.1
277.21774	100.0
278.22116	9.1
287.07773	3.9
288.08130	0.3
291.23358	0.3
305.08847	4.7
306.09171	0.2
319.22946	0.3
323.09885	2.0
361.11484	0.6
379.12592	1.2
397.13577	87.5
398.13937	6.2
415.14642	35.5
416.15009	2.8
500.45853	0.2
547.85840	0.2
675.36163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23196	0.2
59.01266	100.0
60.01598	0.7
65.84147	0.2
69.69178	0.4
69.69587	0.7
78.95807	0.5
94.46484	0.2
97.37304	0.2
98.20564	0.2
105.95064	0.2
152.99542	0.3
163.12683	0.2
255.23480	0.5
276.64737	0.2
277.21829	0.4
326.77704	0.2
336.19800	0.2
544.98682	0.2
676.40320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23865	0.1
55.01775	1.5
57.03341	1.4
58.00478	2.1
59.01265	45.6
60.01594	0.5
67.01789	0.2
68.99709	0.5
69.03342	2.5
70.92616	0.3
71.01269	40.0
72.01605	0.7
72.99191	2.9
73.02834	6.5
75.00769	0.8
81.03345	1.9
82.10443	0.1
83.01273	4.0
83.04913	0.5
85.02839	8.1
85.99996	0.4
87.00771	9.3
87.04413	0.4
89.02337	33.5
90.02688	0.4
91.03912	0.6
93.03346	0.4
95.01279	3.0
95.04939	0.2
97.02852	7.1
99.00778	2.4
99.04424	0.5
101.02345	33.3
102.02695	0.5
103.00317	0.4
103.03906	0.4
107.04939	0.2
108.02061	0.1
109.02851	0.7
111.00764	0.7
111.04420	1.5
112.01539	0.3
113.02355	16.2
114.02669	0.3
115.03931	0.7
117.01806	0.1
119.03415	10.4
120.03813	0.1
121.02863	0.5
123.00783	0.2
123.04409	0.4
124.01583	0.3
125.02366	14.1
126.02695	0.3
127.03939	0.5
127.07552	0.3
129.01833	0.3
131.03421	1.9
133.04996	1.0
137.02348	0.2
139.03897	1.2
141.01865	0.7
141.05478	0.2
142.02600	0.2
143.03430	6.4
144.03772	0.2
149.02417	0.2
149.04451	1.0
151.03938	0.2
152.99554	0.2
155.03397	0.3
157.04982	0.4
161.04501	7.9
162.04936	0.2
167.03409	0.9
169.05016	0.6
171.02939	0.4
173.04483	0.2
179.05566	6.5
180.05869	0.2
181.04977	0.2
182.13142	0.1
185.04524	0.9
199.06058	0.5
203.05557	0.6
209.04492	0.2
217.07117	1.1
219.05025	0.5
221.06648	2.7
222.06999	0.1
233.06766	0.2
233.22772	0.5
235.08247	16.0
236.08562	0.8
245.06688	1.1
253.09319	4.3
254.09676	0.3
259.08231	0.2
259.20706	0.4
260.21063	0.2
263.07721	1.7
269.06641	0.2
275.20081	0.4
277.09634	1.2
277.21768	100.0
278.22116	8.4
287.07788	3.7
288.08179	0.2
291.23355	0.4
305.08856	4.3
306.09244	0.4
323.09872	2.2
361.11502	0.8
379.12482	1.2
397.13571	98.0
398.13898	7.8
415.14648	38.6
416.14960	3.1
593.27429	0.2
675.36060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01263	13.9
61.98718	9.2
66.27937	1.0
67.49147	0.7
68.08908	0.8
68.54849	0.9
69.03326	3.3
71.01274	4.4
72.99184	0.8
73.02822	1.4
78.95784	2.4
80.04948	7.1
85.02837	2.9
89.02322	2.3
93.03345	2.3
94.02861	3.3
94.06496	2.5
95.01255	1.2
96.95918	4.0
97.02827	1.1
99.00750	1.4
99.04420	1.3
101.02342	3.2
104.04952	2.8
106.06516	3.0
107.03661	3.3
108.04477	4.0
110.77534	0.9
113.02328	3.1
117.03369	1.6
119.03378	1.1
120.08123	1.7
121.05270	1.4
122.02404	0.9
122.06039	29.2
122.48970	0.8
123.06384	1.1
124.03983	4.5
125.02365	2.0
130.06561	0.8
132.04468	2.7
134.03604	1.0
134.05157	0.7
134.06012	5.2
135.04436	1.0
136.03972	5.6
137.04724	1.9
138.05566	4.7
139.00334	0.7
139.02666	0.9
145.02939	4.9
146.03305	0.9
146.06064	0.9
147.05563	3.6
148.03966	2.5
150.05576	13.6
152.07109	42.2
153.07396	1.8
158.09605	0.8
160.03903	1.5
161.02321	1.2
161.04552	2.5
162.05415	0.8
163.34668	1.0
164.07082	1.5
173.04535	6.1
174.05513	3.0
175.05104	2.0
176.03424	0.9
185.00874	3.5
186.05592	1.4
186.12851	1.0
190.05069	3.6
191.05533	3.4
201.10294	13.3
209.04567	0.9
209.11742	1.2
210.12132	1.2
211.08731	2.0
211.12538	0.9
212.10887	1.0
213.10349	7.7
215.11713	0.9
217.09804	1.3
224.09480	1.0
225.10301	1.6
227.08264	1.2
227.11819	4.9
229.07745	1.4
229.09860	20.5
229.13400	7.9
237.10292	1.9
239.11896	7.0
241.09799	2.7
242.10570	1.1
243.11313	1.3
245.04590	1.0
245.13016	10.7
247.10838	2.8
249.10155	1.0
251.12015	1.3
253.09413	0.9
255.11491	7.1
257.12936	5.3
265.09872	2.0
267.11365	1.5
273.12497	5.7
281.12817	1.9
285.12482	1.3
289.11954	5.5
294.09995	1.5
295.10995	4.2
301.12042	18.0
302.12598	1.7
302.48154	0.9
305.09329	1.0
309.09247	1.0
309.12531	2.5
313.12222	5.5
316.10980	0.9
316.14893	0.9
319.13055	76.5
320.13452	7.9
323.10510	7.0
325.12036	3.0
327.13583	3.3
330.12396	1.4
339.09976	2.0
339.13647	1.2
341.11295	1.0
344.14191	1.3
355.13226	5.8
359.12625	2.0
360.13513	1.9
372.13495	1.9
372.17535	1.1
373.14291	1.7
374.15076	10.0
375.15326	1.6
386.15399	1.5
391.15533	4.0
392.16223	10.9
393.17081	1.4
398.15503	1.3
400.12717	1.3
403.14920	2.3
404.15973	1.2
416.16293	5.1
418.13760	1.4
434.17282	5.7
435.17526	1.4
446.17096	1.3
474.05313	1.2
508.42145	1.0
520.17419	1.7
522.72058	0.9
531.26068	1.1
539.23291	1.9
552.20099	2.9
557.24194	13.8
558.24481	3.6
575.25043	1.4
581.24097	5.7
582.24506	1.4
583.21820	1.9
597.81104	0.9
599.25256	68.3
600.25519	16.1
601.22906	1.6
602.23822	3.4
625.22974	2.9
643.24225	100.0
644.24634	19.7
675.26910	37.7
675.38776	1.4
676.27124	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	675.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18671	1.0
59.01262	7.5
61.98700	3.4
66.24384	1.1
69.03344	2.7
70.73875	2.6
70.74252	2.1
71.01283	6.1
73.02825	1.3
83.04929	1.7
85.02825	2.8
87.00789	1.3
89.02338	3.2
93.03346	4.7
96.95900	4.0
97.02823	1.5
101.02354	2.7
105.93149	1.2
107.03687	1.2
113.02324	1.7
115.98106	1.5
117.03394	1.1
119.04902	1.5
122.06008	3.8
123.82972	1.1
125.02338	1.3
130.17950	1.0
131.80444	1.0
132.02104	15.8
133.02823	2.3
134.03656	22.5
135.04410	2.5
135.19649	1.0
148.05263	1.2
149.06020	3.8
152.07092	4.8
160.01613	67.9
161.02077	3.3
161.04521	1.1
169.12308	1.7
171.10175	3.1
173.04472	4.6
173.36708	1.3
175.03967	80.1
176.04427	3.6
178.02676	1.1
179.03436	1.4
180.39119	1.1
185.00919	1.5
185.11783	1.8
191.05557	1.9
191.07074	2.1
193.05014	18.0
199.13484	1.7
201.11214	1.8
209.11813	10.8
210.12180	3.9
219.08171	4.7
227.12888	3.4
228.13364	1.4
230.07330	4.5
231.08194	5.6
232.05113	1.3
235.06062	2.8
247.07669	24.0
248.08041	3.0
249.09245	50.8
250.09566	3.1
258.06992	6.7
261.05661	3.2
273.05618	3.4
275.07202	84.5
276.07550	8.5
295.08353	2.6
337.09366	100.0
338.09726	9.4
375.27634	2.0
451.11996	2.5
555.76923	1.1
585.17438	1.9
587.19489	7.5
588.19922	1.6
603.55621	1.5
613.17267	39.1
614.17480	7.2
642.26453	2.8
643.25952	2.5
654.54590	1.3
656.40454	1.5
657.16357	8.2
658.16284	1.5
674.42145	1.6
675.31964	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	675.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.7
59.01259	2.3
60.99194	1.0
67.01784	3.0
69.02899	0.5
71.01260	3.2
71.57925	0.5
73.02829	0.6
78.96371	0.4
81.03355	0.6
83.83532	0.4
85.02840	2.0
87.00752	0.8
88.32212	0.4
93.03358	20.8
93.62856	0.4
94.03688	0.6
96.95895	1.0
109.02848	0.8
111.00793	0.8
111.04438	3.3
119.04940	17.0
127.03944	0.9
137.02359	3.1
155.03429	3.9
163.03947	14.5
164.04356	0.8
173.04507	100.0
174.04832	4.6
176.22266	0.5
191.05585	19.2
326.22879	0.5
327.08743	3.0
337.09354	30.4
338.09741	2.5
462.11276	0.5
485.15091	0.5
501.13931	0.8
675.19965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21905	0.1
55.01761	0.1
57.03325	0.2
59.01261	2.1
60.01606	0.1
64.23132	0.1
69.03339	0.1
69.34494	0.2
69.34896	0.9
71.01267	1.9
71.04886	0.1
72.99190	0.2
73.02827	0.4
75.00810	0.1
80.02567	1.0
80.27491	0.1
81.03345	1.2
83.01285	0.3
83.04913	4.4
84.02065	0.8
84.05270	0.1
85.02843	0.5
87.00764	0.4
89.02338	1.3
93.03352	0.2
95.01283	0.2
95.04932	0.7
95.68442	0.1
97.02831	0.1
97.06509	0.2
99.00801	0.1
101.02334	1.6
109.06539	0.2
113.02341	0.8
119.03398	0.3
123.08090	0.2
123.35747	0.1
125.05980	0.5
125.09632	0.3
127.11121	0.1
135.08105	0.7
140.18770	0.1
143.03456	0.1
145.04982	0.2
147.11705	0.2
149.09665	0.1
161.04544	0.8
163.11227	3.5
163.27734	0.1
164.11533	0.3
165.12790	2.2
171.10208	1.7
172.10623	0.1
173.04523	0.3
177.09146	0.1
179.05524	0.2
181.12347	0.6
182.36884	0.1
185.11792	0.1
191.10768	0.9
199.13249	0.1
207.10281	0.1
209.11809	100.0
210.12144	6.5
219.81631	0.1
221.11887	0.5
223.13351	0.2
227.12881	13.2
228.13184	0.8
235.08231	1.6
247.13432	0.8
249.15033	0.2
253.09315	5.6
254.09349	0.1
265.14523	0.4
353.11618	0.1
367.42874	0.1
373.23926	0.1
385.14188	0.2
401.23560	0.2
407.19107	0.1
419.24533	0.2
437.25323	0.1
445.20908	1.0
446.21280	0.1
463.21875	0.2
483.22629	0.2
611.30981	0.2
629.31934	0.1
637.32410	0.8
638.32910	0.2
655.32831	0.3
673.34772	0.3
686.47565	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.8
61.39059	0.6
61.98708	1.5
64.01617	0.8
68.70809	0.7
69.39962	0.7
69.92967	4.2
71.01266	2.4
71.65968	0.6
80.04950	7.9
83.04933	1.1
85.02833	1.0
89.02316	1.4
93.03365	1.1
94.06512	2.8
99.60574	0.7
101.02338	1.4
104.04970	3.0
106.06529	2.4
107.03658	7.2
108.04491	1.3
120.04486	2.3
122.06039	51.9
123.06391	1.3
130.06537	1.6
132.04462	1.3
134.05145	1.1
134.06067	12.3
136.07616	2.2
137.02451	0.8
139.02693	1.4
146.06050	1.7
148.03998	1.3
150.05565	1.5
152.07117	62.5
153.07423	2.7
158.05981	0.8
160.01669	0.9
160.03995	2.9
160.06352	2.9
160.07535	0.8
161.04677	0.9
164.03552	0.8
165.12880	0.7
173.04568	3.7
174.05627	4.3
176.03419	0.8
179.83397	0.7
180.06665	1.7
182.04170	0.8
186.05603	1.4
188.07133	5.6
190.05006	1.5
191.05606	1.4
199.13327	0.9
209.11845	15.8
210.12155	1.4
211.08775	2.4
213.10312	11.6
214.10609	1.0
223.08759	1.4
225.10205	3.9
226.11163	2.0
227.13101	7.1
235.08653	2.0
237.10323	2.2
238.07314	0.9
239.08282	1.5
239.11917	12.8
240.12286	1.1
241.13472	7.7
245.13002	7.7
249.10480	0.9
250.07475	2.7
251.08218	2.4
251.11923	3.2
252.09029	1.5
253.09784	6.6
263.08292	2.2
265.09912	7.5
266.10516	2.1
267.11368	3.9
277.09766	3.0
278.07040	6.2
278.10626	3.5
279.07785	7.2
279.11377	3.2
280.11929	1.0
285.12503	27.0
286.12695	2.1
291.07199	1.3
292.08661	1.2
293.09351	19.1
293.13004	8.1
294.10086	6.9
295.10907	16.4
296.11334	1.4
297.12579	1.0
306.10098	2.9
306.81430	0.8
307.10989	7.0
308.11404	0.9
309.12338	1.2
311.10312	0.8
313.12064	4.8
321.08624	1.0
323.10425	7.1
324.10880	1.0
325.12082	2.3
328.10992	1.4
330.16382	0.9
332.17545	1.0
337.08383	12.5
338.09045	2.8
339.09949	3.1
343.13477	1.0
344.14014	2.0
351.09995	1.3
355.13031	3.6
356.17810	1.3
357.15051	2.0
358.15601	9.5
359.16022	1.0
370.11801	1.2
372.17230	1.4
382.15594	0.9
384.13565	2.5
385.14374	1.7
386.15021	0.9
390.18155	1.0
397.14197	1.1
398.15176	1.1
399.15833	1.1
400.16708	12.2
401.16895	2.1
412.16708	5.3
414.18436	0.9
417.16742	2.3
430.13953	2.2
431.18765	1.5
432.19324	2.9
442.17963	1.3
444.15662	2.0
458.17401	2.5
459.17978	4.7
460.18951	9.8
462.17026	1.1
463.17520	1.0
469.16699	0.9
474.20502	6.4
475.21069	1.1
476.18262	2.4
486.16724	2.4
487.17517	1.3
497.25778	0.9
503.17227	4.0
504.17816	17.9
504.25024	1.1
505.18112	2.6
518.19440	21.6
519.19739	3.1
523.23560	3.8
536.20599	2.4
550.22058	31.0
551.22455	4.7
565.24664	61.4
566.24976	12.4
568.23029	1.1
581.24402	0.9
597.27228	10.1
598.27350	1.8
609.23645	37.5
610.23914	7.7
641.26288	100.0
642.16833	1.6
642.26666	22.6
673.28857	23.8
673.40790	1.6
674.29248	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	672.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63609	0.4
54.60796	0.4
59.01255	0.8
61.98695	0.6
62.04221	0.5
63.02278	0.6
65.00214	1.0
75.05594	0.4
83.01273	0.8
93.03351	0.6
96.95903	0.5
107.01296	1.4
108.02077	1.0
109.02849	1.6
111.29976	0.4
121.02835	1.1
127.88441	0.5
129.42760	0.5
134.04744	0.5
135.00851	0.7
135.99295	0.4
138.82460	0.5
148.01541	0.9
151.00317	8.0
163.00311	1.8
164.01140	0.9
173.04538	1.0
178.99821	5.7
187.03868	0.8
199.03864	0.6
201.01907	0.5
211.04208	0.5
216.04192	0.5
226.02618	1.1
227.03534	1.8
229.05135	0.9
243.03030	6.0
244.03735	0.7
245.04503	0.8
250.94250	0.5
254.02213	1.4
255.03023	16.5
256.03351	1.3
271.02524	34.6
272.03067	3.2
273.03995	1.3
283.02744	0.7
299.02142	0.9
300.02817	66.8
301.03519	28.0
302.03909	2.0
303.01477	0.7
337.03113	0.5
343.04388	0.7
347.00443	0.5
382.60345	0.5
414.18228	0.5
459.32367	0.6
470.17505	0.5
609.14722	100.0
610.15125	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	673.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73760	0.3
57.03319	0.4
59.01265	2.7
61.98714	1.4
67.70753	0.4
69.03344	0.7
71.01273	2.6
74.46986	0.3
78.95789	0.5
80.02558	0.6
81.03344	0.5
83.01279	0.8
83.04919	2.3
84.02048	0.8
85.02847	0.7
87.00748	0.6
88.64848	0.4
89.02326	1.0
93.03365	4.9
93.03955	0.7
96.95898	0.7
101.02366	1.7
102.38629	0.3
106.06583	0.5
107.05051	0.4
109.02885	0.5
113.02355	1.5
117.03355	0.7
119.03436	0.4
119.04900	0.6
125.02268	0.4
125.09641	0.4
131.13655	0.4
132.02101	8.2
132.39450	0.4
133.02892	5.2
134.03665	9.3
135.04474	4.9
137.02415	1.3
143.03468	0.4
149.02429	0.4
149.06042	2.0
152.01094	0.6
160.01605	35.0
161.02402	19.2
161.04401	0.5
162.02731	1.0
163.11220	2.2
165.12802	1.2
171.10236	1.5
172.10637	0.4
173.04507	2.0
175.03961	34.7
176.04419	1.8
177.05490	0.7
179.03470	4.3
180.03841	0.6
181.12289	0.5
187.03935	0.4
190.05133	0.5
191.05464	0.8
191.07039	0.9
191.10872	0.5
193.05045	5.7
199.13425	0.7
202.02751	0.5
203.03377	0.5
207.10254	0.5
209.11819	58.8
210.12102	1.9
214.24934	0.4
215.03448	1.1
217.06621	4.2
218.07182	1.2
219.08150	19.8
220.08481	1.8
221.04289	0.6
221.06192	0.7
225.11377	0.4
227.12898	11.1
232.05421	0.9
235.06099	1.1
235.08212	1.0
245.06094	7.7
246.06853	9.0
247.07663	21.3
247.13425	0.7
248.08049	2.1
253.09329	4.2
261.05908	0.6
261.08957	0.5
263.07211	9.0
264.07477	0.8
273.05539	0.5
277.08716	1.7
289.01779	1.0
289.05115	43.1
290.05594	7.0
291.06686	69.9
292.07056	7.4
295.08289	1.1
304.07584	2.2
305.08096	1.1
313.11890	0.6
323.07748	4.1
324.08072	0.5
333.07648	1.7
337.09399	4.3
355.13193	0.6
423.12360	0.7
445.21042	0.8
453.12039	4.0
454.12323	0.7
475.17697	0.4
585.17584	3.9
586.18207	0.9
601.17358	4.4
602.17365	0.6
629.16766	100.0
630.17114	22.9
630.27643	0.9
637.32361	0.8
655.33148	0.8
673.32379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01598	1.0
61.98717	1.1
71.01288	1.2
71.59968	0.6
73.61172	0.4
78.07286	0.4
78.95801	0.7
83.04948	0.4
89.02393	0.5
95.04926	0.7
96.77523	0.4
96.95932	0.6
97.02886	0.7
101.02342	0.4
109.06461	0.5
113.02459	0.5
141.01631	70.0
142.01979	1.1
152.99544	0.4
153.72096	0.4
171.10240	1.0
173.04395	0.6
179.35634	0.4
207.10345	1.2
209.11888	4.1
223.13425	0.7
225.11427	1.5
227.12993	0.5
246.63275	0.5
253.09387	3.9
253.11977	0.6
255.23311	0.6
275.06146	6.0
278.11465	1.3
293.21320	5.5
315.19455	1.4
335.09628	1.1
346.48865	0.4
375.21671	1.3
501.52811	0.5
529.30261	0.7
551.27643	1.3
671.33020	1.4
672.34613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4033
Annotation	Guineamide D
Peak:m/z	Relative Intensity
56.73761	0.6
57.03325	0.7
57.74496	0.5
58.49269	0.5
59.01259	5.8
61.98711	3.4
69.03350	1.2
71.01269	4.6
71.57584	1.1
73.02847	0.9
73.47307	0.5
74.06396	0.6
78.95806	1.8
80.02580	0.7
81.03338	0.7
83.01270	0.8
83.04923	1.9
85.02834	1.3
87.00786	0.9
89.02358	1.6
91.20250	0.6
93.03362	2.7
95.04903	0.6
96.95946	0.7
96.96829	0.6
97.02863	1.6
97.06513	0.7
99.00758	0.7
101.02338	3.1
109.06522	3.2
113.02322	1.2
121.02844	0.9
121.06526	0.8
123.04507	0.8
125.02381	1.0
125.06025	0.8
125.09680	1.5
127.11170	0.8
133.02928	1.2
135.08047	2.8
139.71754	0.5
149.06003	3.9
150.06805	48.6
151.07259	1.2
160.01633	0.8
161.02409	1.8
161.09706	0.9
162.06847	1.3
163.04091	0.6
163.07593	9.7
163.11249	3.5
164.08368	9.1
165.12802	0.7
171.10266	2.2
173.04533	5.2
176.08466	0.9
177.09131	1.6
178.09962	2.0
179.03535	0.6
179.10732	21.9
180.11186	0.7
181.12340	0.7
185.11789	0.6
191.05573	1.4
191.10754	0.8
201.11343	1.4
207.10263	11.4
208.10577	0.7
209.11816	24.6
210.12195	2.3
225.11324	13.7
226.11716	0.8
227.12903	4.4
235.08298	1.0
241.09897	0.8
253.09300	3.0
297.24350	1.4
299.22314	8.5
300.22769	0.9
311.22418	2.3
329.23315	0.7
399.21927	1.3
421.11011	0.9
432.32782	1.7
443.19461	0.8
446.98050	0.6
447.35016	2.0
461.20294	3.0
461.32864	2.8
464.31271	1.4
473.32886	1.0
478.33139	1.2
479.33905	10.7
480.34189	1.1
490.33356	1.3
491.34006	7.4
492.34344	1.1
493.35373	0.7
503.34253	0.7
508.34235	3.0
509.34790	9.1
611.38293	0.8
635.31030	2.4
636.94934	0.6
653.31091	3.8
654.32080	1.0
671.40521	100.0
672.40900	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	667.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78504	0.3
58.82297	0.3
59.01265	100.0
59.60841	0.3
60.01608	0.6
61.98728	0.8
77.47980	0.3
77.60725	0.3
83.04957	0.3
85.36700	0.3
121.02839	0.3
143.48885	0.3
151.00348	0.5
171.10278	0.4
173.04575	0.3
179.03517	0.3
219.68269	0.3
223.13423	0.6
229.51390	0.3
241.85124	0.3
289.36935	0.3
427.41693	0.4
466.53027	0.4
532.47797	0.3
666.79962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84688	0.1
51.02963	0.1
57.03358	0.1
58.00462	0.1
58.28920	0.1
59.01261	1.4
59.59618	0.1
70.74220	0.4
71.01266	1.5
73.02840	0.3
85.02858	0.3
87.00744	0.2
89.02341	0.9
95.01277	0.1
97.06480	0.2
99.08049	0.2
101.02336	1.2
101.25619	0.1
113.02353	0.5
119.03430	0.3
125.09622	0.8
127.11205	1.7
151.23053	0.1
153.09186	0.6
156.60435	0.1
161.04492	0.5
171.10220	100.0
172.10555	4.3
179.05588	0.3
190.43968	0.1
196.86890	0.1
235.08191	1.1
236.09264	0.1
253.09319	4.9
277.21771	46.1
278.22122	4.4
324.97552	0.1
407.19327	1.3
513.30585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.2
60.10144	0.1
61.26538	0.1
61.98714	0.2
64.17336	0.1
69.03342	0.3
69.39527	0.8
71.01265	1.1
73.02842	0.8
77.03856	0.2
77.77020	0.1
81.03352	0.1
83.01293	0.4
85.02850	0.3
87.00773	0.7
89.02328	0.4
89.03883	0.2
90.87556	0.1
93.03329	0.2
95.01344	0.1
95.04917	0.2
96.95905	0.2
97.02827	0.2
98.20621	0.2
101.02333	0.9
104.02593	0.1
105.03356	0.7
111.00839	0.1
113.02364	0.7
115.01814	0.3
115.02941	0.1
117.03380	0.8
119.03441	0.2
121.02929	0.1
123.04411	0.3
125.02362	0.4
125.13908	0.1
131.03404	0.1
132.02090	2.3
133.02876	35.3
134.03163	1.5
135.04443	4.5
136.04810	0.1
137.02348	0.2
141.01979	0.1
143.03447	0.4
145.02870	0.1
147.04468	0.1
155.03398	0.1
159.04482	0.2
160.01631	0.2
161.02382	100.0
162.02722	4.8
162.30840	0.1
163.03996	0.1
173.04503	0.2
175.03934	0.1
179.03458	2.6
180.03798	0.1
187.03799	0.1
189.05553	0.2
191.65398	0.1
206.16716	0.1
206.32759	0.1
207.10306	0.1
225.11333	0.1
233.04553	0.2
269.67780	0.1
271.48624	0.1
323.09961	0.2
341.10968	0.3
365.08591	1.0
383.12042	0.5
425.13110	0.6
467.14114	0.3
474.81216	0.1
569.14801	0.2
587.15912	0.2
611.16248	0.4
629.17346	4.7
630.17822	0.7
671.18390	21.6
672.18695	4.0
672.30280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.4
61.50837	1.5
61.98719	32.0
69.88609	2.4
69.89018	7.0
73.14750	1.7
93.03345	8.3
98.19884	2.6
109.43559	1.8
129.95430	1.6
156.14226	1.6
230.07390	2.7
241.06534	2.3
257.06152	23.4
258.06888	100.0
259.07599	27.0
260.07986	3.4
269.05975	2.1
285.05591	7.0
286.06409	39.6
287.07175	52.8
288.07422	4.7
303.45084	2.1
317.08292	13.1
318.08423	2.5
332.87805	2.0
402.92920	1.9
499.13300	3.8
500.14325	2.9
501.14874	3.0
517.14343	6.2
525.11499	2.3
527.13037	14.0
528.13477	5.0
529.14581	5.0
545.14410	8.4
546.14166	3.6
554.12073	8.3
555.12390	17.2
556.13208	4.3
573.13605	79.3
574.13934	13.5
578.92029	2.3
587.15143	97.2
588.15338	18.5
605.16254	56.6
606.16608	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	665.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69212	1.1
55.01762	2.3
57.03340	66.8
58.00497	1.5
59.01267	39.0
60.77201	1.1
61.98713	5.9
69.03347	2.2
71.01270	20.9
71.52039	1.6
71.52397	1.4
72.99238	1.7
73.02827	8.7
75.00777	2.2
78.95846	1.7
79.17477	1.1
83.01269	7.2
83.04911	1.4
85.02852	15.1
87.00768	2.6
89.02345	3.5
93.03358	3.2
95.01277	2.2
96.95899	1.9
97.02829	2.5
99.00787	4.6
99.03811	2.1
99.04424	29.5
101.02350	37.7
105.24126	1.2
111.00790	5.1
113.02344	12.0
121.10153	5.5
123.08165	1.1
125.02349	14.6
125.09630	2.4
129.01883	1.6
134.03696	1.4
135.04483	1.6
141.12798	2.3
143.03442	2.1
145.02917	1.5
159.02954	1.7
161.04504	3.6
171.13852	4.2
173.04504	3.8
175.03973	2.2
177.01833	1.3
189.00259	1.1
191.05551	2.0
201.14958	18.7
270.74826	1.2
322.28629	1.3
345.19229	1.7
359.28091	4.6
363.20374	4.5
482.08585	1.2
503.32370	65.0
504.32712	9.4
521.33441	100.0
522.33832	14.5
563.34503	8.9
603.38007	1.4
645.75946	1.2
665.37738	50.6
666.38605	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	661.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.01257	1.4
60.99191	0.7
61.98713	0.5
64.33112	0.2
67.01777	6.7
68.35404	0.2
69.03352	1.5
71.01272	4.1
71.59725	0.2
81.03340	1.2
83.01299	0.3
83.04923	0.9
85.02844	1.8
85.08741	0.2
87.00765	0.7
93.03355	35.9
94.03697	0.8
95.04899	0.3
99.04430	0.3
105.03381	1.3
107.04938	0.2
108.02063	0.3
109.02856	1.6
111.00801	1.4
111.04429	6.0
113.02383	0.4
116.32855	0.2
116.92762	0.2
119.04944	0.3
121.02868	0.7
124.01609	0.6
125.02390	0.3
125.09614	0.3
127.03940	0.7
133.01855	0.3
133.02881	8.3
134.03674	4.8
135.04448	31.3
135.13548	0.2
135.40260	0.2
136.04762	1.2
137.02370	7.6
139.03957	1.0
142.11935	0.2
149.02377	0.3
150.03162	0.7
151.03928	0.8
155.03444	5.3
161.02353	1.0
163.03897	0.3
171.10252	0.4
173.04504	100.0
174.03331	0.3
174.04822	3.2
175.04181	0.2
177.01883	3.8
178.02675	4.9
179.03455	14.0
180.03870	0.5
191.05576	9.5
192.06013	0.2
243.13963	0.3
268.09821	0.2
271.56519	0.2
273.14786	0.2
287.13004	0.8
291.19644	0.4
307.08319	0.9
307.19308	0.5
308.09061	1.7
309.20816	4.2
310.21194	0.3
351.07318	3.7
352.08051	5.9
353.08765	2.4
400.15353	0.2
412.61716	0.2
425.23492	0.9
443.24448	13.4
444.24899	1.8
451.21628	0.5
469.22336	2.8
470.22693	0.7
487.17889	0.2
487.23486	11.4
488.23740	1.5
661.28796	14.9
662.29211	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	663.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.3
57.03329	1.6
59.01265	5.4
61.98708	2.4
67.01789	1.0
68.22140	0.5
68.99696	0.6
69.03342	100.0
69.44802	0.5
70.03671	2.7
71.01268	6.4
71.59594	0.9
72.99194	2.3
73.02807	0.6
75.00745	0.7
77.23906	0.5
78.95794	1.2
79.01797	1.6
81.03367	0.5
81.55284	0.5
83.01284	1.0
85.02842	3.1
87.00777	0.8
89.02335	1.9
93.03362	1.1
95.01292	3.4
96.95922	1.1
97.02859	19.5
99.00779	29.8
99.04442	0.6
99.46295	0.5
101.02336	3.6
111.00787	0.9
113.02366	2.3
123.00775	1.4
123.04419	0.7
125.02361	1.0
134.03683	1.4
135.02917	0.8
141.01855	6.6
160.01595	3.7
167.03447	1.0
171.10245	2.2
173.04539	3.1
175.03935	3.7
179.05505	0.6
185.00877	89.6
186.01256	3.1
191.05595	1.1
193.04996	2.7
201.11308	5.9
209.11807	0.8
221.15524	1.9
225.11432	0.8
230.09592	0.6
233.29626	0.6
243.82266	0.6
247.07704	1.0
253.09352	0.8
275.07153	2.8
297.24609	0.8
311.07901	2.6
315.25516	3.5
357.26556	0.6
459.29639	0.9
477.30792	47.7
478.31201	6.4
501.31201	1.7
519.32208	0.8
563.25085	1.4
587.16119	1.2
631.23810	0.8
657.27930	0.7
663.32605	22.4
664.32971	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55455	0.4
56.78160	0.4
57.03335	1.2
59.01263	1.9
60.99199	0.8
61.98730	1.1
67.01771	5.6
69.03336	1.7
71.01260	3.7
72.99191	0.4
73.02823	1.0
81.03355	1.7
82.27139	0.4
83.04933	2.2
85.02836	2.7
87.00770	1.0
93.03355	34.7
94.03699	1.1
95.04933	1.4
98.10176	0.5
98.19682	0.9
99.00813	0.4
99.04360	0.5
99.92460	0.7
105.03355	4.3
107.04933	0.6
108.02041	0.6
109.02851	2.8
111.00788	1.6
111.04428	8.2
113.02358	0.9
116.92764	6.0
117.01871	0.6
121.02859	1.1
122.03654	0.5
123.04442	2.0
124.01585	0.9
125.02354	0.5
125.09633	1.0
127.03942	1.3
130.33482	0.5
131.04883	0.5
133.02878	28.6
134.03677	13.8
135.04443	83.8
136.04776	2.5
137.02371	14.8
138.02695	0.7
139.03966	2.5
150.03152	1.7
151.03978	1.8
153.05476	1.3
155.03441	7.4
159.04398	0.8
161.02367	3.1
163.03902	0.5
171.10179	1.0
173.04507	100.0
174.03468	0.6
174.04811	2.9
175.03912	0.8
177.01904	10.6
178.02669	13.3
179.03452	28.3
180.03821	1.5
191.05582	18.0
192.05907	0.7
197.11836	0.5
199.09785	0.9
200.10556	1.1
229.33145	0.7
243.13857	1.0
247.20909	0.7
269.12082	0.7
271.13354	0.6
273.15118	0.9
287.12921	1.3
291.19772	2.0
307.08154	1.0
307.19232	2.3
308.09045	1.8
309.20752	14.7
310.20993	0.7
348.20685	0.4
351.07272	7.5
352.07974	6.8
353.09018	3.1
359.15051	0.5
399.14313	0.7
425.23596	2.5
443.24438	35.5
444.24915	5.0
469.22354	5.1
487.23505	17.8
488.23871	2.3
567.26257	0.6
629.31525	0.8
650.74347	0.5
661.28809	29.4
662.29205	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	661.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.5
57.17546	0.5
59.01268	3.8
60.99191	0.8
61.98723	1.8
63.69096	0.5
67.01785	2.5
69.03348	2.4
69.43919	0.8
69.44329	3.4
71.01273	4.5
71.04866	0.4
73.02837	1.1
76.12409	0.4
78.95797	0.8
79.94733	0.4
81.03338	1.1
83.04921	1.6
85.02840	5.1
87.00772	1.1
89.02351	0.5
93.03363	19.9
94.03713	0.8
96.95914	4.0
99.00770	0.7
99.04414	0.8
101.02357	1.4
109.02853	1.5
111.00790	1.4
111.04413	4.2
113.02344	1.1
116.92772	0.6
125.02410	0.9
125.09636	1.3
127.03909	1.1
127.11171	1.0
128.38858	0.5
130.04163	2.4
133.02887	1.1
134.03667	4.9
135.04443	5.8
137.02388	4.8
141.09148	0.5
146.03633	1.9
150.03189	0.6
155.03445	4.7
155.04607	0.7
155.10689	0.8
158.03676	3.5
159.04472	10.3
160.01613	1.3
160.05180	1.6
161.02397	7.7
161.04492	0.6
161.06000	0.6
162.02890	0.7
162.05530	1.1
169.12267	0.7
171.04465	0.7
171.10257	4.9
172.05302	2.7
173.04550	36.9
173.06021	6.9
174.03171	1.6
174.04912	1.4
174.06824	6.8
175.03940	1.8
175.07562	0.8
179.03491	1.3
179.10712	0.7
183.04550	0.6
185.00922	1.1
185.06041	1.6
185.11749	0.8
186.06786	0.9
187.03990	2.1
188.04706	0.9
189.01971	0.8
191.05586	32.2
192.05930	0.8
193.04987	1.0
197.06201	2.2
197.11815	6.4
198.06790	0.8
198.12061	0.7
199.03954	0.8
199.07608	0.8
199.09671	0.6
201.11325	3.0
202.02711	3.0
202.06334	2.6
202.92160	0.5
203.03412	1.2
204.04245	0.8
209.06033	1.2
209.11803	4.0
211.07631	2.1
212.04776	2.5
213.05501	0.9
213.09334	0.7
213.11298	3.7
214.09967	0.7
215.12874	27.5
216.13280	1.6
225.05617	0.6
227.10791	63.2
228.11176	4.7
229.12431	2.3
235.07895	0.7
241.12546	1.2
243.13945	3.2
253.05162	0.6
253.09189	1.1
255.13794	0.7
269.11761	0.6
271.09845	25.2
271.13336	3.1
272.10104	2.0
282.12738	0.6
289.05377	0.6
323.13104	0.6
331.08490	0.6
338.15268	0.5
355.15482	0.8
356.16147	0.6
359.15091	4.1
360.15625	0.7
373.16678	1.1
374.17633	2.3
376.08072	0.6
381.13324	0.9
382.14172	0.8
399.14539	1.7
400.15295	3.1
407.22385	2.9
421.82794	0.6
425.23459	4.1
426.23380	0.6
427.21353	2.8
433.20477	0.7
443.24481	100.0
444.24820	14.5
445.15155	3.6
446.15488	0.5
451.21194	2.8
452.21783	0.9
469.22412	15.9
470.22708	2.3
487.23462	13.3
488.23611	2.4
517.29669	0.8
521.73932	0.5
629.22760	0.7
643.32458	0.6
661.28693	13.1
661.39478	0.8
662.28656	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.8
59.01263	10.0
61.98708	3.4
67.01784	6.2
69.03362	6.5
71.01262	8.6
71.04934	1.4
71.56262	1.9
72.99195	1.4
73.02824	1.8
78.95799	1.8
79.25917	1.1
79.95635	3.1
81.03355	2.1
83.01283	1.4
83.04916	5.6
85.02836	12.0
87.00770	3.5
89.02323	2.5
93.03356	32.2
93.03931	2.3
96.95923	12.1
97.02891	2.3
99.00780	2.0
99.04451	1.4
101.02344	3.2
105.03375	2.3
106.98020	1.2
109.02860	3.8
111.00790	2.4
111.04453	7.6
113.02364	3.0
114.53616	1.0
116.92757	1.5
123.04408	1.2
125.09615	2.0
127.03969	8.4
127.16547	1.2
130.04172	1.4
133.02893	11.1
134.03690	6.8
135.04460	20.1
137.02405	5.9
139.07573	2.0
141.01799	1.7
146.03668	1.9
150.03130	1.9
155.03500	5.8
158.03653	3.8
159.04500	8.4
160.01588	1.7
160.05217	1.3
161.02428	5.8
161.04512	1.9
161.06046	2.8
171.10258	9.5
172.05255	3.2
173.04527	74.2
173.05984	6.0
174.03265	2.1
174.04869	3.3
174.06787	5.4
175.03935	3.4
176.04793	4.6
177.01872	4.8
179.03423	5.6
179.05583	2.8
184.66972	1.2
185.00897	2.9
185.06084	5.7
185.11855	1.9
187.03978	2.3
187.07610	1.9
188.04797	2.6
189.05576	4.9
191.05585	84.5
192.05945	3.1
197.06076	1.8
197.11824	8.1
199.07690	1.1
199.09599	1.2
201.11304	2.9
209.05936	1.4
209.11755	6.2
211.07684	2.2
212.04735	2.8
213.05539	5.6
213.09308	1.7
213.11331	2.7
215.12860	19.9
227.03502	2.3
227.10774	45.6
228.11145	3.3
229.12267	1.2
239.72597	1.4
243.13957	2.8
253.12392	1.2
271.09805	16.8
271.13406	4.4
273.93427	1.4
282.12628	1.6
289.97012	1.3
301.14569	5.4
313.14380	1.5
349.18054	1.4
351.07080	2.0
359.15112	2.8
373.16583	1.1
374.17136	1.4
385.20227	1.8
389.21140	1.8
399.14514	4.1
400.15335	4.1
407.22229	6.3
425.23483	12.7
426.23856	1.8
427.21518	2.2
443.24463	100.0
444.24857	14.3
469.22388	24.6
470.22760	2.8
487.23422	28.2
488.23862	2.4
617.39331	2.7
629.26147	1.2
660.34259	3.6
661.27484	25.7
662.29517	4.4
668.45703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38117	0.4
57.03343	0.9
57.54749	0.4
58.00495	0.4
59.01258	2.4
60.15329	0.3
60.99192	0.4
61.98711	0.9
67.01778	6.1
69.03350	1.3
71.01270	4.3
71.18639	0.4
71.58762	0.8
72.99174	0.4
74.27756	0.3
78.95804	0.4
81.03359	1.4
83.04928	1.7
83.05795	0.4
85.02842	3.2
87.00784	1.5
89.03877	0.5
93.03358	35.3
94.03705	1.1
95.04932	0.9
99.04443	0.5
105.03365	3.4
108.02090	0.6
109.02839	1.9
111.00778	1.4
111.04424	6.8
113.02351	1.1
121.02866	1.1
123.04439	1.2
123.08051	0.4
124.01477	0.5
125.09634	0.7
125.44338	0.4
126.39596	0.4
127.03934	1.0
129.01869	0.6
132.02086	0.6
133.02882	27.5
134.03677	12.7
135.04451	67.8
136.04771	2.5
137.02377	12.1
137.09636	0.5
137.86494	0.5
139.03973	1.9
149.02374	0.5
150.03203	1.4
151.03992	1.5
151.11252	0.5
155.03439	6.7
155.04677	0.6
160.01631	1.0
161.02400	4.8
169.12305	0.8
171.10229	0.7
173.04512	100.0
174.03358	0.6
174.04802	3.6
177.01881	7.5
178.02675	12.3
179.03459	24.9
180.03824	1.4
191.05594	30.2
192.05956	1.3
197.11784	0.6
198.29388	0.4
199.09741	0.9
200.10530	0.7
201.11263	0.5
213.11362	0.5
229.29784	0.4
243.13994	0.5
269.12192	0.5
287.12787	0.4
291.19736	2.1
307.08304	1.0
307.19073	2.0
308.09079	1.8
309.20792	15.9
310.21103	1.2
346.70551	0.4
351.07318	7.5
352.08047	5.4
353.08899	3.3
359.15121	0.8
382.14127	0.6
386.35004	0.4
400.15067	0.7
407.22504	0.7
425.23471	2.6
443.24475	36.3
444.24918	4.3
451.21106	0.7
469.22391	7.5
470.22876	1.1
487.16595	0.8
487.23416	12.7
488.23611	1.4
629.31860	0.6
661.28766	29.8
662.29126	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	661.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.1
57.46190	0.2
57.74670	0.3
58.00500	0.3
59.01264	1.5
60.99185	0.9
61.98715	1.5
67.01775	5.5
68.02105	0.3
69.03332	1.1
69.90970	1.0
71.01266	3.4
73.05350	0.3
81.03344	1.3
82.95299	0.3
83.01302	0.2
83.04916	0.9
85.02864	1.1
85.55830	0.2
85.94906	0.2
87.00783	1.0
87.75739	0.2
90.43178	0.2
93.03355	33.5
94.03696	1.0
95.04895	0.5
98.19891	0.4
99.04427	0.2
105.03375	1.2
106.04189	0.4
107.04911	0.4
108.02103	0.4
109.02848	1.5
111.00805	1.2
111.03728	0.4
111.04430	5.1
113.02368	0.3
115.03883	0.3
119.05034	0.2
121.02885	0.6
123.04463	0.4
124.01606	0.6
125.02406	0.3
126.03201	0.2
127.03951	0.8
129.01865	0.3
133.02875	10.4
134.03676	5.8
135.04443	34.7
136.04720	1.1
137.02376	7.0
139.03923	0.9
149.02391	0.3
149.06142	0.3
150.03151	0.9
151.03961	1.0
155.03436	5.5
155.68240	0.2
156.03719	0.2
161.02364	1.2
163.03856	0.3
171.10162	0.4
173.04506	100.0
173.71315	0.2
174.04854	2.9
175.03986	0.2
177.01874	4.3
177.03299	0.3
178.02667	6.3
178.58221	0.2
179.03448	15.2
180.03870	0.7
185.00955	0.2
185.06088	0.2
191.05580	10.7
227.10744	0.2
271.13718	0.3
287.12988	0.6
290.51260	0.2
291.19754	0.6
307.08304	0.7
307.19055	0.6
308.08942	1.6
309.20767	4.4
310.21185	0.4
351.07318	3.7
352.08011	6.9
353.08777	3.2
359.15027	0.4
425.23486	1.0
443.24451	14.4
444.24741	1.7
451.21371	0.5
469.22403	3.2
470.22708	0.5
487.23468	13.2
488.23877	2.1
511.24902	0.3
661.28778	19.4
662.29114	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	659.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93650	0.3
54.97537	0.3
59.01266	100.0
60.01612	0.9
61.98731	0.4
71.38167	0.6
78.95806	1.2
107.23457	0.3
117.72435	0.4
141.88062	0.3
143.39206	0.3
147.80470	0.3
152.99545	0.4
220.17540	0.3
279.23523	0.7
370.83316	0.3
397.97107	0.3
398.19922	0.4
541.37360	0.6
563.39349	0.4
659.35638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22618	0.5
59.01264	15.7
60.01606	0.5
70.75050	0.6
70.75409	1.6
78.95795	16.2
96.96866	0.9
97.02853	5.6
97.11172	0.5
99.00777	1.6
109.06492	1.4
110.03643	1.7
122.00043	1.2
125.09665	0.5
134.53055	0.4
135.08080	1.2
136.05194	1.2
140.01117	8.0
140.23378	0.5
142.02650	2.8
147.70760	0.5
152.99516	0.8
163.11220	7.4
179.10789	0.7
181.12305	18.5
182.12660	1.3
196.03758	5.8
196.35727	0.6
197.11821	1.0
207.10249	42.9
208.10596	3.2
225.11320	100.0
226.11658	5.9
255.23328	59.6
256.23743	4.5
268.15509	0.6
404.14819	2.5
434.26627	0.8
452.28055	6.1
660.38916	46.8
661.28650	1.0
661.39258	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	661.2267
Annotation	CHEBI:66414
Peak:m/z	Relative Intensity
57.03326	1.1
59.01266	8.9
61.98713	7.3
70.34081	4.7
71.00974	0.9
71.01281	11.7
72.99163	1.3
73.02830	3.4
75.00761	3.3
78.95798	1.5
83.01266	2.1
85.02833	5.6
87.00761	3.9
88.98693	4.4
89.02340	4.4
93.03346	3.6
96.95912	5.0
97.02841	1.2
98.85773	1.0
99.00780	3.4
101.02344	7.6
102.82376	0.9
106.06490	1.0
111.00806	1.4
113.02357	4.1
117.03361	2.5
119.03391	1.7
121.02864	2.9
126.97513	1.0
131.03436	1.2
132.02107	10.3
133.02838	3.5
134.03664	32.7
135.04417	3.4
137.02402	2.7
145.07637	2.3
147.04422	1.3
148.05222	1.0
149.02348	1.9
149.06000	5.3
160.01611	58.7
160.03741	1.7
160.06363	5.4
161.02386	7.4
161.04477	1.8
161.07156	51.7
162.07507	2.8
165.01959	2.0
173.04523	6.9
175.03972	73.7
175.08717	17.5
176.04640	6.1
177.01758	1.3
178.02650	3.1
179.03409	2.4
187.08757	1.9
189.06668	49.4
190.07076	1.1
191.05589	1.9
191.07103	6.4
192.04372	1.7
193.01399	3.2
193.05032	26.3
195.05002	5.7
203.08261	12.4
204.08578	1.3
207.06540	1.5
235.06126	11.6
236.06259	1.3
249.09200	1.9
265.07254	3.1
267.07159	1.4
275.07098	2.1
295.08356	4.0
305.11487	3.5
355.10278	2.2
392.02155	1.0
397.11554	10.0
467.16629	10.6
468.16855	1.2
471.15076	5.6
485.17850	28.0
486.18478	2.3
499.56293	1.2
661.22638	100.0
662.22992	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	659.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01264	100.0
60.01604	0.9
61.98730	0.3
65.66444	0.2
69.53488	0.2
70.74404	0.4
73.50235	0.2
78.95790	1.0
95.61752	0.2
96.13932	0.2
107.88094	0.2
152.99556	0.3
171.10255	0.5
279.23401	0.6
378.22028	0.2
541.36725	0.2
563.39215	0.3
659.36249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.9
59.01271	6.1
61.98706	2.6
68.34824	0.6
69.03350	4.3
71.01270	3.4
71.54298	1.1
72.83190	0.6
72.99188	0.8
73.34285	0.8
78.95817	1.1
78.97105	0.6
80.04961	6.3
81.03347	0.8
83.01283	1.0
85.02845	1.6
87.00766	0.8
89.02347	1.4
93.03354	1.2
94.06508	2.1
96.95929	4.8
97.02863	1.2
99.00774	1.4
101.02346	1.5
104.04985	2.6
106.06540	3.0
107.03659	5.4
108.04464	2.7
109.02872	0.7
113.02399	1.7
119.03430	1.3
120.04444	1.1
122.06033	34.4
123.06380	1.0
123.63276	0.7
123.66891	0.7
124.07619	0.9
125.02333	1.3
132.04491	1.9
134.06049	8.9
136.07619	3.8
139.02711	0.8
143.03535	0.9
146.06064	3.0
148.03960	2.4
150.05482	0.9
152.07114	52.8
153.07458	2.2
160.03972	1.6
161.04524	0.7
162.05547	1.3
173.04515	5.0
174.05550	2.8
179.05489	1.0
180.06618	7.8
185.00873	3.4
186.05565	1.1
188.07153	17.7
189.07455	1.0
191.05566	2.1
209.11929	1.0
210.08044	0.9
211.08771	3.1
213.10297	1.4
217.36115	0.7
223.12534	0.7
224.09462	1.2
225.10342	6.5
226.11024	1.9
227.11893	3.6
235.08830	0.9
237.10367	1.7
238.07495	2.3
239.08092	1.3
239.11955	3.3
241.13673	1.0
245.12961	5.2
249.06865	0.8
249.10352	2.1
251.08362	3.0
251.11960	2.6
252.09103	2.2
253.09836	10.2
254.10387	1.0
263.08182	1.1
264.09073	2.4
265.09796	4.5
266.10364	1.0
267.11398	7.1
277.09943	2.8
278.10513	1.2
279.07855	4.2
279.11432	2.8
280.08453	1.4
281.09271	1.4
281.12811	1.3
285.12582	3.7
291.11554	0.8
292.08606	1.0
293.09518	3.3
294.10245	3.3
295.10931	37.2
296.11307	3.5
307.10950	14.8
308.11411	1.6
309.12415	1.6
313.11993	1.6
321.08655	1.4
323.10361	3.4
335.22345	1.2
339.09912	1.8
340.10788	1.1
348.39835	0.7
351.10077	1.2
353.49390	0.7
355.13025	1.0
358.15546	1.3
379.73740	0.8
390.18222	1.3
392.19821	1.1
400.16763	1.3
401.16571	0.8
404.16064	0.9
418.17807	2.4
432.19473	2.7
436.18976	0.9
442.17630	0.9
458.17804	1.2
460.18884	36.8
461.19165	5.8
463.17471	0.9
470.43512	0.7
473.27524	1.3
476.18869	4.0
490.16431	0.8
504.17902	100.0
505.18277	13.8
508.21231	2.1
536.20520	65.2
537.20850	11.9
565.24554	5.2
582.89868	0.8
609.23737	6.3
627.24738	8.7
628.24933	2.0
641.26251	2.9
658.71082	0.8
659.27527	4.9
660.27948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.7
59.01257	6.8
61.98716	8.2
66.17626	0.7
69.03341	3.8
71.01270	5.7
71.54464	0.7
72.99190	0.8
73.02834	1.3
75.86514	0.7
78.95808	1.0
80.12296	0.7
83.01274	1.1
85.02845	1.9
87.00758	0.8
89.02351	3.0
93.03371	6.6
95.01283	1.5
96.95914	6.2
96.96857	0.7
97.02837	1.3
99.00781	2.1
101.02364	3.2
105.03334	0.8
107.04917	0.7
109.02857	1.6
113.02357	2.6
117.03365	8.1
118.03693	3.6
119.04900	1.6
119.61036	0.7
123.04472	1.3
125.02318	0.7
132.02068	2.2
133.02881	36.7
134.03593	2.3
135.03418	1.5
135.04451	28.3
136.04709	1.1
137.02408	1.3
139.52876	0.7
145.02888	19.8
146.03230	15.3
147.03438	5.7
148.03693	0.8
149.06010	1.9
151.11232	0.7
159.04486	0.9
161.02388	100.0
162.02733	3.4
163.03969	1.4
164.04234	1.0
165.04431	0.8
173.04536	3.3
175.03874	1.5
177.05551	4.2
178.02568	0.9
179.01855	1.1
179.03455	18.1
179.05289	1.1
179.05617	1.1
180.03819	0.7
185.00876	2.6
191.05576	2.2
203.03513	1.6
209.11758	0.8
215.03491	1.8
217.06636	0.9
219.08151	12.7
220.08440	0.9
221.04512	2.7
221.06413	1.3
233.04628	0.7
245.06084	2.1
246.06900	6.6
247.07678	27.8
247.10289	1.4
248.08017	2.8
251.05496	0.9
263.07379	4.2
275.42841	0.6
280.05771	1.2
283.10617	0.6
289.05127	8.1
290.05676	1.4
291.06693	32.4
292.07141	3.3
323.07733	15.8
324.08310	1.5
335.22415	1.6
353.23343	0.7
377.23260	1.0
453.11978	3.3
473.27667	1.1
497.27692	1.7
571.16199	90.6
572.16608	15.8
615.15216	23.5
616.15594	5.0
659.20081	2.0
659.34448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07623	0.3
54.65798	0.4
59.01260	0.4
61.98712	1.4
69.94413	1.1
69.94830	0.9
71.01262	0.7
75.00758	0.6
75.24652	0.4
80.04933	0.9
92.04932	0.4
94.06518	3.0
101.02343	0.4
104.16178	0.4
106.06533	0.9
107.03674	9.9
120.04460	1.7
120.60765	0.4
121.05260	0.9
122.06036	52.5
122.93874	0.4
123.06380	1.4
124.07590	0.9
132.04527	0.7
134.06058	6.5
136.07608	0.8
139.02678	4.5
148.03958	0.8
150.05562	1.8
152.07114	84.5
153.07462	3.2
160.04012	1.0
161.04704	0.6
162.05609	0.5
166.04993	0.5
168.35555	0.3
168.74760	0.3
173.04584	0.5
173.35490	0.3
190.05011	1.0
198.04375	0.5
199.05078	0.4
200.09499	0.5
209.07278	0.5
209.11856	1.7
210.07976	2.0
210.12248	0.4
211.08775	4.9
211.13301	1.0
213.10321	2.3
215.11882	1.9
223.08757	3.5
224.09529	2.4
225.10237	2.4
226.10901	0.5
227.11937	0.8
235.08875	0.8
236.05894	1.3
237.06718	9.1
237.10408	1.0
238.07324	1.4
239.11934	1.2
249.06711	1.2
249.10417	0.4
250.07469	4.4
251.08261	6.0
251.10927	0.5
251.11992	0.6
252.09001	1.0
253.09837	1.6
261.10303	0.4
263.08231	2.0
263.11880	0.6
264.09006	2.1
265.09875	4.7
266.10202	0.6
267.11423	0.5
269.09326	0.8
276.08426	0.4
276.95718	0.3
277.09921	0.9
279.11356	1.3
281.09277	0.4
283.10989	4.2
284.11368	0.9
285.12485	1.5
291.08060	0.5
291.11069	0.4
295.10938	1.1
297.12485	2.3
298.12744	0.4
299.14206	1.3
301.15753	0.9
305.09460	1.0
306.09689	0.5
306.16193	1.1
307.10986	4.2
308.11581	0.4
311.95200	0.4
315.10434	0.5
316.11047	0.4
318.16214	0.8
323.10544	0.4
325.12067	0.5
328.11002	1.2
329.11588	0.9
330.12717	2.4
330.16061	0.8
331.13519	0.9
332.14154	1.4
337.11996	0.6
339.13528	3.3
340.14334	0.5
342.12518	1.1
342.16190	0.5
343.09537	0.8
343.13416	0.5
344.14059	4.5
345.14523	1.9
346.15778	4.1
347.16138	0.7
355.13040	1.4
356.10205	0.8
356.14084	0.5
357.11282	0.9
358.11978	7.0
358.15836	3.1
359.12231	0.8
359.16397	1.0
360.17221	0.9
370.11981	1.3
370.16074	0.6
371.12564	1.4
371.16681	2.7
372.13474	6.7
372.17538	0.6
373.14410	4.9
374.14978	2.4
384.13300	0.4
385.14182	2.3
386.15106	4.7
387.15714	0.7
388.16977	0.4
390.14679	0.8
399.15961	0.8
400.16702	1.0
402.14685	3.5
403.14990	0.6
404.16348	2.4
405.16763	1.4
406.17798	0.8
417.17078	1.1
418.17609	1.0
428.16373	0.8
430.17838	0.9
431.18680	0.5
434.17166	0.8
440.16223	0.4
448.19028	3.4
449.19714	0.8
460.18774	2.6
462.20020	0.5
465.19324	0.6
472.18903	1.3
491.20782	2.3
492.21500	7.2
493.22305	0.4
495.20618	1.2
502.19931	0.5
503.20602	0.4
504.21555	5.5
505.21851	1.2
510.22858	0.9
511.23672	1.0
523.19745	2.7
524.20081	0.6
534.22491	3.9
535.23352	5.9
536.24127	12.5
537.24628	1.8
538.22272	1.7
539.23022	0.5
549.25494	0.6
551.22675	0.5
552.23877	0.5
570.24982	12.6
571.25610	6.3
572.25842	0.5
593.24377	0.8
597.27716	0.4
625.26794	10.7
626.27100	2.2
629.30157	2.0
657.29443	100.0
658.29779	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	657.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01524	0.3
59.01261	5.1
61.98716	1.0
62.12583	0.3
66.06059	0.4
67.01770	0.7
69.03337	0.7
70.02303	1.8
71.01258	1.6
78.95779	0.7
85.06429	0.3
89.02288	0.5
91.44093	0.3
93.03330	1.3
94.50175	0.4
95.04915	1.1
96.95924	2.0
96.96817	0.3
97.02853	0.6
98.19826	0.4
99.00774	0.5
101.02305	0.5
102.62752	0.3
107.03692	0.7
109.46631	0.3
113.02342	0.5
117.03383	0.4
120.04498	2.1
121.05247	1.9
122.06033	6.9
124.01648	0.4
125.02354	0.5
132.02036	0.5
133.02878	0.4
134.03627	0.9
134.06033	2.0
135.04449	0.7
135.06792	0.9
136.07608	10.0
137.02390	0.7
145.02890	1.6
148.07646	0.5
149.06070	0.5
150.06804	2.0
152.07115	3.4
158.02417	0.6
159.72987	0.3
160.01619	2.3
161.04567	0.5
161.07185	1.0
163.07574	0.4
164.01091	0.8
164.08408	0.4
171.11777	1.7
173.04489	1.6
175.03934	2.7
179.10701	0.8
186.09230	0.5
189.77077	0.5
190.05112	2.8
191.05527	0.8
193.05009	0.7
198.09221	1.5
199.10001	1.4
209.11789	1.4
211.13377	1.2
214.07468	0.4
214.12350	11.2
215.12737	0.4
225.06703	0.5
226.07425	0.8
227.08249	2.2
228.09029	0.9
229.09869	4.9
230.09975	0.4
230.11914	3.5
241.09846	8.2
242.10623	14.4
243.11011	1.2
247.07693	0.8
250.76358	0.4
256.12225	0.9
257.12991	78.3
258.07172	0.5
258.13336	5.5
273.07846	2.2
275.07254	3.1
276.07840	0.5
293.09338	0.7
294.10092	0.4
300.11191	0.8
301.11996	100.0
302.12305	7.0
337.09216	3.0
355.13016	5.8
356.13583	0.5
375.27542	1.2
495.37921	0.6
553.21362	0.5
581.24384	0.7
585.23932	0.5
625.22913	0.7
657.26270	1.7
657.38727	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	656.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.3
60.73754	0.6
61.98721	22.0
69.45969	3.7
69.46379	2.0
71.01272	2.5
78.95747	0.6
79.93607	0.6
83.01264	1.0
85.02836	0.9
87.90888	0.7
93.03349	2.4
96.95898	1.1
98.20531	1.3
101.02354	0.9
107.01295	1.2
108.02089	1.7
109.02847	1.7
117.03323	0.8
117.42627	0.7
118.27067	0.7
120.63303	0.6
125.02366	0.7
137.02345	1.3
139.00267	0.6
145.02858	1.6
149.13110	0.6
151.00293	2.6
152.01057	0.8
153.01868	2.0
155.03372	0.7
161.04463	0.7
163.00285	1.7
167.79652	0.9
173.04526	3.9
173.05836	0.6
177.01907	0.8
185.06047	1.3
187.03999	1.7
191.05602	3.0
197.06007	0.8
209.11711	1.0
211.03928	1.8
213.05589	1.7
227.03506	21.5
228.03850	1.3
229.05107	8.7
255.03024	40.0
256.03595	5.6
257.04630	4.1
258.04730	0.8
284.03326	53.3
285.04077	62.9
286.04431	6.1
358.71811	0.7
492.08691	0.8
545.84290	0.8
593.15240	100.0
594.15631	17.9
644.03174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13264	0.4
59.01265	100.0
60.01592	1.4
61.98734	0.5
71.01268	0.9
71.58840	0.6
74.99297	0.5
78.95814	0.9
96.95927	0.5
96.99208	0.5
97.02860	1.1
99.00816	0.4
101.00858	0.7
102.98804	0.5
113.00845	0.7
117.00372	0.7
117.03387	0.4
127.24453	0.5
141.01631	69.2
142.01959	1.8
145.02879	1.1
156.60396	0.4
173.03076	0.9
180.23909	0.4
201.02432	0.7
210.60802	0.5
257.05252	0.8
261.46133	0.4
275.06250	4.0
276.06476	0.5
277.21854	2.8
309.20471	0.4
317.07239	1.2
335.08856	0.6
335.54373	0.4
339.00479	0.7
359.22098	1.8
391.19547	2.1
449.99380	0.4
535.27649	4.7
536.27643	1.2
595.29785	1.8
596.30414	0.5
609.05664	0.4
619.42004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	4.5
59.01265	94.9
61.98711	1.4
71.01271	87.0
72.01585	1.1
72.99204	5.6
73.02829	1.2
83.01282	1.9
85.02841	10.4
87.00765	4.4
89.02338	100.0
90.02668	1.5
95.01295	4.3
96.95978	1.1
101.02348	31.8
113.02361	27.6
119.03419	32.3
131.03413	5.8
143.03429	9.8
145.02898	1.6
149.04495	4.2
161.04512	11.2
179.05571	41.5
180.05853	1.5
193.61865	1.0
194.42479	1.0
207.10193	2.1
209.11679	1.3
211.13393	1.6
225.11380	1.3
225.22290	6.4
271.22827	12.3
272.23102	1.1
317.08295	2.6
325.23862	2.8
362.96808	1.0
415.27048	7.2
433.28299	7.3
517.84686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1894
Annotation	Prunose II
Peak:m/z	Relative Intensity
59.01264	5.4
62.27718	0.2
64.12930	0.2
64.36005	0.1
70.51754	0.7
71.01275	0.9
73.02824	0.7
83.01283	0.5
85.02848	0.5
87.00773	0.5
89.03899	0.3
93.03362	0.2
101.02372	0.8
113.02335	0.6
116.02562	0.3
117.03375	34.5
118.03711	1.2
119.03522	0.2
119.04942	4.8
120.05236	0.2
124.01634	0.2
124.97016	0.2
125.02354	0.2
141.01912	0.2
143.03470	0.2
143.04938	0.2
145.02888	100.0
146.03233	3.9
152.03821	0.2
161.04607	0.2
163.03961	6.1
164.04253	0.3
173.06139	0.2
187.04063	0.2
205.05206	0.2
214.55562	0.2
217.04979	0.5
222.05817	0.2
234.81673	0.2
323.09827	0.2
341.10895	0.2
349.09286	1.6
350.09851	0.2
383.11816	0.2
400.01389	0.2
425.13000	0.7
480.66516	0.2
522.57990	0.2
553.16022	0.6
571.16779	0.6
595.16943	1.0
613.17883	2.8
614.18616	0.4
655.18921	8.8
656.19647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15862	0.1
52.20012	0.1
57.76800	0.1
59.01265	5.4
66.58260	0.1
70.51554	0.3
71.01270	0.7
71.32217	0.1
73.02840	0.5
83.01282	0.5
85.02850	0.4
87.00771	0.4
89.02350	0.3
89.03872	0.3
93.03358	0.2
95.01283	0.1
97.02857	0.1
98.65802	0.1
99.00765	0.1
99.53863	0.1
100.74863	0.1
101.02333	0.8
104.87802	0.1
113.02361	0.8
117.03375	33.1
118.03703	1.5
119.04939	4.4
120.05255	0.2
121.02864	0.2
123.78937	0.1
125.02368	0.5
129.01891	0.1
143.03488	0.2
145.02887	100.0
146.03229	5.0
146.04140	0.1
161.04552	0.2
163.03963	4.6
164.04297	0.1
173.06096	0.1
179.05461	0.1
203.74986	0.1
217.05054	0.2
243.02925	0.1
277.06937	0.1
289.07230	0.2
307.08237	1.3
323.09854	0.2
341.10861	0.6
349.09323	0.5
383.12027	0.5
425.13205	0.3
467.13712	0.2
553.15826	0.5
571.16559	0.7
595.16681	1.2
596.17377	0.2
613.17859	2.5
614.18005	0.5
655.18964	9.5
656.19196	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	655.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33525	0.1
59.01266	4.3
71.01280	0.8
71.36037	0.3
73.02839	0.5
83.01255	0.5
85.02868	0.4
87.00784	0.7
87.01213	0.1
89.02325	0.4
89.03857	0.2
93.03374	0.1
99.00809	0.2
101.02345	0.7
101.48161	0.1
111.06258	0.1
111.87522	0.1
113.02352	0.7
117.03376	32.6
118.03700	1.1
119.04943	3.3
120.05275	0.2
125.02351	0.4
133.58850	0.1
140.20799	0.1
143.03432	0.2
143.05000	0.2
145.02887	100.0
146.03224	3.9
161.04529	0.3
161.05943	0.1
163.03952	6.1
164.04263	0.2
187.04005	0.2
203.39734	0.1
217.04930	0.2
259.06232	0.2
307.08273	0.3
323.09839	0.2
341.10910	0.3
349.09299	0.6
383.12079	0.7
392.35193	0.1
394.77527	0.1
425.13022	0.4
491.51746	0.1
553.15717	0.6
571.16504	0.9
595.16803	2.0
596.17102	0.4
613.17767	3.6
614.18604	0.7
655.18939	13.3
656.19409	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	655.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39925	0.1
59.01263	5.4
60.49732	0.1
63.46454	0.1
64.20132	0.1
69.03339	0.2
71.01265	1.0
73.02828	0.2
76.79622	0.1
77.46371	0.1
83.01271	0.6
85.02837	0.6
87.00769	0.4
89.01900	0.1
89.02328	0.8
98.20576	0.3
101.02360	0.5
108.74107	0.1
113.02352	0.6
117.03374	34.0
118.03707	1.3
119.03458	0.3
119.04941	3.3
125.02326	0.2
143.03441	0.4
143.04913	0.1
145.02887	100.0
146.03227	4.7
161.04501	0.2
163.03954	6.3
164.04262	0.3
179.05621	0.2
187.03891	0.2
217.05017	0.3
323.09854	0.2
331.08603	0.2
341.11057	0.4
349.09247	0.5
383.11938	0.4
391.10455	0.2
409.11539	0.2
416.81802	0.1
425.13159	0.8
553.15558	0.4
566.55200	0.1
571.16687	1.0
595.16949	2.0
596.17145	0.2
613.17841	3.2
614.18378	0.6
655.18921	11.1
656.19360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.6
71.01272	1.2
71.35855	0.3
73.02840	0.8
79.35570	0.2
80.44252	0.2
83.01272	0.5
85.02847	0.2
87.00784	0.7
89.02341	0.3
93.03349	0.4
97.02858	0.3
101.02369	0.8
113.02354	0.5
117.03378	30.4
118.03707	1.4
119.03450	0.2
119.04944	4.2
137.02341	0.3
143.03410	0.2
145.02892	100.0
146.03220	4.4
154.55798	0.2
163.03970	5.3
173.04518	0.4
205.05003	0.2
217.05067	0.5
277.46484	0.2
281.06500	0.2
303.07190	0.2
349.09225	1.7
374.26212	0.2
375.27307	0.2
425.13104	0.6
467.14175	0.3
470.05023	0.2
553.15594	0.5
571.16772	0.4
595.16760	1.2
596.16827	0.2
613.17767	2.8
614.18262	0.5
655.18915	10.3
656.19189	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.1
59.01263	4.2
60.70070	0.1
61.98703	0.1
71.01270	0.6
71.04469	0.1
71.38325	0.1
73.02818	0.4
83.01276	0.3
85.02853	0.2
87.00771	0.5
89.02328	0.3
89.03865	0.3
93.03357	0.2
97.02843	0.1
100.78530	0.1
101.02350	0.8
113.02354	0.8
117.03375	29.5
117.88105	0.1
118.03694	1.3
119.04945	4.9
120.05252	0.2
125.02396	0.2
131.61676	0.1
141.01860	0.2
142.02145	0.1
143.03535	0.2
143.04865	0.1
145.02885	100.0
146.03223	4.2
161.04497	0.3
163.03958	4.7
164.04240	0.2
173.04504	0.1
173.06032	0.3
179.05583	0.1
187.03989	0.1
191.07098	0.1
209.11830	0.6
217.05089	0.3
220.88896	0.1
235.05978	0.1
277.07315	0.1
290.58734	0.1
305.08759	0.1
307.08307	2.8
308.08698	0.3
323.09927	0.2
341.10913	0.6
365.10699	0.1
383.12244	0.4
425.13138	0.3
426.14050	0.1
481.13333	0.1
511.14581	0.1
527.00348	0.1
553.15588	0.3
571.16797	0.8
572.16388	0.2
592.78705	0.1
595.16846	0.3
613.17865	3.2
614.18286	0.4
655.18909	14.7
656.19287	2.3
656.28180	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	654.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.3
61.98715	5.3
65.08944	0.3
69.03343	0.7
70.34711	1.4
71.01279	2.9
72.37255	0.3
72.99203	0.4
73.02827	0.7
81.03365	0.5
82.76923	0.4
83.01263	1.0
85.02837	2.2
89.02324	0.7
91.00694	0.3
93.03336	1.8
95.01284	1.3
96.95895	1.1
97.02840	0.6
99.00747	0.4
101.02339	1.7
106.06531	47.2
107.06871	2.0
108.02077	30.1
109.02882	12.2
110.03222	0.5
110.10307	0.4
113.02387	1.2
116.92774	0.6
119.03397	0.5
121.02856	2.0
123.00790	1.1
125.02370	0.8
132.04478	0.4
135.00798	0.7
135.04422	1.1
137.02325	0.6
145.02867	1.7
148.07578	0.5
149.02368	0.9
150.05545	44.7
151.00307	0.6
151.03918	1.0
151.05896	1.5
152.01089	50.4
153.01884	16.1
154.02248	1.0
155.03418	0.4
163.03961	1.4
164.07129	1.2
165.01917	1.1
167.03474	0.5
173.04536	1.4
175.03983	0.4
177.01932	0.8
179.03366	0.8
179.61015	0.3
181.05013	0.5
188.27739	0.4
191.05586	1.5
192.06671	2.4
195.02939	0.5
198.09241	0.9
224.07137	3.3
225.04002	0.7
225.07442	0.4
231.07837	0.4
234.47055	0.3
238.08882	0.5
249.09209	0.8
275.07239	2.8
275.20370	0.3
297.06158	0.6
315.07285	13.7
316.07669	1.4
353.09018	0.4
386.12540	0.5
430.11514	0.6
448.12585	29.8
449.12949	3.1
474.10648	0.7
490.14127	0.8
492.11575	100.0
493.11890	13.0
534.12769	1.5
576.22803	0.4
594.14825	1.2
654.16931	5.5
655.17078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64455	0.3
56.47542	0.3
57.03339	0.6
57.06646	0.3
58.02834	0.5
59.00653	0.3
59.01271	2.1
61.98708	1.2
69.03324	0.5
71.01274	1.3
71.56230	0.4
73.02824	0.4
75.00771	0.3
84.04438	1.3
85.02862	0.5
86.02377	0.6
88.84483	0.3
88.98719	0.3
89.02331	0.4
93.03346	0.7
96.95911	0.4
96.96908	0.3
101.02349	0.9
102.01873	1.4
104.52757	0.3
111.00800	0.4
113.02342	0.9
128.03465	5.7
129.08240	0.3
136.90706	0.3
145.02879	1.1
162.54439	0.3
167.88834	0.3
173.04517	1.1
174.02130	0.3
175.03883	0.3
184.88925	0.3
191.05553	0.4
226.01053	0.3
257.06073	0.8
258.04120	0.5
258.06894	13.7
259.07437	1.6
262.04568	0.8
263.05252	1.2
272.08542	0.8
275.05371	1.1
285.05685	2.7
286.06464	4.1
287.07101	0.7
289.03403	1.0
290.04172	2.6
291.04922	14.0
292.05325	1.5
297.11841	0.4
299.07040	0.4
300.07608	0.3
301.03339	0.3
317.02835	20.4
318.03528	9.8
319.04395	49.9
320.04752	5.0
333.06012	0.9
361.05411	1.6
373.25909	0.7
481.09732	100.0
482.10077	13.6
482.17157	0.4
653.33539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42707	0.3
59.01274	0.4
62.96286	0.6
69.25535	1.2
69.25948	2.5
74.14548	0.3
78.95795	100.0
96.96872	1.0
100.17998	0.4
128.59766	0.4
149.00040	4.9
152.99536	2.3
157.75146	0.4
168.66907	0.4
171.10181	0.4
205.16017	2.2
234.06984	0.6
255.23282	3.7
256.84192	0.3
285.12665	4.0
286.13162	0.4
355.16769	2.4
356.17392	0.5
363.94897	0.4
385.17914	0.8
417.12271	0.5
447.13489	5.9
448.14136	0.5
510.12424	0.4
563.33820	0.4
635.36707	0.6
653.30243	60.7
654.30591	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.0
57.03331	1.1
58.00481	1.9
59.01266	37.3
60.01608	0.3
61.98718	0.2
67.01795	0.2
68.99696	0.6
69.03349	2.7
71.01270	35.2
71.56747	0.3
71.57157	0.2
72.01588	0.5
72.99198	3.0
73.02836	6.1
75.00771	0.9
78.62986	0.2
81.03349	1.5
83.01276	4.0
85.02840	7.3
85.99998	0.3
87.00770	9.2
87.04413	0.2
89.02337	28.9
90.02685	0.4
91.03915	0.7
91.07140	0.2
93.03369	0.5
95.01283	2.5
95.04881	0.2
97.02853	6.0
98.03179	0.2
99.00768	2.2
99.04401	0.5
101.02345	30.6
102.02695	0.6
103.00285	0.4
103.03944	0.6
109.02870	0.7
111.00787	0.7
111.04453	1.2
113.02357	14.4
115.03915	0.8
119.03417	9.0
121.02876	0.5
123.00822	0.2
123.04414	0.5
124.01621	0.5
125.02371	12.5
126.02717	0.3
127.03922	0.7
131.03459	1.7
133.04959	1.2
137.02367	0.3
139.00304	0.3
139.03925	1.0
141.01866	0.6
143.03441	6.3
149.04428	1.1
151.04051	0.3
155.03477	0.3
161.04495	6.7
167.03471	0.9
169.05054	0.6
171.02905	0.5
179.05583	6.7
185.04489	0.9
199.06020	0.4
203.05663	0.4
217.07213	0.8
219.05157	0.4
221.06712	2.4
235.08244	13.6
236.08603	0.6
237.22243	0.3
245.06680	1.0
253.09317	3.0
255.23328	99.1
256.23676	8.4
263.07733	1.7
269.24960	0.5
277.09332	0.9
287.07837	3.4
291.45392	0.2
305.08823	4.5
306.09311	0.3
323.09900	1.9
361.11362	0.4
379.12485	1.2
397.13580	100.0
398.13895	8.8
415.14655	34.7
416.14960	2.9
417.49704	0.2
503.41119	0.2
642.20648	0.3
653.37689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02561	0.3
55.01755	1.2
57.03340	1.3
58.00480	2.2
59.01264	38.5
60.01600	0.3
60.73236	0.2
61.98722	0.3
64.90108	0.2
67.01773	0.3
68.99702	0.7
69.03341	2.2
69.29583	2.5
71.01268	38.8
72.01608	0.5
72.78444	0.3
72.99195	3.7
73.02834	5.8
75.00763	0.7
78.95798	0.5
81.03349	2.1
83.01275	4.3
83.04914	0.5
85.02844	7.8
87.00770	9.1
87.04422	0.2
89.02336	30.7
90.02679	0.5
91.03904	0.7
93.03374	0.3
95.01284	2.4
97.02850	6.4
98.03132	0.3
98.20573	0.5
99.00786	2.4
99.04412	0.5
101.02345	31.4
102.02679	0.5
103.00291	0.4
109.02841	0.5
111.00793	0.6
111.04433	1.2
113.02354	14.9
114.02681	0.4
115.03896	0.6
119.03414	8.9
121.02894	0.4
123.00803	0.3
124.01606	0.4
125.02363	12.6
126.02639	0.2
127.03928	0.5
129.01846	0.4
131.03439	1.3
133.05005	1.2
137.02377	0.4
139.03917	1.1
141.01886	0.7
143.02351	0.5
143.03429	6.4
149.02473	0.3
149.04500	1.0
152.99530	0.8
161.04506	6.5
163.03951	0.4
167.03409	0.4
169.04994	0.7
171.02899	0.5
179.05563	6.3
185.04485	0.2
199.06073	0.5
200.15503	0.2
203.05423	0.3
205.50648	0.2
217.07101	1.1
219.05072	0.4
221.06645	2.5
235.08253	14.1
236.08569	0.6
245.06654	0.8
253.09340	3.4
255.23332	100.0
256.23660	8.0
256.26398	0.4
263.07846	1.2
269.24969	0.7
277.09308	1.0
287.07809	3.9
305.08813	4.4
306.09299	0.3
323.09964	1.9
337.86591	0.2
361.11316	0.8
379.12433	0.9
397.13580	99.4
398.13931	8.4
398.19284	0.4
402.79907	0.3
415.14661	33.7
416.14972	2.5
571.28809	1.0
653.27240	0.3
653.37244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88061	0.4
59.01266	1.9
61.98726	3.8
69.03362	0.5
69.47015	1.6
69.47449	2.2
71.01270	3.1
73.02837	1.3
81.03370	0.6
83.01284	1.9
83.04922	2.2
85.02845	0.9
89.02354	0.9
90.30544	0.4
93.03355	11.5
95.01299	0.5
96.95935	1.6
97.02867	0.6
98.20573	0.7
99.00794	0.9
101.02357	1.1
106.06522	0.6
108.02060	0.6
109.02842	2.5
111.00793	2.0
111.04444	6.6
113.02409	0.8
125.02332	0.6
134.03665	0.7
135.04472	1.1
137.02394	3.1
145.02910	1.9
147.80777	0.5
150.05528	0.6
151.00400	0.6
152.01112	1.7
153.01927	0.8
155.03438	3.7
161.02420	1.0
163.03935	0.6
173.04567	3.0
174.11253	0.4
175.03941	1.0
179.03458	0.8
187.03931	0.5
191.05571	1.3
191.08685	0.7
193.06532	0.7
195.26566	0.5
215.03505	2.1
219.08156	44.2
220.08510	3.7
221.09798	0.6
240.10875	0.4
245.06079	0.9
246.06902	1.4
247.07675	74.1
248.08014	5.7
263.07181	74.9
264.07535	5.0
265.08792	1.6
289.05118	3.3
290.05768	0.9
291.06696	100.0
292.06989	8.2
299.07861	2.6
300.02869	0.6
304.07443	1.0
309.02148	0.5
333.07733	1.2
427.14371	0.7
442.23102	0.5
453.11987	1.9
492.11530	1.7
591.15021	1.5
609.16321	19.8
609.25134	0.8
610.16467	2.9
653.14850	1.0
654.17035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.4
63.02274	0.3
64.58197	0.2
65.00195	0.9
70.91739	0.4
70.92066	0.2
71.01281	0.3
83.01279	0.6
84.73415	0.2
93.03345	0.3
95.01265	0.2
98.76641	0.2
107.01296	1.4
108.02086	1.6
121.02831	0.4
123.00764	0.2
125.02389	0.3
135.00830	0.6
148.01588	1.4
151.00302	3.5
152.00737	0.2
161.02394	0.2
163.00296	1.1
164.01071	0.6
169.01414	0.3
173.04478	0.3
178.99832	2.7
183.04515	0.3
187.03951	0.3
191.05516	0.2
192.00690	0.4
198.03185	0.2
199.03979	0.8
201.01955	0.4
211.03992	0.7
215.03516	0.7
216.04263	0.5
226.02789	1.5
227.03496	2.8
243.03004	11.4
244.03568	0.9
254.02243	2.2
255.03018	26.7
256.03439	2.1
270.01688	0.3
271.02527	60.0
272.02975	6.1
273.03671	0.3
288.94934	0.2
299.02042	2.1
300.02802	100.0
301.03268	11.0
302.03940	0.4
324.45236	0.2
326.03146	1.0
343.04086	0.3
487.08838	0.3
489.10364	0.5
609.15070	1.6
610.14758	0.2
651.15784	53.1
652.16077	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	651.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03339	0.9
58.00463	2.2
59.01266	36.8
59.57651	0.5
60.01565	0.5
61.98698	0.7
65.61446	0.4
68.99673	0.5
69.03328	1.7
71.01271	36.0
71.58932	0.5
72.99206	2.9
73.02831	5.6
75.00754	0.9
81.03352	1.5
83.01287	3.8
85.02850	7.7
87.00769	8.1
89.02339	30.3
90.02681	0.8
91.03926	0.8
93.03345	0.5
95.01292	2.7
96.97887	0.5
97.02847	5.9
99.00809	2.6
99.04453	0.6
101.02349	28.6
101.72901	0.5
109.02834	0.5
110.01871	0.5
111.04424	0.7
113.02360	12.5
115.03913	0.5
119.03423	9.6
121.02866	0.7
125.02369	10.5
131.03447	1.4
133.04996	1.1
139.03920	0.8
143.03419	5.3
149.04448	1.1
152.53023	0.5
161.04500	6.8
179.05576	6.7
180.08820	0.5
185.04468	0.8
193.83633	0.5
217.07159	1.0
221.06628	2.3
235.08272	14.7
236.08592	0.8
253.09474	2.9
253.21762	100.0
254.22107	6.8
263.07678	1.6
277.09332	0.7
287.07831	3.9
305.08835	4.0
323.09903	1.8
328.34079	0.5
347.73309	0.5
361.11542	0.7
379.12396	0.6
397.13599	89.6
398.13904	6.2
415.14655	32.8
416.14700	2.5
620.62634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76588	0.3
54.01260	0.3
58.77301	0.3
59.01262	8.7
61.98717	0.6
69.03336	0.7
71.01273	1.9
73.02836	0.6
78.95784	2.4
79.95622	1.0
83.01271	0.4
85.02856	0.9
87.00772	0.6
88.98688	0.3
89.02328	1.0
93.03371	0.6
96.95911	31.9
96.96829	4.0
97.02879	0.7
98.02375	1.1
98.19759	0.7
99.27407	0.3
101.02344	1.2
113.02357	1.9
117.03371	25.7
118.03700	0.7
119.03499	0.3
119.04945	3.6
125.02328	0.5
133.02855	0.4
143.03458	0.6
145.02884	100.0
146.03232	5.2
161.04573	0.6
163.03967	5.6
173.04507	1.6
173.05864	0.3
177.78845	0.3
191.05522	0.9
207.59277	0.3
217.05023	0.5
235.06180	0.4
289.07291	0.6
323.09903	0.9
341.11023	0.7
349.09280	0.5
479.68045	0.4
487.22131	0.4
511.15005	0.6
553.15765	3.7
571.16644	3.0
572.17328	0.6
605.23694	0.5
613.17828	27.0
614.18250	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	649.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.5
57.30660	0.6
59.01263	4.1
61.98718	0.9
65.00214	0.7
65.72153	0.5
66.81912	0.6
67.01779	2.7
68.99719	0.8
69.03329	1.2
70.35451	2.1
71.00898	0.6
71.01270	7.0
72.99175	0.5
73.02832	1.3
77.26791	0.5
78.95785	1.0
81.03350	2.8
81.36185	0.5
83.01270	1.3
85.02847	2.4
87.00785	1.5
89.02320	0.9
91.01791	2.2
93.03369	3.8
95.01286	2.4
96.99199	1.1
97.02843	0.9
99.00775	1.1
101.02349	3.8
107.01313	2.5
108.02082	6.5
109.02880	3.7
111.00813	2.6
113.02345	2.9
117.03352	0.7
121.02897	0.6
123.00819	4.3
123.04443	12.1
124.01539	1.0
125.02354	3.2
125.09595	0.6
134.03612	1.2
143.61089	0.5
150.03201	0.5
151.00302	9.6
151.03893	0.9
152.01091	13.0
153.01880	5.3
160.01573	2.0
165.01898	0.6
166.02670	4.3
167.03448	41.8
168.03760	1.5
169.06482	1.0
171.10258	1.1
173.04553	0.7
175.03979	2.0
181.05008	2.1
185.00871	0.5
191.05553	1.0
193.04999	1.8
193.06572	1.7
194.02187	2.1
195.02992	1.1
201.11366	3.0
202.11671	1.8
203.08598	0.8
209.04541	10.9
209.06384	1.1
209.11826	2.8
210.12221	1.2
219.08147	7.9
221.06152	1.9
221.09752	1.8
227.13039	0.6
229.06633	0.7
230.07373	7.5
231.08136	9.6
232.08472	0.6
233.06104	1.3
234.06866	0.7
247.07681	30.2
248.08009	2.3
249.09235	78.0
250.09584	7.4
258.06873	6.7
259.07263	0.6
261.05502	3.1
263.10751	0.7
269.06735	3.8
273.05670	1.8
274.06296	1.3
275.07202	100.0
276.07504	9.3
291.10217	1.4
293.08261	0.7
296.05453	5.2
297.06110	3.5
311.07794	88.5
312.08099	6.8
370.62305	0.6
559.16400	1.8
561.17700	9.3
562.18182	1.5
581.81952	0.7
587.15698	39.4
588.15967	7.5
605.17377	1.0
605.26172	1.2
631.14783	8.6
632.14795	1.9
649.15936	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	649.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
57.88022	0.1
59.01266	5.8
61.98713	0.3
69.03347	0.4
69.58398	0.4
69.58804	1.1
71.01273	1.5
73.02840	0.9
75.00735	0.2
78.95820	0.2
83.01289	0.7
85.02840	0.6
87.00774	0.7
89.02330	0.8
89.03857	0.3
93.03358	0.6
95.01263	0.2
96.95920	0.8
96.96860	0.2
97.02863	0.4
99.00828	0.4
101.02354	1.9
113.02353	1.4
116.92792	0.4
117.03380	27.1
118.03709	1.0
119.03514	0.3
119.04953	5.8
121.02903	0.3
125.02462	0.4
131.03447	0.2
133.02881	0.2
135.04469	0.3
141.01912	0.2
143.03517	0.3
143.04935	0.2
145.02892	100.0
146.03233	5.0
147.04402	0.2
149.04579	0.2
161.02354	0.4
161.04530	0.5
161.06029	0.3
162.52086	0.2
162.86662	0.2
163.03960	6.9
164.04308	0.4
171.04469	0.2
173.04546	0.7
173.05925	0.2
177.32620	0.1
185.00842	0.4
187.03969	0.3
191.05550	0.3
205.05095	0.2
208.14722	0.2
217.05132	0.4
265.51685	0.2
307.08307	2.1
323.09930	0.4
332.69461	0.2
341.10886	1.0
383.11981	0.6
425.13138	0.2
459.19070	0.3
511.14838	0.2
529.14929	0.4
553.15912	1.4
571.16724	3.5
572.16931	0.6
605.23346	0.3
613.17847	32.7
614.18195	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03485	0.3
50.78748	0.2
57.90747	0.2
59.00992	0.4
59.01264	5.9
61.98709	0.6
69.03353	0.5
71.01267	2.2
71.58788	0.3
73.02839	0.9
75.00750	0.3
78.95772	0.3
81.03387	0.2
83.01286	0.7
85.02837	0.8
87.00765	1.4
88.98717	0.2
89.02350	1.0
89.03833	0.3
93.03367	0.7
96.95898	0.5
97.02846	0.5
101.02325	1.7
111.00798	0.3
113.02345	1.4
116.92753	0.3
117.03375	23.6
118.03706	0.9
119.03429	0.3
119.04916	1.8
123.04400	0.3
125.02368	0.5
129.01814	0.2
132.02202	0.3
133.02872	0.3
134.03633	1.3
135.04454	0.7
137.02348	0.4
145.02887	100.0
146.03218	4.6
149.05994	0.3
151.03894	0.3
160.01590	1.4
161.02370	0.2
161.04510	0.7
163.03987	2.1
164.91306	0.3
173.04561	1.7
173.05919	0.4
175.03961	1.5
176.04652	0.3
179.03448	0.3
185.00815	0.2
191.05582	0.7
193.05058	1.0
201.11328	0.6
209.11823	0.4
217.05055	0.4
235.06149	0.3
299.77219	0.2
300.02914	0.3
307.08328	2.3
323.09863	0.6
341.11115	1.2
383.12131	1.1
425.13031	0.5
429.17755	0.5
549.68591	0.2
553.15540	0.7
554.16321	0.3
571.16833	1.2
605.26074	1.8
613.17847	22.4
613.60193	0.3
614.18158	3.3
649.29327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
57.40930	0.2
59.01266	5.6
61.98711	0.3
62.24237	0.2
69.03336	0.6
69.29185	0.1
71.01269	2.1
71.04335	0.2
71.04684	0.4
72.99189	0.3
73.02853	1.0
75.00761	0.2
83.01279	0.7
85.02845	0.8
87.00316	0.2
87.00764	1.0
89.02316	0.8
93.03370	0.6
95.01281	0.2
96.95891	1.0
97.02857	0.4
99.04470	0.2
101.02344	1.6
109.02871	0.5
111.00816	0.3
113.02361	1.3
117.03379	26.0
118.03716	0.7
119.03456	0.3
119.04943	5.1
120.05270	0.4
121.02900	0.2
125.02364	0.3
133.02861	0.2
135.04439	0.7
135.63402	0.2
143.03444	0.5
145.02890	100.0
146.03229	4.5
155.03317	0.2
160.01532	0.2
161.02415	0.3
161.04518	0.6
161.09557	0.2
163.03957	6.1
163.84886	0.2
164.04259	0.2
173.04494	1.3
173.05995	0.4
177.01823	0.2
177.05499	0.3
179.05573	0.5
185.00925	0.3
191.05609	0.7
217.05092	0.5
221.04550	0.6
307.08408	1.2
311.07800	0.9
323.09918	0.4
341.11023	0.7
349.09204	0.8
383.12039	0.5
425.12997	0.2
455.92960	0.2
477.16321	0.2
487.21875	0.6
511.14841	0.4
529.15570	0.2
553.15710	1.0
554.15247	0.2
571.16833	3.9
572.17322	0.5
613.17865	33.0
614.18219	5.7
649.28534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61739	0.8
55.01749	0.9
56.25066	0.7
57.03331	2.3
58.00481	6.4
59.01265	97.3
60.01584	1.2
61.36234	0.8
70.02869	2.1
71.01269	66.0
71.26817	1.8
72.01596	1.4
72.99197	7.3
73.02840	2.1
75.73683	0.8
78.08470	0.8
83.01269	3.2
83.04930	2.0
85.02836	13.6
85.06483	2.6
86.02339	0.9
87.00771	3.5
88.03931	1.5
89.02337	72.7
90.02681	1.0
95.01288	4.8
95.04924	1.3
101.02348	41.3
101.03017	2.0
108.08133	4.6
113.02355	23.1
119.03420	39.0
120.03669	0.9
123.38116	0.8
124.07557	1.2
126.09162	7.2
131.03412	3.5
138.09196	2.7
143.03423	7.1
149.04521	4.3
156.10219	2.5
161.04443	5.7
166.08681	1.6
179.05571	20.1
184.09761	2.3
202.91679	0.9
256.23770	1.1
262.96716	1.1
281.28543	14.4
282.29080	1.2
309.28073	3.3
326.30762	0.9
327.29050	8.3
352.32343	5.3
368.31778	2.1
380.31409	0.8
436.37927	1.3
448.38043	3.6
466.39124	49.5
467.39450	7.0
484.40152	15.8
485.40292	2.7
611.87439	1.0
615.00165	1.0
646.45471	100.0
647.45776	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	647.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	6.9
61.98711	1.4
65.21822	1.3
67.27322	1.1
69.03358	1.6
70.87865	3.3
71.01276	7.2
73.02824	1.5
78.95793	2.8
82.13762	1.2
83.01270	2.1
83.04910	1.6
85.02850	3.6
87.00768	1.4
89.02316	2.2
91.01764	1.3
93.03360	5.0
95.01260	3.9
101.02338	5.2
107.01283	1.8
108.02090	5.1
109.02876	9.8
111.00781	4.1
113.02371	4.2
115.35748	1.4
117.03316	1.6
123.00745	4.4
123.04415	5.6
125.02351	3.8
125.09641	3.2
127.11153	2.1
128.64020	1.2
134.03651	7.7
137.02306	1.4
149.05974	1.4
151.00334	7.3
152.01112	9.1
153.01888	22.1
160.01640	6.9
161.02396	1.6
163.11273	1.4
165.12819	1.4
166.02707	2.1
167.03452	23.0
173.04512	1.8
175.03967	5.1
193.05066	7.6
195.03047	2.0
201.11290	25.0
209.04506	3.3
209.11786	18.2
215.03485	3.8
217.06670	3.1
219.08148	42.1
220.08496	4.5
227.12831	1.8
245.06070	6.0
246.06808	4.8
247.07675	34.6
248.08047	3.1
253.09258	3.6
263.07169	18.9
264.07562	2.4
277.08755	4.8
289.05139	38.2
290.05768	6.3
291.06680	29.2
292.07047	2.4
296.05441	2.3
297.06238	9.9
304.07571	2.6
305.08173	1.6
311.07834	24.8
312.08078	1.8
397.11502	1.4
453.11877	1.8
457.36462	1.5
483.14548	1.6
559.16156	14.7
560.16364	3.0
575.15894	6.8
603.15222	100.0
603.23566	3.8
604.15558	19.9
647.29767	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	643.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.6
61.98703	3.1
69.03324	1.4
71.01257	2.6
73.02835	1.3
78.95781	4.3
79.15397	0.9
79.95602	2.2
80.04945	3.0
81.03360	1.4
85.02826	2.0
89.02291	1.2
93.03311	1.2
94.06532	5.6
96.95913	96.5
96.96811	6.4
97.02847	1.2
101.02350	1.5
106.06519	2.4
107.03673	11.4
107.54361	0.9
113.02323	1.3
117.03385	1.8
117.40791	0.9
118.03725	1.0
118.06552	1.1
119.04887	1.2
120.04462	1.1
120.08105	23.3
121.05230	1.0
122.06036	86.7
123.06369	3.7
124.07597	2.9
132.04449	3.4
134.06035	10.9
136.07559	1.0
139.02692	2.1
145.02924	5.1
146.03239	2.3
146.09550	0.9
147.03226	1.4
148.03976	1.3
150.05568	2.1
152.07114	100.0
153.07419	2.8
160.04048	2.2
163.03838	1.0
164.07100	1.2
166.05032	1.2
166.49576	0.9
173.04602	2.4
174.05589	2.3
185.00768	1.4
190.05095	4.4
191.05521	3.3
197.11810	18.3
198.12126	1.1
199.13341	2.2
209.11839	16.6
210.12045	1.1
211.12448	1.4
221.10809	1.4
223.08800	11.0
223.84595	1.0
224.09496	5.4
225.10301	3.3
227.12845	4.6
235.08820	1.4
235.12421	3.0
236.09540	1.5
237.06651	2.0
237.10374	12.7
238.11052	6.3
239.08205	1.0
239.11893	15.3
240.12314	1.2
241.13402	1.7
243.15039	0.9
245.12929	2.7
247.07567	1.5
249.06700	2.0
249.10306	2.2
250.07417	2.7
251.08269	7.2
251.11908	8.3
252.08812	1.2
252.12286	1.3
253.09601	2.0
253.13483	1.3
262.11139	1.1
263.08286	5.0
263.11957	1.3
264.09064	10.4
265.09845	11.3
267.11310	2.1
271.11035	7.1
276.08981	1.6
277.09808	3.3
278.10580	4.1
279.11426	31.9
280.11926	6.1
281.12943	3.6
283.10989	2.2
291.11453	6.8
292.12045	1.7
293.13028	1.2
295.10907	4.3
297.12628	1.1
311.13870	1.3
313.11813	2.5
323.10431	7.8
324.11099	3.1
325.11792	2.7
339.09952	1.4
341.11520	1.4
342.16122	1.5
343.13062	1.2
355.13126	4.9
356.13596	1.0
358.15561	1.2
359.16434	1.8
360.17117	3.3
370.15598	1.5
372.17245	1.2
376.20624	1.1
388.16675	1.7
389.17310	1.7
402.18344	16.7
403.18848	3.9
404.19702	4.0
414.18231	1.2
416.16199	3.4
417.20740	1.9
420.19345	1.2
430.17786	1.8
433.20987	1.2
434.16983	1.2
444.19327	12.8
445.20264	4.3
446.17065	1.5
448.18854	18.4
449.19357	2.5
460.18848	1.4
461.19461	2.4
471.18417	1.3
488.18359	16.2
489.19153	16.5
490.19556	2.5
520.20990	24.0
521.21765	15.4
523.27136	2.2
525.25006	4.2
567.26263	22.3
568.26636	2.9
570.24951	1.5
574.39417	1.0
583.26172	1.9
611.25244	69.5
612.25525	12.2
643.27832	96.0
644.28149	18.9
656.18872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84043	0.5
53.93575	0.5
59.01260	1.8
61.98713	1.7
70.35347	1.5
71.01264	1.0
80.04942	2.0
94.06520	5.3
96.95913	3.8
98.95489	0.7
104.04995	0.7
105.05740	0.6
106.06532	2.1
107.03680	12.1
116.43544	0.6
120.04514	1.3
120.08108	23.1
121.05255	1.4
121.08395	0.6
122.06039	85.3
123.06377	2.4
124.07596	1.8
132.04482	4.0
134.06041	9.1
136.07629	1.7
137.04785	0.9
139.02657	2.3
146.06085	0.7
147.03171	0.7
148.04002	1.2
150.05568	1.7
152.07114	93.6
153.07436	3.4
158.02451	0.7
160.03984	1.9
164.03473	0.7
164.07143	2.6
172.07649	1.1
173.04549	1.7
174.05510	0.8
186.05524	0.7
190.05083	2.7
197.11868	4.2
200.07277	1.0
209.07239	0.6
209.11804	2.7
210.07916	1.1
211.08675	0.8
211.12396	1.8
213.13898	0.6
221.10866	1.6
223.08746	8.3
223.12323	1.0
224.09511	4.6
225.10287	3.6
227.12834	0.7
235.12466	2.7
236.09497	2.1
237.10341	14.1
238.11041	5.4
239.11920	9.7
241.13452	1.4
243.15082	0.7
245.12997	3.6
249.06786	2.0
249.10271	2.1
250.07362	1.1
251.08318	3.6
251.11928	7.3
252.12643	1.0
253.09801	0.7
253.13344	0.8
263.08337	5.4
263.12024	1.4
264.09085	12.2
265.09808	8.5
266.10626	1.4
267.11407	1.7
269.12845	0.6
271.10928	2.6
276.09048	2.2
277.09921	4.6
278.10626	6.0
279.11450	39.7
280.11954	5.9
281.13000	1.5
283.10999	1.9
285.12405	0.7
287.14142	1.0
291.11496	9.0
292.09003	1.1
292.12140	3.8
293.09491	0.9
293.13040	1.0
294.10239	0.8
295.10904	5.0
295.14288	1.1
296.11691	1.3
297.12512	1.2
305.09415	1.0
305.13007	0.6
310.13098	0.8
311.13950	1.9
313.11945	1.5
322.09534	1.1
323.10449	9.5
324.11002	2.7
325.12131	2.8
326.12729	1.2
335.10504	1.5
342.16074	0.8
344.14139	0.8
355.13040	2.5
356.14044	1.1
357.15057	0.7
360.17258	3.2
371.16098	0.9
372.17169	1.8
376.20364	1.1
384.17627	0.8
386.14926	0.9
387.15683	0.9
388.16708	1.8
389.17358	1.4
398.19058	0.9
400.20605	1.2
402.18286	13.9
403.18887	2.5
404.19937	1.6
412.16736	0.7
414.18338	1.4
416.15451	1.1
416.19940	2.0
417.20813	1.5
426.18152	1.0
427.18637	0.8
430.17526	1.2
444.19391	12.1
445.19577	3.3
446.17389	1.1
447.17734	1.0
447.50613	0.7
448.18781	8.4
449.19089	1.3
460.19067	1.3
461.19504	3.0
471.17950	1.6
488.18372	23.6
489.19009	16.1
490.19485	2.2
508.20612	1.2
520.20978	47.2
521.21411	7.9
523.27179	1.0
525.25208	3.8
553.20477	1.0
556.84949	0.8
567.26251	32.8
568.26532	5.7
570.25317	0.7
583.25647	1.4
611.25214	100.0
612.25500	20.7
612.32977	0.6
643.27881	41.2
644.28088	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	643.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33500	0.4
57.03335	0.8
59.01251	1.8
60.99192	0.4
61.98708	3.0
62.14679	0.5
63.83253	0.4
65.89088	0.4
67.01775	4.4
69.03333	1.3
71.01283	3.4
81.03369	0.6
83.04897	1.0
93.03358	28.9
94.03686	0.5
96.95911	1.4
97.02851	0.6
111.00770	0.7
111.04423	4.4
113.02319	0.7
133.02869	1.1
134.03690	3.9
135.04445	29.3
136.04787	0.9
137.02354	5.2
139.03947	0.5
155.03436	4.6
156.31871	0.5
173.04509	100.0
174.04857	2.4
178.02654	2.3
179.03464	16.8
180.03763	1.0
191.05586	1.8
193.08391	0.5
194.24422	0.5
228.62021	0.4
229.21739	0.6
352.08054	1.4
425.23331	3.0
461.21893	0.5
469.22351	6.6
496.63153	0.5
643.27808	10.0
643.38654	0.9
644.28210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06075	0.4
50.85144	0.3
52.70336	0.4
57.03335	0.5
59.01260	0.6
60.30181	0.3
60.99189	1.0
62.48941	0.3
67.01774	5.5
69.03339	1.3
69.54093	0.4
71.01275	3.2
71.59045	0.8
76.21534	0.4
81.03352	1.1
83.04908	1.3
85.02816	0.5
87.00768	1.5
93.03359	33.4
94.03691	0.7
99.04375	0.4
101.16050	0.4
109.02840	0.9
111.00758	1.1
111.04424	5.2
113.10967	0.4
121.27713	0.4
127.00170	0.4
127.03957	0.4
133.02907	0.8
134.03661	12.7
135.04451	17.7
136.04756	0.7
137.02362	4.0
139.11232	0.5
155.03426	3.9
171.10437	0.3
173.04509	100.0
174.04836	2.9
177.01823	0.6
178.02672	1.6
179.03448	2.8
181.84048	0.4
182.82344	0.3
191.05649	3.0
199.13377	0.9
235.00575	0.4
235.60202	0.4
291.19727	12.6
292.20001	0.9
294.51712	0.4
345.06879	0.4
407.22437	0.5
425.23386	8.6
426.23920	1.0
469.22296	3.4
470.22626	0.5
643.27661	8.1
644.28107	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	641.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75718	0.7
57.03334	1.3
59.01269	1.9
61.98723	4.6
68.98898	0.8
69.03346	6.9
71.01272	1.4
71.58601	0.8
80.02566	0.9
81.03348	0.8
83.04921	2.7
84.02039	0.7
89.15033	0.8
93.03359	1.4
95.04948	1.1
97.02856	36.4
97.06483	4.3
109.06500	1.3
111.08065	1.9
119.08570	1.2
121.10230	1.0
123.04440	0.8
123.08083	1.1
125.06094	0.8
125.09657	3.8
137.09656	9.3
141.12811	0.9
141.34843	0.7
151.11221	1.2
155.10600	0.7
163.11263	3.5
165.09131	1.0
165.12813	9.2
166.09941	0.7
171.10226	12.2
173.04562	0.9
175.11230	1.2
177.12744	1.3
179.14331	1.7
179.35916	0.6
181.12321	1.7
183.13855	2.1
185.11752	1.2
191.14436	0.9
193.08426	13.3
193.12259	3.9
193.15930	1.0
195.13916	0.9
203.54572	0.7
207.10101	3.5
209.11858	5.3
211.13446	4.8
215.10638	3.4
221.11839	1.4
223.13258	1.0
225.11438	0.9
227.12997	3.8
233.11635	7.8
245.11673	5.7
245.19118	1.1
247.20761	7.8
259.09601	1.2
261.11151	3.4
262.11923	22.7
263.12381	1.2
273.14621	0.9
273.18701	2.5
287.16440	3.0
291.19748	53.1
292.20117	4.8
309.20789	100.0
310.21115	8.0
313.17941	6.2
331.18997	31.9
331.23001	1.1
332.19241	2.5
371.27249	0.8
375.17880	2.3
500.00452	0.8
532.85419	1.0
631.12024	0.8
641.40491	62.7
642.40839	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	641.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17476	0.8
51.24216	0.8
51.91244	0.7
54.26481	0.7
55.01760	0.9
56.25981	0.7
57.03337	2.4
59.01252	3.6
61.98711	6.5
67.01782	1.0
69.03340	15.9
71.01264	4.0
71.04907	16.1
71.58730	1.3
78.94662	1.0
80.28089	0.8
80.96362	0.9
83.04918	2.0
83.55277	0.8
85.02808	1.3
89.02350	1.2
93.03357	3.1
95.04924	0.8
96.95904	2.7
97.02853	4.5
97.06485	3.8
99.00780	4.4
101.02336	1.2
107.04955	1.8
119.08574	1.0
121.06461	1.6
121.10139	8.7
123.08067	1.8
125.09640	9.2
133.06468	1.1
137.09647	15.7
141.12775	1.6
147.08096	3.6
171.10220	27.1
172.10603	1.3
173.04507	5.2
181.12234	1.1
185.00879	17.8
185.11780	10.8
186.01349	1.1
187.15056	0.9
191.05545	1.1
193.08452	1.0
195.10213	3.4
197.11760	4.3
205.12218	0.9
207.10028	6.2
207.13950	1.6
209.11848	4.5
211.13338	1.2
217.16013	1.1
219.13896	1.7
227.17990	1.0
235.17111	2.0
237.15024	1.8
243.17488	1.5
245.19125	7.7
247.20671	1.4
251.16566	24.6
251.85135	1.0
252.16966	1.7
253.09323	1.2
255.13588	1.3
257.11606	1.0
257.15210	2.1
259.13120	1.1
273.14609	1.5
273.18759	1.2
276.20343	0.9
283.13181	1.8
284.13937	3.2
291.19714	39.8
292.20062	4.6
295.16830	2.5
309.20776	79.7
310.21249	7.1
311.16537	1.9
313.17905	100.0
314.18256	9.9
316.12860	1.0
331.18997	25.2
332.19269	2.5
353.17096	0.8
355.32614	0.8
375.17917	7.9
407.37180	0.8
431.65588	1.0
455.26517	3.8
609.23492	2.0
622.33649	1.0
641.40454	87.5
642.40802	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	641.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
61.98712	2.4
69.03345	4.3
71.01260	0.4
71.44606	0.2
72.83997	0.2
81.03379	0.3
83.04906	1.2
93.03363	0.4
97.02839	0.4
107.08565	0.3
108.05708	1.0
109.06518	0.3
113.05974	0.2
119.08591	4.1
121.06523	0.3
123.08114	0.3
125.09649	3.3
127.11220	0.4
135.08086	1.0
137.09653	25.4
138.09995	1.2
165.08916	2.2
167.10463	0.5
169.08684	0.3
171.10231	18.0
171.99060	0.2
172.10564	0.9
179.06772	0.4
191.06862	1.7
193.08441	100.0
194.08780	3.8
197.11824	0.5
201.11276	1.0
209.07925	1.8
211.08051	0.3
211.13333	0.6
219.09961	0.5
245.11632	0.3
271.42508	0.2
273.18698	0.7
291.19675	1.7
309.20798	15.9
310.21182	1.4
313.18134	0.4
331.18958	14.5
332.19287	1.3
365.18497	0.4
503.29428	0.3
641.40082	7.7
642.40186	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	641.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24327	1.1
51.28741	1.1
57.03349	2.7
59.01251	7.1
59.49908	1.1
59.64733	1.0
61.98719	14.5
69.03349	14.1
71.01270	14.0
71.04912	12.4
71.58852	2.1
72.99226	1.2
74.92189	1.3
85.02818	2.2
87.00766	1.4
89.02344	2.7
93.03354	5.1
94.97958	2.2
95.04931	1.2
96.95909	4.4
97.02834	3.6
97.06493	4.2
99.00783	4.6
101.02392	2.4
107.04925	2.4
109.06510	1.8
113.02368	1.3
117.59499	1.3
121.10184	7.7
123.08080	2.2
125.09626	7.9
127.11234	1.8
135.04451	1.5
137.09679	10.4
147.08127	3.6
152.07039	1.5
163.11147	1.8
167.44922	1.5
171.10234	26.9
173.04483	5.7
185.00874	13.1
185.11812	10.0
186.01259	1.5
187.14790	1.4
191.05501	1.6
195.10202	5.9
197.11830	3.0
201.11279	3.1
204.16322	1.3
207.10220	8.4
209.11884	8.6
211.13496	1.7
225.11400	8.1
243.12383	2.0
245.19221	6.1
251.16577	24.2
252.16872	1.9
257.15286	2.0
283.13358	1.3
284.13922	2.8
291.19745	33.3
292.20081	4.2
309.20786	75.0
310.21078	7.1
313.17923	100.0
314.18286	6.3
331.19012	23.6
332.19318	1.5
375.17825	8.6
397.13397	3.3
406.06287	1.3
415.14505	1.7
443.80286	1.5
455.26477	3.3
525.88409	1.4
609.23346	3.2
641.29315	4.4
641.40442	89.4
642.40833	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	641.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68046	0.6
56.62000	0.7
57.03332	0.7
59.00989	1.0
59.01266	10.7
61.98713	3.4
69.03342	1.3
69.86131	3.8
71.01286	2.7
71.04913	3.9
78.95827	0.7
80.04939	8.0
85.76892	0.7
93.03333	0.8
94.06548	1.9
96.95924	3.0
101.02362	0.9
104.04984	2.9
105.05231	0.6
106.06559	2.6
107.03678	5.8
108.03127	0.7
120.04474	2.1
120.08113	2.5
121.05257	2.7
121.10157	1.4
122.06042	40.5
123.06384	1.9
124.07632	0.9
125.09647	1.3
127.69176	0.6
130.06573	0.9
132.04475	2.6
134.06059	10.9
137.09641	2.8
139.02686	1.9
148.03989	2.6
150.05551	1.2
152.07111	51.3
153.07451	2.7
160.03975	2.6
160.06384	7.5
161.04706	2.1
162.05663	0.7
164.07170	1.0
166.04962	0.8
171.10225	7.3
173.04567	2.0
174.05597	4.3
185.00900	0.8
185.11795	2.8
190.05081	2.9
190.97406	0.7
196.11215	0.8
197.07271	0.7
197.11784	0.9
198.07962	0.9
198.12871	0.7
207.10069	1.8
208.06688	0.6
211.08655	0.8
211.13487	0.6
213.10342	32.1
214.10582	1.5
214.12428	0.9
223.08778	1.6
224.09505	1.0
225.10495	2.1
226.11041	2.9
235.08823	1.1
236.09554	0.8
237.10381	2.2
239.11919	20.5
240.12291	1.4
241.13504	17.0
242.13789	1.5
245.12994	8.9
245.19116	2.0
246.13553	0.7
247.08835	0.9
249.06703	0.9
250.07513	1.1
251.11960	3.1
251.16510	6.4
263.08228	0.9
265.09872	2.7
267.11472	1.2
277.09915	1.0
285.12512	70.3
286.12836	5.1
291.11551	0.9
291.19699	9.9
293.09540	1.1
293.12961	8.2
294.13565	0.9
295.10907	4.9
296.11478	0.9
299.11917	0.9
309.20792	21.9
310.21213	1.4
313.12234	5.5
313.17908	23.5
314.18222	0.8
315.15271	0.8
316.14658	2.1
323.10434	10.8
324.10983	1.8
325.11908	2.5
326.12714	1.4
328.11044	3.6
330.12430	1.1
330.16287	1.0
331.19095	5.7
332.18054	1.3
339.09900	1.9
340.10822	0.9
340.14532	1.4
342.12543	3.2
342.16174	0.7
343.13309	4.2
344.13962	2.8
355.13062	8.1
356.13910	1.7
356.17822	2.1
357.14972	4.4
358.15659	22.0
359.16125	3.3
369.14752	1.1
370.11954	2.8
370.16071	1.2
372.17145	1.9
375.17859	1.7
384.13553	5.8
385.14221	2.8
397.14313	1.7
398.15152	1.4
399.15991	2.2
400.16803	17.1
401.17172	1.8
412.16745	4.6
413.17313	0.9
497.25351	3.6
509.21838	1.5
523.23615	11.2
524.23859	3.0
530.72394	0.8
537.25061	1.6
541.24304	1.6
547.23334	1.4
565.24664	86.0
566.24969	17.0
567.22705	0.8
568.23041	3.4
569.24359	0.8
581.24384	1.4
591.22644	1.5
597.27045	1.1
609.23663	100.0
610.23932	20.7
641.26331	25.7
641.40417	21.3
642.26514	5.6
642.40662	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	641.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.5
59.01264	15.8
67.01759	1.0
71.01268	12.9
71.04917	1.6
71.59071	1.0
72.03216	0.8
72.99188	0.8
73.02834	2.4
76.63640	0.8
83.01269	2.1
83.04903	0.9
85.02837	3.4
87.00767	2.5
89.02335	11.1
93.03337	2.4
95.01284	1.0
96.95901	2.1
97.02836	3.8
97.06484	0.9
99.00785	7.5
101.02346	6.6
108.02085	1.0
109.02858	1.8
113.02347	5.0
123.04411	3.7
125.02339	2.5
125.09641	2.8
127.11195	1.5
139.03897	1.2
142.02586	0.9
143.03479	0.8
151.00285	1.7
152.01109	1.1
153.01828	1.3
161.04489	1.1
163.11214	5.0
167.03502	2.2
173.04449	3.2
178.99832	1.5
179.05713	0.9
181.12318	12.1
182.90076	0.8
191.05528	2.6
199.13342	12.2
200.13689	1.4
203.03308	1.2
207.08372	1.5
207.10251	24.4
209.04547	1.5
221.06544	1.5
225.11320	41.5
226.11633	2.9
243.02835	1.0
243.12378	14.9
271.02484	3.0
287.01913	2.6
298.48221	0.9
299.02182	1.1
315.01474	8.3
316.01904	1.0
372.15002	1.0
395.29434	0.9
397.13614	1.1
415.14798	1.3
479.12128	2.7
482.35391	1.0
572.45483	0.9
623.12335	1.4
623.14722	1.5
623.25671	13.1
624.25665	1.7
641.15515	3.2
641.26715	100.0
642.26941	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	641.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99994	0.8
52.70933	0.8
58.00462	0.8
59.01258	3.7
59.84875	0.8
63.02266	3.6
65.00211	9.8
67.01773	1.3
68.99706	1.3
69.03345	1.3
69.03705	0.7
70.12971	0.7
71.01264	4.1
71.57491	1.4
73.02838	1.1
83.01272	5.0
83.55426	0.8
85.02833	1.8
87.00735	1.7
89.02328	2.5
93.03341	2.3
95.01270	5.4
96.99171	2.0
97.02839	1.5
99.00790	3.0
101.02352	1.8
103.37282	0.8
106.00483	2.5
107.01288	7.6
108.02140	1.5
109.02853	11.8
110.00024	1.0
111.00813	8.5
113.02335	1.5
115.05402	0.8
119.18919	0.8
120.99229	1.7
121.02862	3.4
123.00786	8.5
123.04431	1.3
124.01566	2.7
124.98709	1.8
125.01598	0.9
125.02377	5.8
128.76694	0.8
131.04941	1.8
133.02859	3.5
135.00778	2.3
135.04393	1.6
136.98721	2.4
137.02371	3.1
139.00298	9.3
139.03917	1.6
140.01048	1.4
141.01869	1.9
142.42204	0.8
143.03658	0.7
143.04956	3.1
145.02882	2.1
146.03641	0.8
147.04462	2.4
147.09349	0.8
148.01582	2.9
148.98706	1.4
149.02373	5.1
149.99548	5.8
151.00310	27.3
152.01117	5.0
153.01912	4.1
154.04118	0.8
154.99776	2.5
155.04962	1.7
157.02882	1.2
158.03674	1.1
159.04437	6.3
161.02431	5.4
161.06078	1.1
163.00301	4.6
163.04015	1.8
164.01047	1.3
164.98267	3.3
165.01866	2.0
165.98978	1.9
166.99789	3.6
167.87994	0.8
168.00545	4.1
169.01443	4.6
169.02734	1.3
169.29491	0.9
171.04446	4.2
173.02434	2.4
173.04515	2.0
174.03130	2.5
174.48593	0.8
175.00349	1.6
175.03920	6.0
176.98221	1.3
177.01881	3.0
177.99074	7.0
178.99820	31.0
180.00232	2.8
181.01364	1.3
181.12267	1.6
181.98521	1.9
183.04468	1.4
185.02374	1.5
186.03189	1.2
187.03975	9.2
189.01912	5.4
189.05585	1.3
190.02580	2.0
190.99826	1.8
191.03412	3.4
191.05341	1.2
192.00580	2.0
193.01398	4.3
194.99287	3.5
197.00914	1.2
198.03323	1.1
199.03976	7.9
199.13348	3.1
200.04446	0.9
201.01958	4.4
202.02692	2.1
203.03485	13.2
204.04131	3.1
204.97731	2.3
205.01352	2.6
205.05022	2.4
206.02167	1.5
206.99353	5.4
207.02977	2.4
207.10188	4.7
208.00124	1.3
209.00880	5.9
213.01921	2.6
214.02626	2.7
215.03508	10.3
216.03917	1.5
217.01402	2.8
217.05017	1.3
218.02094	1.5
219.02930	2.6
222.98848	2.9
223.99576	1.4
225.02066	1.3
225.11314	7.0
226.02567	1.2
227.03470	5.1
229.01434	3.6
230.02113	3.0
231.03018	10.2
232.03705	6.6
233.00902	1.4
233.04514	8.7
235.02420	1.0
241.01367	3.0
242.02165	3.6
243.03009	17.5
243.12384	3.3
244.03412	1.7
245.00868	4.1
245.04617	3.8
247.02502	3.7
248.03139	1.1
249.03987	1.0
255.03079	4.4
257.00836	3.0
258.01733	3.6
259.02502	11.8
260.03186	2.2
261.04031	4.4
269.00931	2.9
270.01620	1.5
271.02533	44.1
272.02924	5.1
273.04044	2.1
275.02036	1.1
286.01175	5.1
287.02042	48.9
288.02664	10.7
289.03571	7.8
297.00449	8.9
299.02029	16.7
300.02734	11.0
301.03510	11.7
302.03952	1.7
303.01535	2.1
304.02188	2.3
313.03491	1.7
314.00693	3.9
315.01526	100.0
316.01913	11.6
317.02911	4.4
331.01108	1.1
332.01703	8.8
333.02603	7.4
335.79855	0.9
355.71552	0.8
463.08847	3.3
489.12518	1.2
501.12271	1.9
505.11896	3.3
517.12250	1.2
529.12219	1.8
541.15686	3.7
569.15149	3.1
579.13397	1.6
595.13312	2.7
597.14545	6.5
598.15179	1.6
603.19977	0.9
608.14191	2.3
609.14600	1.2
613.13855	2.8
623.12634	12.8
623.25391	3.6
624.12982	2.6
641.13660	44.1
641.26453	14.5
642.13910	9.9
642.26752	2.3
642.85962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.9
59.01264	5.3
61.98720	4.2
67.01781	1.2
69.03342	1.5
69.46158	2.3
69.46587	2.0
71.01263	5.5
72.90443	0.5
73.02830	1.4
75.00766	1.2
78.95795	1.6
81.03345	1.3
81.13546	0.5
83.01279	0.8
83.04929	1.1
85.02846	13.6
87.00775	3.1
89.02351	1.4
93.03361	14.1
94.03691	0.5
95.01313	0.6
96.95940	0.7
97.02895	0.9
98.19832	1.2
99.00800	1.2
99.04413	1.5
101.02346	1.4
108.02139	0.6
109.02859	4.8
111.04427	3.5
113.02376	2.2
119.03389	0.7
121.02874	24.7
122.03229	0.9
126.94401	0.5
127.03920	2.1
133.02856	0.5
137.02374	1.4
145.02948	0.5
153.01785	0.6
155.03409	3.5
161.02373	0.6
161.04521	1.9
163.31352	0.5
171.02940	0.5
173.04506	10.9
185.00853	0.9
191.05586	100.0
191.45990	0.6
192.05920	3.6
195.28809	0.5
201.47581	0.5
209.11935	0.8
243.08420	0.6
259.07748	3.3
260.08023	0.8
271.07669	2.1
283.07773	0.7
287.07260	1.6
299.07184	9.3
300.07336	0.8
311.07190	1.4
313.05087	1.1
333.09326	0.6
346.10159	0.9
347.10797	1.1
357.09268	1.2
359.11142	1.3
361.08578	0.9
362.09653	5.2
363.10068	1.5
365.11746	1.1
373.08997	1.0
374.09497	1.7
375.10315	9.2
376.10785	1.2
377.08173	1.3
377.12189	0.8
378.09073	1.4
389.08374	1.0
391.09799	0.8
393.11493	4.6
401.08145	2.1
402.09097	1.7
403.09821	34.3
404.10135	5.5
405.07675	2.0
406.08636	9.5
407.08640	1.5
419.09308	1.9
421.10892	73.7
422.11227	10.2
437.57584	0.6
438.27795	0.7
447.08832	18.6
448.08936	2.6
465.09891	25.6
466.10043	4.4
477.30844	5.6
639.15167	20.5
639.24756	1.3
640.15393	4.1
640.24365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82186	0.4
55.01762	0.6
57.03328	1.2
58.00490	0.7
59.01263	13.7
61.98721	2.8
67.01759	0.4
69.03345	3.3
69.53691	3.2
71.01270	12.2
71.04918	1.5
72.99200	1.2
73.02837	2.2
81.03363	0.7
83.01277	1.3
85.02840	3.3
87.00760	2.1
87.76979	0.4
89.02335	8.9
93.03378	0.6
95.01284	1.2
95.04940	0.4
96.95891	0.8
97.02858	2.0
97.06496	0.5
98.20580	0.7
99.00756	1.4
101.02352	8.4
102.02666	0.5
109.02893	0.4
111.00710	0.5
111.04399	0.7
113.02363	4.0
113.08870	0.4
119.03425	1.7
121.09138	0.4
123.08046	0.8
125.02359	2.1
125.09606	1.7
135.04437	0.5
137.09641	0.4
138.03197	0.5
142.33516	0.4
143.03426	0.5
151.11237	1.8
151.44400	0.4
153.12782	1.4
161.04466	1.1
161.09615	1.9
173.04517	1.9
175.02515	0.5
175.03951	0.6
178.99884	0.5
179.10675	4.6
185.04495	0.4
197.11812	52.3
198.12093	3.2
221.06691	0.9
223.09731	1.7
235.08224	0.4
241.10847	6.9
397.13562	1.3
415.14676	0.7
576.16254	0.6
639.25183	100.0
640.25629	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	639.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68626	0.4
57.03339	0.8
59.01258	4.4
60.99192	0.6
61.98719	2.6
65.03857	0.6
67.01776	4.7
67.16186	0.5
68.49109	0.4
69.03349	1.4
69.36600	0.7
69.36998	4.0
71.01269	4.9
73.02830	0.6
75.00790	0.9
78.95811	0.8
81.03353	1.5
83.01310	0.5
83.04936	1.2
85.02844	7.3
87.00743	2.1
87.86101	0.4
89.02327	1.0
90.09116	0.4
93.03358	28.0
94.03700	0.9
96.95911	0.9
97.02876	0.6
99.00798	0.6
99.04424	0.8
101.02355	1.2
101.64475	0.4
107.04968	0.4
108.02064	0.6
109.02877	2.8
111.00809	2.1
111.04428	4.9
113.02386	1.2
116.92731	0.9
119.03455	0.5
121.02870	8.0
123.08161	0.4
125.02372	0.8
127.03951	1.5
133.02934	0.7
134.03732	0.6
135.04425	1.1
137.02367	5.1
143.03471	0.5
145.02908	0.8
152.99544	0.5
155.03442	4.9
161.02342	0.6
161.04541	0.4
171.03017	0.4
173.04507	44.5
174.04875	1.9
185.00966	0.5
189.68201	0.4
191.05586	36.4
192.06010	1.3
209.11874	0.5
215.08675	0.6
219.08241	0.6
243.08119	2.3
258.06882	3.1
259.07681	16.9
260.08032	1.9
271.07700	1.3
282.06656	0.4
283.07770	0.6
287.07230	2.8
299.07230	4.1
300.07712	0.7
309.05756	0.6
319.11359	1.1
333.09430	0.4
345.09332	0.8
346.10135	1.2
347.10825	2.0
349.12387	0.6
350.09644	0.5
357.09341	1.2
358.09875	0.6
359.10889	0.9
361.08810	0.6
362.09494	1.3
363.06494	0.7
363.10413	1.0
364.07224	1.0
364.11115	1.5
365.11737	4.9
366.12375	0.6
373.08578	1.2
374.09506	2.2
375.10318	19.2
376.10785	2.6
377.07822	0.7
377.12039	1.9
378.08817	0.6
385.08780	0.9
386.09213	0.6
389.08234	0.5
391.05777	1.1
391.10452	2.0
392.06821	7.3
393.07245	1.3
393.11447	18.9
394.11758	3.0
401.07990	1.4
402.08954	1.3
403.09818	17.5
404.10031	2.6
406.08496	1.3
419.09274	5.8
420.09763	1.3
421.10904	100.0
422.11206	13.2
447.08868	7.7
448.09512	1.0
459.73862	0.5
465.09894	45.3
466.10199	6.3
466.38562	0.5
621.14392	0.8
639.15167	20.9
639.32324	0.9
640.15466	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	639.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04238	0.4
52.48701	0.3
57.03335	0.7
59.01263	2.7
60.99191	0.5
61.98716	10.0
67.01778	3.4
69.03338	1.0
70.32666	0.9
70.33026	0.7
71.01263	3.2
73.02821	0.6
75.00759	0.5
78.95796	0.5
81.03352	1.1
83.04919	1.0
83.05422	0.4
85.02845	5.1
87.00798	1.6
89.02344	0.6
93.03356	23.5
94.03687	0.6
96.95924	1.3
101.02353	0.7
108.02069	0.6
109.02856	6.3
110.03205	0.4
111.00776	1.0
111.04416	3.9
113.02368	0.8
119.22523	0.3
121.02872	29.6
122.03202	0.7
123.04435	0.3
127.03918	1.3
133.02876	0.4
135.04446	1.0
137.02376	4.1
151.73219	0.4
152.07097	0.4
155.03442	4.1
160.76260	0.3
161.02428	0.5
171.10173	0.3
173.04509	44.8
174.04886	1.3
175.03897	0.5
190.45918	0.3
191.05582	25.7
192.05966	1.1
218.52016	0.3
219.08119	0.4
243.08302	0.4
247.07666	0.7
253.09158	0.4
258.06842	1.1
259.07700	3.7
260.08154	0.5
263.07251	0.5
271.07657	1.9
282.06949	0.4
283.07642	0.7
287.07236	1.4
291.06567	2.0
298.06577	0.6
299.07196	11.4
300.07629	1.1
311.07199	2.1
313.05042	0.9
319.11227	0.7
328.24625	0.4
331.11487	0.4
333.09052	0.4
341.23550	0.5
342.23782	0.8
346.09814	0.4
347.10962	1.0
357.09338	0.9
358.09927	0.4
359.10867	1.6
361.08707	0.8
362.09482	4.8
363.10077	0.8
364.11108	0.7
365.11905	1.5
373.08875	0.8
374.09485	1.0
375.05588	0.4
375.10294	6.7
376.10843	1.4
377.07672	1.7
377.12454	1.6
378.08911	0.8
386.09738	0.6
389.08389	1.0
391.09503	0.4
392.10437	0.6
393.11407	6.0
394.11716	1.0
401.08264	1.8
402.08923	1.1
403.09821	22.6
404.10294	4.0
405.07675	2.9
406.08514	13.8
407.08783	1.8
419.09406	1.0
420.09875	0.7
421.10892	100.0
422.11227	16.2
422.16968	0.8
447.08792	5.1
448.09332	0.8
465.09833	15.2
466.10193	2.7
485.26721	0.4
595.21735	0.4
639.15179	9.8
640.15277	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	639.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91476	0.4
54.14970	0.4
57.03336	0.9
59.01265	3.4
61.98721	2.9
67.01772	3.8
69.03342	2.2
69.56097	3.3
71.01266	3.8
73.02844	0.8
75.00780	1.3
78.95785	0.9
81.03356	0.5
83.01318	0.7
83.04913	1.6
85.02845	7.2
87.00771	2.4
93.03360	26.5
94.03728	0.9
96.95930	0.8
99.04425	0.8
100.13515	0.5
101.02367	0.6
109.02873	2.5
111.00793	0.7
111.04420	4.6
113.02357	1.2
116.92760	1.5
121.02885	6.1
127.03935	2.5
133.02853	0.9
134.03676	1.1
135.04480	0.9
137.02383	5.1
155.03435	4.5
161.02341	0.9
173.04523	41.3
174.04836	1.7
177.01900	0.7
179.03452	0.5
185.00833	0.7
191.05588	33.7
192.05917	1.6
197.66393	0.5
209.11844	0.7
219.08289	0.7
243.08191	2.2
258.06955	3.4
259.05023	1.1
259.07678	16.0
260.08066	2.3
271.07751	1.3
283.07733	0.6
287.07239	2.8
299.07233	3.0
319.11371	1.4
333.09052	0.6
346.26846	0.5
347.10654	2.4
348.11420	0.5
357.09280	1.8
358.09616	0.7
361.08810	0.5
362.09659	0.9
364.07333	1.1
364.11215	1.6
365.11859	3.9
366.12213	0.6
373.08801	1.2
374.09470	1.9
375.10287	12.6
376.10739	2.2
377.07907	0.9
377.11920	1.2
385.08795	0.7
391.05725	0.8
391.09921	1.4
392.06760	6.9
393.11465	15.4
394.11578	3.0
401.08185	1.3
402.08975	1.2
403.09830	14.8
404.09927	2.3
406.08322	1.8
419.09314	4.9
420.09650	1.4
421.10904	100.0
422.11237	13.5
447.09024	3.7
448.09393	0.8
465.09888	43.9
466.10178	7.0
489.10309	0.8
639.15179	18.9
639.24109	1.1
639.32886	1.0
640.15747	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	639.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01266	2.7
61.98712	2.4
67.01779	3.5
69.03333	1.3
70.70618	1.0
71.01264	3.0
78.95770	0.4
81.03341	0.9
83.04910	0.7
85.02840	5.2
85.39692	0.4
87.00775	1.4
89.02354	0.4
90.36963	0.3
93.03357	23.1
94.03690	0.4
96.95916	0.6
99.04410	0.4
101.02360	0.5
101.42204	0.4
108.02062	0.4
109.02856	6.2
110.03204	0.4
111.00802	0.8
111.04427	3.5
112.04860	0.4
113.02338	0.8
121.02872	29.8
122.03212	0.8
127.03904	1.1
134.03641	0.7
135.04460	0.9
137.02364	4.0
142.84486	0.3
149.02365	0.4
155.03442	5.0
161.02364	0.6
173.04506	44.8
174.04837	1.8
191.05582	26.4
192.05981	0.8
209.11880	0.4
243.08080	0.9
258.06909	0.9
259.07620	4.0
260.08005	0.4
271.07693	2.8
283.07654	0.7
284.08600	0.4
285.05640	0.4
287.07208	1.8
294.06973	0.4
298.06509	0.5
299.07172	9.9
300.07666	1.1
311.07135	1.9
313.05066	1.0
333.09210	0.7
346.10037	0.5
347.10748	1.0
356.08502	0.4
357.09286	0.8
359.10852	1.1
360.11707	0.5
361.08652	1.0
362.09509	5.9
363.10016	0.6
365.12042	1.4
373.08508	0.4
374.09589	1.5
375.10400	7.4
376.10651	1.7
376.28140	0.8
377.08148	1.6
377.11945	1.0
378.08856	0.8
389.08167	0.6
391.09668	0.7
392.10867	0.4
393.11337	5.9
394.11755	0.8
401.08041	1.9
402.08884	1.5
403.09811	22.4
404.10193	4.3
405.07645	2.8
406.08484	13.3
407.09030	2.1
419.09280	0.5
421.10892	100.0
422.11237	14.7
429.07797	0.5
447.08817	5.9
448.09103	1.3
465.09860	15.2
466.10370	2.2
621.13788	0.5
639.15192	11.5
640.15314	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	639.1371
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.40669	0.6
54.48460	0.5
59.01268	6.0
61.98718	3.1
63.02276	0.7
65.00220	1.9
69.03350	3.0
69.57947	3.6
69.58363	1.3
73.02834	0.9
74.99015	0.8
78.95795	0.8
83.01286	2.4
83.04906	1.0
85.02850	1.4
89.02352	0.8
93.03360	2.6
96.95915	1.6
97.02847	1.5
99.00800	1.3
101.02374	2.0
102.64026	0.6
107.01291	3.3
108.02095	1.5
109.02876	2.7
111.04425	2.2
113.02365	1.0
116.92760	1.7
117.22352	0.7
118.97998	1.6
119.03432	1.1
121.02883	1.6
126.28684	0.7
131.47261	0.8
133.02890	1.2
134.03636	1.1
135.04475	1.1
137.02348	1.1
148.01633	1.1
151.00320	12.3
153.01933	0.8
155.03426	2.4
156.21884	0.8
160.01610	1.5
161.02437	3.1
161.04533	0.8
163.00325	2.4
164.01006	0.8
165.01883	0.8
168.89362	0.8
169.01357	1.2
171.10263	0.7
173.04494	4.9
175.03917	1.8
177.01964	0.7
178.99849	6.6
179.03352	0.9
179.05582	1.0
185.00899	2.5
187.03973	0.8
191.05591	2.0
192.00580	1.1
199.03990	1.2
211.03925	1.6
215.03490	1.1
217.06596	10.7
219.08165	0.7
221.06166	3.9
226.02777	1.0
227.03473	4.2
243.03017	12.9
245.06212	14.4
254.02269	2.5
255.03049	28.5
256.03442	3.0
257.20081	0.7
263.07312	0.7
271.02539	61.5
272.03021	8.0
277.08771	5.3
283.02539	1.7
286.79126	0.7
289.05133	83.1
290.05475	8.4
299.02109	3.5
300.02820	100.0
301.03540	48.0
302.03885	3.1
314.04550	1.0
315.05157	2.8
323.07791	1.2
373.26089	1.2
391.27173	0.7
453.14203	1.3
463.08945	41.5
464.09277	4.9
477.10434	2.7
547.11670	0.9
567.94849	0.7
607.14490	1.1
638.32269	0.8
639.13708	64.1
639.30627	1.6
640.14075	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	635.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.6
61.78238	0.7
61.98710	1.6
63.02729	0.8
63.54373	0.7
69.71671	3.1
69.72086	1.8
70.41962	0.7
96.64930	0.7
98.02284	0.9
98.19865	0.9
121.56400	0.9
173.04411	0.8
173.61858	0.7
182.03610	0.8
233.05936	1.4
258.06815	3.4
259.07709	4.1
261.05603	7.0
262.06311	3.7
272.04620	0.8
273.05591	2.9
274.06418	3.1
275.07330	1.7
285.05511	1.9
289.05051	4.3
290.05893	7.0
300.04282	3.2
301.05127	8.4
302.05930	3.2
303.06686	100.0
304.06998	10.3
317.04651	9.2
318.05389	38.6
318.09155	1.3
319.05771	3.9
333.07742	87.4
334.08075	10.0
635.13184	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	635.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55146	0.2
56.91039	0.2
59.01266	1.2
61.61139	0.2
61.98719	7.7
63.02286	0.5
65.00215	0.4
69.03335	0.6
69.64137	0.6
69.64571	0.8
70.78555	0.2
73.02828	0.4
75.00770	0.3
83.01286	0.6
85.02829	0.6
87.00786	0.3
89.02347	0.3
93.03363	0.9
95.01278	0.2
96.95918	0.4
97.02868	0.2
97.91297	0.2
98.19898	0.4
99.00771	0.4
101.02319	0.6
107.01300	1.4
108.02073	0.3
113.02341	0.4
116.68999	0.2
117.03402	0.4
120.02174	0.2
125.02367	0.2
132.02104	1.1
135.00809	1.2
137.02368	0.3
139.00258	0.2
143.04918	0.2
145.02904	1.2
146.03215	0.5
149.02422	0.2
151.00320	2.3
152.01004	0.2
161.04587	0.2
163.00357	1.0
164.01083	0.6
169.01337	0.6
171.04504	0.3
173.04504	0.9
173.05960	0.4
175.03914	0.2
178.99832	1.3
183.04485	1.2
185.00887	0.5
185.02432	0.5
185.06091	0.3
187.04008	0.8
191.05598	0.5
195.04990	0.9
196.05219	0.3
199.03860	0.4
200.04756	0.6
209.00874	0.2
211.04008	2.2
213.01917	0.3
213.05408	0.2
227.03502	45.8
228.03889	3.0
229.05028	1.3
239.03569	0.9
240.04147	0.3
241.04993	0.2
255.03026	83.3
256.03516	10.1
257.04504	1.3
267.03131	0.2
283.02429	1.6
284.03320	100.0
285.03894	15.8
285.08630	0.3
286.04388	0.9
324.16641	0.2
327.05133	0.5
471.09528	1.1
473.10910	0.5
489.10632	0.3
497.20377	0.4
560.57477	0.2
572.17157	0.4
635.16302	65.0
636.16602	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	635.2525
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
56.34650	1.2
57.68168	1.0
69.43971	9.6
78.95802	14.1
98.20525	1.8
105.68996	1.3
108.21093	1.1
152.99518	8.6
171.10199	9.1
177.01790	1.1
177.51579	1.3
229.98421	1.0
236.10422	1.3
253.21764	1.6
255.23305	9.5
325.50443	1.1
379.11414	1.7
391.22812	2.4
399.14426	3.2
419.18652	1.7
430.14203	1.7
431.19058	3.5
433.20563	1.9
444.16324	1.5
445.16663	2.5
458.17654	3.7
473.20703	3.3
474.16537	6.7
475.17740	4.0
488.18710	8.0
489.19522	4.4
490.20181	6.6
501.19241	1.8
505.22403	6.1
516.18378	2.0
529.18707	1.8
548.20282	1.4
549.21619	4.7
560.20636	1.8
575.23175	17.6
576.23669	11.3
577.24359	2.0
617.34717	1.8
635.25348	100.0
635.35681	9.5
636.25616	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	633.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88019	0.6
54.52098	0.7
54.55181	0.7
55.01770	1.1
57.03329	3.1
58.00473	1.7
59.01266	23.5
60.04161	0.6
61.98706	2.3
69.03334	7.9
70.54835	0.7
71.01269	29.0
71.04903	5.1
71.57439	0.8
71.57848	0.7
72.84431	0.6
72.99200	1.4
73.02843	6.8
73.14738	0.8
73.76416	0.6
75.00747	1.1
78.33018	0.7
78.63545	0.6
78.95784	1.6
79.95572	0.6
81.03344	1.5
83.01274	2.1
83.04923	1.4
85.02843	7.2
87.00773	3.0
89.01829	1.0
89.02341	13.5
91.87529	0.7
93.03352	2.1
95.01273	2.6
95.04929	0.6
96.95928	1.2
97.02870	3.8
97.06480	2.7
99.00778	7.8
101.02347	17.3
106.34768	0.7
107.04942	1.5
109.06487	0.9
113.01726	0.8
113.02363	8.0
117.03373	2.7
119.03474	4.5
119.04955	8.4
121.10172	3.5
123.00779	0.7
123.08041	1.2
124.01581	1.1
125.02367	5.4
125.09644	3.1
127.11234	0.7
129.01849	0.9
133.02777	0.9
133.10112	0.7
134.03622	0.8
135.04376	0.8
137.02316	1.1
137.09651	7.3
140.32269	0.7
141.01852	2.6
142.02646	0.9
143.03381	2.0
145.02872	5.0
149.04448	0.8
151.00294	0.9
151.11221	1.3
161.02409	1.5
161.04463	1.5
161.09674	1.7
163.03958	5.4
163.11186	1.4
171.10223	45.6
172.10590	2.0
173.04553	4.7
175.03993	1.0
177.05531	0.8
177.09207	0.8
179.05569	1.8
179.10748	6.0
185.00885	6.7
185.11806	3.7
191.05588	3.8
191.10706	2.2
197.11737	1.0
198.81306	0.7
201.11351	2.8
207.10254	2.3
209.11835	2.1
219.13907	0.9
225.11325	4.0
235.08345	0.9
251.16515	5.4
253.09435	1.2
267.19589	0.8
271.20636	1.0
275.20303	4.7
291.19717	20.4
292.19980	1.8
293.21265	3.0
309.20767	23.6
309.24301	1.5
310.21100	1.5
315.19699	2.8
333.20642	4.1
345.20697	1.8
351.21832	6.3
352.21796	0.7
363.21664	1.9
381.22913	10.5
382.23080	1.4
385.18808	1.7
411.23923	8.9
435.24014	1.6
441.12271	0.9
443.19354	6.8
447.25916	1.6
453.18637	1.1
453.24835	5.3
461.20721	0.8
471.26129	17.8
472.26410	2.3
524.18158	1.5
547.22156	1.1
589.23053	12.0
590.23615	2.1
615.30963	1.0
633.31458	100.0
634.21844	0.6
634.31726	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88019	0.6
54.52098	0.7
54.55181	0.7
55.01770	1.1
57.03329	3.1
58.00473	1.7
59.01266	23.5
60.04161	0.6
61.98706	2.3
69.03334	7.9
70.54835	0.7
71.01269	29.0
71.04903	5.1
71.57439	0.8
71.57848	0.7
72.84431	0.6
72.99200	1.4
73.02843	6.8
73.14738	0.8
73.76416	0.6
75.00747	1.1
78.33018	0.7
78.63545	0.6
78.95784	1.6
79.95572	0.6
81.03344	1.5
83.01274	2.1
83.04923	1.4
85.02843	7.2
87.00773	3.0
89.01829	1.0
89.02341	13.5
91.87529	0.7
93.03352	2.1
95.01273	2.6
95.04929	0.6
96.95928	1.2
97.02870	3.8
97.06480	2.7
99.00778	7.8
101.02347	17.3
106.34768	0.7
107.04942	1.5
109.06487	0.9
113.01726	0.8
113.02363	8.0
117.03373	2.7
119.03474	4.5
119.04955	8.4
121.10172	3.5
123.00779	0.7
123.08041	1.2
124.01581	1.1
125.02367	5.4
125.09644	3.1
127.11234	0.7
129.01849	0.9
133.02777	0.9
133.10112	0.7
134.03622	0.8
135.04376	0.8
137.02316	1.1
137.09651	7.3
140.32269	0.7
141.01852	2.6
142.02646	0.9
143.03381	2.0
145.02872	5.0
149.04448	0.8
151.00294	0.9
151.11221	1.3
161.02409	1.5
161.04463	1.5
161.09674	1.7
163.03958	5.4
163.11186	1.4
171.10223	45.6
172.10590	2.0
173.04553	4.7
175.03993	1.0
177.05531	0.8
177.09207	0.8
179.05569	1.8
179.10748	6.0
185.00885	6.7
185.11806	3.7
191.05588	3.8
191.10706	2.2
197.11737	1.0
198.81306	0.7
201.11351	2.8
207.10254	2.3
209.11835	2.1
219.13907	0.9
225.11325	4.0
235.08345	0.9
251.16515	5.4
253.09435	1.2
267.19589	0.8
271.20636	1.0
275.20303	4.7
291.19717	20.4
292.19980	1.8
293.21265	3.0
309.20767	23.6
309.24301	1.5
310.21100	1.5
315.19699	2.8
333.20642	4.1
345.20697	1.8
351.21832	6.3
352.21796	0.7
363.21664	1.9
381.22913	10.5
382.23080	1.4
385.18808	1.7
411.23923	8.9
435.24014	1.6
441.12271	0.9
443.19354	6.8
447.25916	1.6
453.18637	1.1
453.24835	5.3
461.20721	0.8
471.26129	17.8
472.26410	2.3
524.18158	1.5
547.22156	1.1
589.23053	12.0
590.23615	2.1
615.30963	1.0
633.31458	100.0
634.21844	0.6
634.31726	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	631.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
58.00475	0.4
59.01263	13.4
61.98714	0.3
69.03320	0.2
70.68138	0.2
71.01270	10.5
71.57346	0.3
72.99177	0.9
73.02824	0.3
83.01270	0.6
85.02838	1.3
87.00772	0.8
89.02336	11.4
90.17213	0.2
90.58102	0.2
93.03347	0.6
95.01271	0.6
96.95937	1.1
101.02344	4.4
113.02354	3.5
119.03412	3.4
125.02381	0.2
131.03404	0.5
135.04471	0.5
143.03433	0.8
149.04509	0.3
161.02415	0.5
161.04501	1.3
173.04501	1.1
179.05565	5.5
189.07117	0.4
191.05518	0.4
217.06578	20.0
218.06909	1.5
245.06107	21.4
246.06444	1.7
289.05121	100.0
290.05472	8.3
341.10938	19.8
342.11450	1.0
374.80649	0.2
513.78870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12659	0.4
55.01761	0.8
57.03326	0.4
58.00474	0.5
59.01265	34.5
61.98705	1.3
69.03345	1.6
70.33023	1.4
71.01269	23.2
71.43057	0.3
72.01583	0.4
72.99188	1.2
73.02834	36.6
74.03167	0.6
75.00765	0.6
83.01270	8.5
85.02824	2.1
87.00780	0.9
89.02332	4.0
93.03346	0.9
95.01286	0.7
96.95907	2.1
97.02843	0.9
99.00772	0.7
101.02342	21.7
102.02718	0.5
113.02348	4.9
117.03400	0.6
119.03403	0.9
119.04916	0.8
121.83495	0.4
125.02354	1.0
131.03442	1.7
143.03424	1.4
145.02904	1.8
149.04495	0.8
155.03421	1.0
161.04495	2.5
163.03938	1.5
173.04562	1.7
179.05605	0.4
185.00943	0.4
191.05664	0.9
193.75493	0.4
221.06688	0.5
257.26636	0.4
385.18683	1.4
427.19791	100.0
428.20129	11.8
439.12540	0.3
459.08884	0.4
598.28101	0.4
633.22577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23300	0.2
59.01286	0.2
71.01273	0.3
71.59747	0.3
74.19252	0.2
74.44845	0.2
78.95795	8.7
79.95624	2.8
85.36559	0.2
88.05106	0.2
91.40668	0.2
95.04971	0.3
96.95915	100.0
96.96825	13.2
97.95853	0.3
98.02373	0.5
116.85121	0.2
118.96537	0.4
120.27522	0.2
129.08115	0.2
144.98096	0.2
167.03282	0.2
208.10716	0.2
245.26466	0.2
250.19704	0.2
253.09357	0.9
270.00681	0.3
291.04086	1.3
293.21289	2.1
294.21512	0.2
302.49237	0.2
335.03021	0.3
337.93390	0.2
351.06180	1.6
354.10117	1.0
391.18073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78909	0.2
59.01266	0.5
61.98704	0.4
68.94540	0.2
69.03353	0.3
71.59796	0.4
78.95793	6.2
79.95625	2.6
92.10712	0.2
93.03339	0.3
95.04890	0.3
96.95911	100.0
96.96819	9.1
97.95849	0.4
98.89611	0.3
173.04597	0.3
253.09360	0.5
275.90268	0.2
291.04092	0.6
293.21304	1.0
335.03110	0.4
351.06146	0.8
354.10004	0.4
409.82718	0.3
534.44128	0.3
628.64862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.2
57.03336	0.3
59.01264	6.2
61.98715	0.8
69.03347	0.6
71.01270	2.1
71.57510	0.2
71.57940	0.2
72.99191	0.2
73.02827	1.0
73.96915	0.2
78.95781	0.3
79.95662	0.2
83.01288	1.1
85.02821	0.9
87.00767	1.2
89.02328	1.2
89.03871	0.3
93.03359	0.7
95.01291	0.3
95.04926	0.4
96.90898	0.2
96.95914	2.0
97.02845	0.4
99.00767	0.2
101.02322	1.8
105.03366	0.8
107.04931	0.4
108.02083	0.2
109.02869	0.4
111.00788	0.3
111.25386	0.2
113.02354	1.7
115.01714	0.4
117.03384	1.8
119.03408	0.4
121.02887	0.3
123.04420	1.0
125.02412	0.4
132.02097	2.7
133.02881	38.4
134.03125	1.8
135.04445	7.2
136.04688	0.3
137.02365	0.3
140.46317	0.2
143.03523	0.4
145.02866	0.3
147.04466	0.3
149.02324	0.3
151.00366	0.2
151.03975	0.4
160.01622	0.4
161.02385	100.0
162.02718	4.5
173.04494	1.0
175.03964	0.2
179.03455	5.1
180.03807	0.2
185.00874	0.2
189.05441	0.3
191.05574	0.8
203.03542	0.3
233.04451	0.4
251.05592	0.2
267.10214	0.2
300.02780	0.4
323.07452	1.5
341.11008	0.7
365.09375	0.2
383.11975	0.8
407.11932	0.2
425.13013	0.8
429.17599	0.4
545.15173	0.4
569.15149	0.5
587.16284	4.8
588.16809	0.8
629.17352	22.4
630.17603	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	629.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.2
59.01268	5.9
61.98721	0.3
69.03343	0.6
71.01276	1.7
71.07297	0.2
71.07641	0.3
72.99191	0.3
73.02830	0.8
75.00777	0.2
77.03848	0.2
78.95776	0.4
83.01278	0.8
85.02853	0.7
87.00787	1.1
88.98710	0.4
89.02354	0.7
89.03857	0.2
93.03372	0.4
95.01273	0.3
96.95934	0.6
97.02868	0.2
97.48266	0.1
101.02342	1.9
105.03409	0.3
109.02846	0.3
113.02371	1.3
115.01781	0.2
117.03396	0.7
119.03426	0.3
119.04877	0.2
121.02872	0.2
123.04433	0.4
125.02336	0.3
132.02071	2.1
133.02885	33.4
134.03168	1.7
135.04456	6.3
136.04799	0.5
137.02338	0.3
143.03410	0.2
145.02885	0.3
147.04413	0.2
155.03468	0.2
160.01616	0.2
161.02393	100.0
162.01363	0.2
162.02727	4.7
173.04495	0.8
173.05980	0.2
177.01862	0.2
179.03468	4.4
179.05244	0.3
180.03783	0.2
185.00830	0.2
189.05576	0.2
191.05641	0.6
223.13329	0.3
233.04701	0.2
267.12479	0.5
323.07605	1.7
341.11072	0.8
355.51855	0.2
383.12045	0.8
425.13135	0.6
429.17691	0.7
545.15582	0.4
569.15112	0.5
587.16302	5.3
588.16583	0.9
629.17346	22.4
630.17706	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	627.2113
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.20957	0.2
58.36860	0.2
59.02970	0.3
71.59212	0.4
72.74210	0.3
73.02905	1.0
125.77864	0.2
173.75093	0.3
227.60507	0.3
242.67476	0.3
275.13980	0.3
378.57608	0.3
437.12616	0.8
438.13446	1.2
450.13620	0.7
451.14160	1.4
452.15070	4.0
453.15253	0.6
465.15775	0.9
466.16928	0.6
469.11334	0.5
479.17963	0.3
480.13754	0.5
481.15048	8.2
482.15387	1.8
484.13742	0.4
493.15378	1.5
494.15994	0.8
495.16873	17.7
496.17157	3.6
498.15460	0.4
507.16943	0.9
508.18094	2.6
509.18716	1.7
512.13965	1.2
518.16119	0.5
521.14935	0.6
522.15198	0.5
523.16736	0.8
523.19458	0.9
524.19098	0.3
526.14978	0.8
533.18451	0.7
534.19122	0.3
535.16595	2.3
536.16968	2.7
537.17615	0.8
539.15973	0.4
540.17157	3.5
541.16022	0.4
550.15082	0.3
551.19519	39.8
552.19775	9.5
554.17963	1.2
555.19104	1.4
556.19836	0.5
567.19128	0.4
568.16541	0.9
572.15778	2.8
573.15961	1.1
583.22015	0.4
586.17255	2.6
587.17230	0.4
595.18414	7.9
596.18640	1.5
626.27625	0.3
627.21075	100.0
628.21362	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
61.45424	0.3
61.98694	0.4
63.02271	0.9
65.00211	3.2
70.71584	0.3
71.01256	0.6
71.09338	0.7
83.01273	1.8
85.02831	0.6
92.74660	0.3
93.03335	0.8
96.95903	0.3
101.02383	0.6
107.01298	6.1
108.02066	0.5
109.02846	1.3
113.02322	0.5
121.02864	5.2
125.02370	0.8
148.01581	0.7
149.02380	0.7
151.00308	26.7
152.00706	1.1
153.01842	0.4
161.02251	0.3
163.00351	1.8
163.03906	0.5
164.01103	0.6
166.02090	0.3
169.01370	1.9
173.04552	0.8
178.99821	12.6
180.00195	0.5
183.04521	0.4
187.04025	0.5
191.05592	0.6
191.18443	0.3
199.03975	0.5
201.05510	0.4
209.11853	0.6
211.03902	0.9
226.02721	0.6
227.03508	2.3
227.12898	0.4
229.05075	1.0
243.03026	4.8
244.03481	0.4
245.04572	1.2
254.02200	1.4
255.03032	18.1
256.03455	1.3
257.04669	0.4
258.04993	0.4
264.03470	0.3
271.02536	37.0
272.02966	3.8
273.03958	1.6
276.94299	0.3
283.02429	0.5
297.03790	0.4
299.02032	6.4
300.02808	75.1
301.03561	98.2
302.03925	7.5
397.13776	0.4
415.14337	0.3
429.89920	0.4
463.08926	100.0
464.09192	11.2
625.14191	5.0
626.14740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01244	2.8
61.08285	0.6
65.00201	1.9
69.03330	1.0
69.51564	4.0
69.51978	1.7
71.01263	1.4
75.34236	0.7
83.01264	1.1
93.03368	1.4
95.01292	1.7
101.02335	1.5
107.01270	2.4
109.02866	3.6
110.00016	5.1
111.00801	3.0
123.00771	2.6
124.01567	2.5
125.02367	2.5
125.99536	0.7
133.02895	0.9
136.98698	1.6
137.02386	1.2
137.99507	3.2
139.00288	7.5
148.01624	1.1
149.02353	2.1
151.00311	13.1
152.01089	5.6
153.01834	1.9
157.02786	0.8
159.04491	1.8
161.02370	2.0
163.00304	3.5
164.01089	2.4
164.04630	0.8
165.01917	1.4
165.99049	6.3
166.99792	3.2
169.01337	0.9
171.04475	1.5
173.02396	0.7
173.04480	2.0
174.03162	1.2
174.21696	0.7
175.03934	1.4
178.99835	12.6
180.00298	1.0
183.04446	1.5
184.34181	0.7
185.02394	1.3
187.03955	2.0
189.01871	1.9
190.99857	1.2
191.03537	0.9
191.05544	1.2
193.05035	0.7
194.99239	1.2
198.03093	1.5
199.03970	4.6
201.01883	1.8
201.05608	1.5
202.02686	1.2
203.03465	2.0
206.99304	2.3
208.00093	0.9
209.11896	0.9
211.04060	1.0
213.01877	1.4
214.02646	3.2
215.03503	4.4
216.04140	1.3
217.05037	1.2
218.02139	0.9
219.03027	0.9
226.02655	1.2
227.03539	6.3
229.01370	1.4
230.01930	0.9
231.03006	3.2
232.03784	1.2
241.01404	1.9
242.02255	5.0
243.03004	8.7
243.94121	0.8
244.03589	1.6
245.00914	1.1
245.04463	2.2
254.02229	1.1
255.00604	1.0
255.03059	9.6
256.03561	1.3
259.02530	5.1
260.03174	1.7
270.01761	7.1
271.02530	44.1
272.03168	8.8
273.04068	4.4
287.02054	14.2
288.02753	9.1
289.03641	0.9
296.25021	0.9
298.01138	2.1
299.02029	48.4
300.02536	7.2
301.03525	2.9
315.01474	3.0
315.04776	0.9
316.02280	63.0
317.03030	33.3
318.03333	2.2
341.03186	0.8
463.08911	1.3
489.12576	1.4
517.12244	1.1
581.15076	2.4
607.13214	5.0
625.14197	100.0
626.14447	15.1
628.48352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05772	0.1
54.78289	0.1
59.01265	1.7
61.98718	100.0
62.98420	0.2
69.03342	0.2
71.01289	0.7
71.58987	0.2
74.02383	0.1
78.95806	0.4
83.01304	0.2
85.02869	0.3
89.02360	0.4
93.03382	0.2
94.22505	0.1
96.95887	0.2
97.02855	0.2
101.02362	0.4
109.02884	0.2
113.02385	0.3
116.92787	0.2
119.73663	0.1
122.06058	0.2
125.02382	0.3
133.02905	0.2
134.03676	0.2
135.04485	0.2
137.02330	0.1
144.99802	0.1
150.60150	0.1
161.02448	0.3
171.10239	0.1
173.04555	0.7
191.05603	0.3
207.24457	0.1
209.11922	0.2
495.57278	0.1
503.32623	0.3
504.33002	0.7
520.32806	0.2
521.34149	0.1
595.79663	0.1
624.25580	0.2
625.26508	0.5
645.69336	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05792	0.1
56.86779	0.1
57.03344	1.2
58.00471	0.4
59.01262	2.5
61.98708	1.2
69.03339	0.4
69.94683	0.7
71.01274	1.3
71.04880	0.2
72.99198	0.2
73.02846	1.0
74.02351	0.5
81.03356	0.2
81.59338	0.1
83.01280	0.3
85.02850	0.6
87.00764	0.2
87.04408	1.1
88.98686	0.4
89.02342	0.5
91.48956	0.1
93.03352	0.3
96.95917	0.3
97.06501	0.4
101.02348	0.9
109.06489	0.6
111.08073	0.2
113.02361	0.4
113.09640	0.3
119.03370	0.2
123.08081	0.9
125.02351	0.2
125.09668	0.2
129.09186	0.2
135.04424	0.2
135.08099	0.5
138.06815	0.2
139.07654	0.1
139.11223	0.5
141.09143	0.3
141.12778	0.6
151.11241	0.2
152.07092	0.2
153.09134	0.6
157.12268	1.3
160.01532	0.2
161.02286	0.2
169.12308	1.3
171.13805	0.2
171.18845	0.1
173.04507	0.6
173.05836	0.1
181.12305	0.2
185.11803	2.1
187.13258	0.3
191.05589	0.4
193.05023	0.2
203.05737	0.2
203.12752	0.2
207.10257	0.5
209.11786	0.1
214.12085	0.2
215.12907	1.1
216.13315	0.1
217.14473	0.3
225.11292	0.6
228.13680	0.2
253.09439	0.3
257.18094	0.1
263.07379	0.1
267.10956	0.2
293.21094	0.2
301.16635	0.2
311.22336	0.6
312.89795	0.1
313.15527	0.1
325.20587	0.2
327.21780	0.5
327.25504	0.5
329.23352	1.7
330.23407	0.2
339.25537	0.5
343.24991	0.2
354.67984	0.1
357.26553	4.9
357.30936	0.2
358.27023	0.6
373.26019	2.0
374.26389	0.3
375.27582	100.0
376.27924	12.0
387.27441	0.2
389.29236	1.5
417.28592	2.0
418.28952	0.3
459.29623	0.4
473.26657	0.1
479.26859	0.2
503.32739	0.2
623.25403	0.4
624.32355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1632
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.30058	0.4
59.01265	0.7
63.02277	0.5
65.00227	0.9
71.35616	0.5
71.35977	0.9
91.33254	0.4
95.73674	0.4
107.01325	1.5
135.00824	0.5
137.02403	0.5
145.02898	0.7
148.01601	0.5
151.00310	5.2
159.04387	0.6
163.00328	1.0
164.01093	0.6
165.01877	1.3
171.04486	0.5
179.03563	0.5
180.04266	1.1
183.04478	1.0
187.03911	0.7
189.01923	0.7
195.06587	1.9
199.04005	4.4
201.02010	1.0
204.04243	0.7
211.04054	1.1
215.03453	3.1
225.11288	0.6
226.02821	1.3
227.03499	7.4
242.02283	3.2
243.03015	28.9
244.03519	2.6
254.02242	1.7
255.03011	20.0
256.03458	1.7
257.04550	3.5
259.06146	1.2
270.01791	4.2
271.02527	52.0
272.03116	7.0
285.04065	7.1
286.04715	2.5
287.02689	0.6
287.05527	2.7
299.02036	47.4
300.02780	44.5
301.03137	4.1
314.04413	36.9
315.05170	100.0
316.05499	8.0
357.06329	0.7
386.95975	0.5
405.17178	0.5
449.25381	0.5
461.81979	0.5
623.16278	94.5
624.16656	15.4
624.26971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.7
59.01263	3.4
59.64163	0.4
63.02265	0.5
65.00229	0.9
70.91431	1.2
71.01273	2.2
72.99173	0.7
73.02823	0.7
75.67638	0.4
83.01276	1.4
85.02859	1.2
89.02356	1.1
93.03374	0.6
95.01283	0.8
96.95921	1.0
97.02859	0.6
97.69728	0.5
101.02365	1.6
107.01311	2.0
109.06480	0.9
113.02264	0.7
127.43028	0.5
133.02896	0.8
135.00761	0.6
145.02856	1.5
151.00316	5.2
153.01787	0.6
155.04964	0.8
161.02437	2.8
163.11214	1.2
164.01141	0.7
169.01373	0.7
171.04425	1.5
173.04485	1.6
175.03920	1.0
178.99832	2.2
179.03458	1.2
183.04497	2.2
187.03984	1.3
191.05586	1.0
199.03986	7.2
201.01904	1.1
203.03513	1.4
205.08681	0.7
207.10258	2.2
211.04044	0.6
215.03514	3.6
225.11307	5.7
226.02718	0.9
227.03481	7.3
228.03773	0.8
231.03009	0.5
242.02243	6.5
243.03011	38.7
244.03320	2.9
254.02196	0.6
255.03015	11.9
256.03506	1.2
257.04581	6.6
258.04916	0.7
270.01746	6.6
271.02536	46.1
272.02890	3.9
283.02570	0.6
285.04132	14.9
286.04721	4.1
287.02316	0.6
287.05496	1.2
298.01477	0.6
298.08142	0.5
299.02029	71.9
300.02692	13.2
301.03198	1.1
313.03668	1.5
314.04388	84.8
315.01666	0.9
315.05017	23.2
316.05457	0.9
357.06277	0.7
396.97641	0.5
397.13574	0.8
415.14740	1.2
459.09436	0.8
461.14651	1.2
623.16278	100.0
624.16541	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	623.3084
Annotation	5-Acetoxy-11,13-epoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
57.03325	1.4
58.00473	1.1
59.01262	17.1
61.98716	10.3
63.11814	0.6
68.99709	1.0
69.03331	2.8
71.01275	12.6
71.58749	1.0
72.26749	0.6
72.99189	1.5
73.02813	1.7
75.00764	1.2
78.81566	0.7
78.95777	2.2
83.01266	1.3
85.02837	3.9
88.98720	0.9
89.02333	7.8
93.03365	0.8
95.01287	0.8
96.95914	3.8
99.00783	3.2
99.04369	0.7
100.81007	1.0
101.02346	7.0
113.02349	4.7
119.03403	3.0
125.02367	0.6
134.03615	1.1
135.04437	1.5
146.03645	5.5
147.04492	1.1
158.03654	2.4
159.04462	8.4
160.05170	2.1
161.06000	1.1
171.10226	1.6
172.05272	1.6
173.04520	2.4
173.06036	8.0
174.06808	23.8
175.03937	1.5
175.07542	1.4
185.00853	2.4
185.06032	1.7
191.05556	1.1
201.05452	1.0
201.11212	1.4
202.13725	0.7
207.10132	1.3
213.11238	1.7
215.11032	1.1
215.12869	5.2
221.06024	1.2
222.06477	1.2
227.10786	2.5
231.06595	2.4
243.13948	4.4
277.08969	4.0
277.11703	0.8
278.09036	4.2
289.05261	1.0
309.20544	1.3
317.08197	2.0
327.21851	1.2
341.14029	0.9
359.15121	4.0
374.17383	10.2
375.18033	1.0
376.96072	0.7
425.23489	1.5
443.24307	2.0
444.24997	0.9
523.34949	3.6
554.23590	1.2
605.29456	1.0
623.30896	100.0
624.31238	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	621.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
65.47809	1.9
69.03323	3.8
69.72163	2.2
71.01268	43.7
71.57880	3.2
71.58308	2.6
72.99174	2.9
73.02819	5.3
83.01292	3.6
85.02824	13.5
87.00774	4.0
89.02343	41.6
95.01270	3.8
96.95892	2.2
101.02343	25.3
113.02354	25.3
119.03403	18.8
123.90413	2.5
125.02369	2.2
131.03323	2.7
136.24057	2.7
143.03389	5.1
149.04585	2.7
151.00302	3.2
161.04485	5.9
173.04445	5.4
174.92993	2.4
178.99866	3.6
179.05576	10.7
179.26593	2.2
264.91949	2.2
271.02521	4.7
299.02063	5.3
299.41306	2.3
300.02618	2.7
303.14130	2.8
315.01682	4.6
368.45853	2.2
423.99194	2.5
463.08606	2.6
479.07825	4.1
512.49982	2.8
517.26691	49.4
518.26959	8.0
535.27759	34.6
536.28644	3.1
577.28900	13.5
578.28650	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53492	0.2
57.03337	0.8
58.00481	0.3
59.01266	2.4
59.64070	0.2
61.98716	0.5
68.96744	0.2
69.03339	0.6
69.76112	1.1
71.01265	1.0
71.04898	0.3
73.02836	0.8
83.01232	0.2
83.04953	0.2
85.02856	0.3
89.02339	0.6
97.02885	0.2
97.06487	0.9
98.19888	0.4
99.00822	0.2
101.02354	0.8
106.22026	0.2
111.08069	0.4
111.83493	0.2
113.02350	0.7
113.09601	0.5
121.10115	0.3
123.08091	1.4
125.09686	0.3
137.09619	0.2
139.11217	1.4
141.09201	0.5
141.12740	0.4
155.10710	0.2
157.12282	0.6
169.12283	0.6
171.10277	0.2
179.05571	0.3
181.12238	0.3
185.00885	0.3
185.11809	6.5
186.12064	0.4
187.13516	0.3
190.13815	0.2
199.13428	0.3
214.12097	0.7
215.12865	2.0
229.14478	0.3
237.15002	0.3
253.50552	0.2
267.19589	0.4
271.19019	0.3
298.49426	0.3
325.20227	0.3
325.23831	0.4
327.21860	0.4
337.23901	0.3
343.24960	1.7
344.25476	0.3
355.24994	3.7
356.25354	0.3
371.24487	0.7
372.24838	0.3
373.26028	100.0
374.21597	0.5
374.26364	9.6
387.27563	1.3
415.27072	2.2
457.28323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.7
57.30867	0.8
59.01251	2.3
59.33190	0.8
60.99172	1.0
61.98715	1.5
69.03340	2.7
70.12209	4.5
83.04900	1.0
87.00758	5.6
88.00268	1.1
88.98701	7.8
89.02319	1.5
93.03371	1.2
94.73701	0.8
97.02852	11.7
97.06506	2.3
106.29166	0.9
111.08012	1.0
119.08578	1.3
123.08037	1.1
125.09630	2.1
137.09619	2.9
163.11235	2.1
165.12773	6.5
171.10229	10.2
174.06587	1.0
179.14351	1.1
181.12231	1.9
183.13876	1.6
184.14589	1.0
191.14285	1.3
193.12352	3.1
193.15976	1.0
196.18732	0.9
209.11794	3.2
211.13318	2.1
223.13461	1.0
227.12894	3.4
247.20714	3.8
248.20950	1.1
272.04837	1.4
273.18600	3.0
291.19714	42.8
292.19995	3.6
300.04211	1.2
309.20782	100.0
310.21164	9.8
323.22382	2.2
619.14258	3.0
627.55713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89882	0.3
51.52556	0.3
51.57038	0.3
57.03329	0.4
57.93220	0.4
58.00485	0.4
59.01265	4.9
61.98713	1.8
64.72481	0.3
69.03339	0.9
71.01279	2.8
71.04809	0.9
72.99194	0.4
73.02827	1.3
76.31896	0.3
83.01283	0.5
83.04910	0.4
85.02840	1.4
85.48621	0.3
87.04407	0.5
88.98673	0.4
89.02331	1.1
93.03355	4.2
95.01319	0.4
95.04921	0.4
96.95913	1.1
97.06487	1.3
101.02370	2.6
113.02345	1.6
117.03386	3.0
119.04964	2.0
119.53697	0.3
123.08069	0.5
125.09663	1.0
134.03674	0.7
135.04468	0.5
136.01559	0.5
137.02371	7.2
137.09666	0.6
139.11209	2.0
145.02890	6.3
146.03233	0.4
155.10809	0.4
157.12279	0.9
161.04410	0.4
163.03943	3.3
167.03514	0.4
168.49858	0.3
169.12302	0.6
171.10222	1.6
172.10628	0.4
173.04518	1.2
175.03970	0.4
179.03435	0.6
185.00914	0.7
185.11794	9.5
191.05553	0.7
193.04982	0.5
209.11801	0.4
213.11261	1.0
214.12102	2.5
215.12880	0.9
219.08275	0.6
228.13612	0.4
230.07463	0.5
231.08174	0.7
235.07700	1.1
241.14369	0.5
243.16031	1.8
247.07777	2.6
249.09204	3.5
250.09483	0.4
255.16026	0.4
258.06931	0.8
261.05685	0.4
263.07190	1.3
275.07208	7.6
276.07599	1.2
281.06747	9.4
282.07065	0.7
311.22162	0.4
328.91754	0.3
335.22476	0.4
341.23413	5.7
353.23395	5.0
354.23721	0.7
369.22934	0.5
371.24454	100.0
372.24811	11.1
385.26230	0.5
413.25385	1.1
531.16675	0.8
557.14508	5.6
558.15063	1.2
575.16229	0.8
575.24347	3.7
576.24988	0.5
601.13641	0.7
616.13605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89882	0.3
51.52556	0.3
51.57038	0.3
57.03329	0.4
57.93220	0.4
58.00485	0.4
59.01265	4.9
61.98713	1.8
64.72481	0.3
69.03339	0.9
71.01279	2.8
71.04809	0.9
72.99194	0.4
73.02827	1.3
76.31896	0.3
83.01283	0.5
83.04910	0.4
85.02840	1.4
85.48621	0.3
87.04407	0.5
88.98673	0.4
89.02331	1.1
93.03355	4.2
95.01319	0.4
95.04921	0.4
96.95913	1.1
97.06487	1.3
101.02370	2.6
113.02345	1.6
117.03386	3.0
119.04964	2.0
119.53697	0.3
123.08069	0.5
125.09663	1.0
134.03674	0.7
135.04468	0.5
136.01559	0.5
137.02371	7.2
137.09666	0.6
139.11209	2.0
145.02890	6.3
146.03233	0.4
155.10809	0.4
157.12279	0.9
161.04410	0.4
163.03943	3.3
167.03514	0.4
168.49858	0.3
169.12302	0.6
171.10222	1.6
172.10628	0.4
173.04518	1.2
175.03970	0.4
179.03435	0.6
185.00914	0.7
185.11794	9.5
191.05553	0.7
193.04982	0.5
209.11801	0.4
213.11261	1.0
214.12102	2.5
215.12880	0.9
219.08275	0.6
228.13612	0.4
230.07463	0.5
231.08174	0.7
235.07700	1.1
241.14369	0.5
243.16031	1.8
247.07777	2.6
249.09204	3.5
250.09483	0.4
255.16026	0.4
258.06931	0.8
261.05685	0.4
263.07190	1.3
275.07208	7.6
276.07599	1.2
281.06747	9.4
282.07065	0.7
311.22162	0.4
328.91754	0.3
335.22476	0.4
341.23413	5.7
353.23395	5.0
354.23721	0.7
369.22934	0.5
371.24454	100.0
372.24811	11.1
385.26230	0.5
413.25385	1.1
531.16675	0.8
557.14508	5.6
558.15063	1.2
575.16229	0.8
575.24347	3.7
576.24988	0.5
601.13641	0.7
616.13605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69545	1.1
59.01265	100.0
60.01620	1.7
61.54111	1.6
68.82274	1.2
69.03339	2.7
71.01270	51.6
71.06916	3.0
72.01600	1.4
72.99200	2.9
73.02840	23.0
83.01302	8.5
85.02840	13.9
87.00779	2.7
87.46724	1.2
89.02340	45.8
93.03344	2.8
95.01280	4.2
96.95904	5.8
97.02854	1.8
101.02345	39.5
101.03001	2.0
105.39467	1.4
113.01630	2.4
113.02357	31.7
119.03416	18.3
122.57565	1.3
125.02316	1.3
128.00380	1.3
131.03410	6.9
139.84300	1.3
143.03413	5.5
144.49620	1.4
149.04498	5.1
159.92715	1.3
161.04497	17.7
173.04529	5.2
179.03375	1.3
179.04193	1.5
179.05551	9.9
185.25198	1.3
191.05563	4.1
515.25092	2.3
616.75238	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	619.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.6
59.39167	0.3
60.99193	15.8
61.98720	0.7
71.01294	0.5
71.58592	0.4
71.58980	0.4
73.68317	0.4
78.95800	0.5
83.90602	0.3
87.00767	1.6
88.00297	2.8
88.98700	100.0
89.02338	16.3
89.99030	1.0
96.54900	0.3
103.03894	0.5
149.65509	0.4
159.49849	0.4
173.04448	0.5
206.42853	0.4
222.35614	0.4
252.63977	0.4
253.09238	0.4
309.99323	0.3
323.22433	0.9
516.13513	0.6
619.37073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47116	0.5
56.54852	0.6
59.01259	3.7
60.99191	15.6
61.98715	1.1
65.57355	0.6
71.01273	1.3
71.59852	0.8
72.99196	1.4
78.95827	0.6
87.00764	2.0
88.00294	3.9
88.98699	100.0
89.02336	22.0
89.99056	0.6
101.02364	0.7
109.06423	0.7
171.10190	1.2
173.04465	1.3
182.09418	0.6
197.11804	1.7
222.39711	0.6
236.43066	0.6
245.08997	0.6
253.09343	3.3
258.06882	0.8
281.05939	2.4
291.19696	0.9
309.05487	1.8
310.05939	0.7
323.22302	9.4
324.22583	0.7
327.06467	2.2
619.11176	1.9
620.11261	0.8
627.40619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.5
59.01265	6.8
61.98731	0.5
69.03370	0.8
69.45587	0.9
69.46013	2.3
71.01275	3.7
73.02874	0.6
80.02552	0.9
81.03369	0.8
83.01287	0.6
83.04913	4.1
84.02057	1.0
85.02855	1.5
87.00793	0.6
89.02328	2.7
93.03381	0.5
95.01307	0.4
95.04946	0.4
96.95961	0.9
97.06477	0.4
98.19752	0.4
99.00787	0.6
101.02356	3.0
109.06533	0.4
113.02377	1.7
119.03421	0.9
125.05991	0.6
125.09661	1.0
127.11211	1.5
139.12595	0.3
143.03514	0.5
145.02890	0.6
153.09090	0.5
161.04472	1.5
163.11272	2.7
165.12801	1.5
171.10222	100.0
172.10577	4.8
173.04469	0.6
191.10716	1.1
202.30992	0.3
207.10242	0.5
209.11816	86.4
210.12163	6.3
227.12891	12.6
228.13216	0.9
235.08290	3.3
237.53720	0.4
253.09334	8.3
289.05124	0.4
299.32974	0.4
369.26340	0.4
398.63837	0.4
400.07925	0.4
407.19235	1.9
445.20886	1.0
513.30865	4.2
514.30804	0.8
531.31665	1.4
532.31628	0.5
617.31567	0.7
626.72644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2575
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.62819	0.9
71.07144	2.0
78.95776	3.2
80.85558	1.1
84.20083	0.8
86.67284	0.9
101.02291	1.1
146.21971	1.0
149.31946	1.0
214.53589	0.9
237.56169	1.0
321.71924	1.1
374.34354	1.0
389.53690	1.0
401.14005	3.0
415.15887	2.8
416.16507	15.2
417.16852	1.8
429.17636	1.7
430.18137	3.1
431.18738	2.7
432.57471	1.1
458.17859	1.2
459.18356	100.0
460.18741	17.5
473.19910	16.3
474.20599	7.3
475.21097	1.3
499.18051	1.9
501.19821	2.1
503.17361	2.3
517.18781	1.7
518.11884	1.3
518.19708	45.6
519.20032	6.8
532.21289	6.9
533.22034	84.1
534.22382	14.4
543.21057	1.3
587.23254	5.3
619.25739	78.7
620.26019	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	619.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02429	0.5
59.01250	1.2
61.98710	0.8
66.98223	0.5
71.01254	0.7
71.59607	0.5
71.59985	0.8
76.68765	0.5
89.02351	0.6
93.03345	1.6
104.58402	0.5
137.02328	0.7
171.10176	1.3
173.04459	1.8
277.21909	0.6
291.19498	0.7
309.20731	1.7
393.52100	0.5
418.09891	0.8
429.09024	0.7
430.10129	1.3
431.10962	1.3
433.12726	0.8
443.10684	1.1
444.11798	0.7
445.12680	3.1
447.10229	1.0
453.09329	0.8
455.10855	2.3
459.10226	1.2
460.10764	1.1
461.12061	2.4
471.10330	2.2
472.10913	1.4
473.11896	6.5
474.12268	0.7
483.10617	1.4
484.10632	0.6
487.10471	0.7
488.10608	1.4
489.11362	4.5
499.09863	2.0
500.10715	3.0
501.11487	9.5
502.11850	1.5
516.10010	1.0
517.10864	5.0
518.11212	1.0
527.09546	1.0
532.12616	0.6
544.09357	2.9
545.10364	7.2
546.10669	1.2
559.11896	1.6
572.09082	2.4
573.09778	2.1
574.10193	0.8
604.11646	7.0
605.12128	1.3
619.14105	100.0
620.14404	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	615.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56968	0.7
57.03326	0.7
59.01262	10.1
59.39895	0.7
61.98712	1.6
67.64671	0.7
69.03332	2.0
71.01273	11.7
71.54251	0.9
71.54600	1.6
72.99194	0.9
73.02820	1.4
78.95786	1.3
80.99779	0.7
81.01559	0.6
83.01272	2.3
83.04832	0.7
85.02834	5.4
87.00764	1.8
88.98692	1.1
89.02343	5.6
90.46217	0.7
90.50945	0.8
93.03370	4.1
95.01276	2.0
96.95908	12.6
96.96843	1.7
97.02829	1.8
99.00787	4.2
100.61349	0.8
101.02336	7.9
113.02371	7.7
116.92776	1.5
119.03410	3.0
123.00775	2.2
125.02384	1.1
134.03670	1.8
135.04446	1.7
137.02402	1.7
138.03168	1.4
143.03426	3.0
145.02869	3.0
146.03238	1.1
149.05983	1.2
151.03934	1.1
152.99518	0.8
155.03494	1.0
161.04521	6.5
165.01909	0.8
166.99835	2.7
171.10220	1.0
173.04457	4.7
177.05548	0.9
179.03456	2.8
179.05605	2.0
182.02138	4.7
185.00876	2.2
188.91563	0.7
191.05557	2.5
197.04539	5.1
219.08150	91.0
220.08504	8.2
221.06448	1.6
225.11284	1.0
247.07668	53.4
248.08031	4.6
263.07175	100.0
264.07529	10.2
276.12042	0.8
291.06689	87.1
292.07056	8.6
301.07220	1.2
323.09891	19.0
323.13785	1.0
324.10306	1.0
328.10571	0.8
331.11963	1.2
358.47183	0.8
360.08240	0.8
375.10876	10.1
615.17255	11.4
616.17438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.9
57.03331	0.8
57.78607	0.6
59.01263	9.8
61.98696	1.8
68.99687	1.1
69.03332	2.6
69.50448	2.6
69.50867	3.0
71.01266	10.6
72.99196	1.4
73.02842	3.2
74.24860	0.6
75.00750	0.8
78.95790	1.0
83.01268	2.6
85.02840	5.0
87.00758	1.5
89.02324	3.0
93.03355	46.8
94.03667	1.5
95.01286	2.4
96.95883	2.5
96.99199	2.0
97.02869	0.7
98.20516	1.4
99.00782	1.6
101.02333	9.0
108.02012	1.5
111.00751	0.7
113.02338	6.4
117.03371	2.1
119.04906	1.7
121.02858	2.3
125.02374	1.1
134.03659	1.3
135.04411	1.2
135.08023	0.6
136.01588	4.5
137.02374	68.9
138.02722	1.9
139.03911	2.0
145.02885	3.3
147.04425	1.8
151.03900	1.1
160.01550	0.7
161.04440	1.1
163.03868	1.6
163.11275	0.9
171.10225	16.5
173.04503	3.0
175.03960	1.4
179.03436	4.1
179.05479	0.8
185.00900	1.7
187.03995	1.5
191.05525	1.5
193.04951	1.1
201.05504	0.8
209.11798	11.6
215.03490	3.5
217.06528	2.2
219.08144	82.5
220.08487	7.1
221.04486	0.8
227.12997	1.5
229.08691	1.1
245.06021	4.5
246.06833	4.7
247.07661	64.5
248.08015	6.2
253.09235	1.8
263.07159	19.3
264.07553	1.4
281.06717	47.6
282.06982	3.1
289.05115	30.4
289.08417	1.1
290.05643	5.4
291.06659	29.8
292.07025	2.9
295.11319	2.5
304.07614	1.8
309.26993	0.7
339.10306	2.8
341.11896	3.5
342.12204	0.9
397.14865	0.7
425.13864	0.9
453.11963	1.8
455.23035	2.0
485.15955	1.0
492.96725	0.7
501.16385	1.2
520.49017	1.0
529.15167	34.7
530.15442	5.2
545.14661	12.7
546.15344	1.2
573.14142	100.0
574.14496	16.7
583.29541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11973	0.2
55.23566	0.2
55.61002	0.2
56.73336	0.2
78.95789	2.6
79.95618	2.8
84.83474	0.2
87.67855	0.2
92.49072	0.2
96.95913	100.0
96.96799	4.5
97.95853	0.3
98.19769	0.4
101.32180	0.2
106.21810	0.2
161.28999	0.2
185.51666	0.2
189.85742	0.2
222.88853	0.2
229.69489	0.3
277.22342	0.2
314.55206	0.2
485.17969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56968	0.7
57.03326	0.7
59.01262	10.1
59.39895	0.7
61.98712	1.6
67.64671	0.7
69.03332	2.0
71.01273	11.7
71.54251	0.9
71.54600	1.6
72.99194	0.9
73.02820	1.4
78.95786	1.3
80.99779	0.7
81.01559	0.6
83.01272	2.3
83.04832	0.7
85.02834	5.4
87.00764	1.8
88.98692	1.1
89.02343	5.6
90.46217	0.7
90.50945	0.8
93.03370	4.1
95.01276	2.0
96.95908	12.6
96.96843	1.7
97.02829	1.8
99.00787	4.2
100.61349	0.8
101.02336	7.9
113.02371	7.7
116.92776	1.5
119.03410	3.0
123.00775	2.2
125.02384	1.1
134.03670	1.8
135.04446	1.7
137.02402	1.7
138.03168	1.4
143.03426	3.0
145.02869	3.0
146.03238	1.1
149.05983	1.2
151.03934	1.1
152.99518	0.8
155.03494	1.0
161.04521	6.5
165.01909	0.8
166.99835	2.7
171.10220	1.0
173.04457	4.7
177.05548	0.9
179.03456	2.8
179.05605	2.0
182.02138	4.7
185.00876	2.2
188.91563	0.7
191.05557	2.5
197.04539	5.1
219.08150	91.0
220.08504	8.2
221.06448	1.6
225.11284	1.0
247.07668	53.4
248.08031	4.6
263.07175	100.0
264.07529	10.2
276.12042	0.8
291.06689	87.1
292.07056	8.6
301.07220	1.2
323.09891	19.0
323.13785	1.0
324.10306	1.0
328.10571	0.8
331.11963	1.2
358.47183	0.8
360.08240	0.8
375.10876	10.1
615.17255	11.4
616.17438	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	613.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.5
57.03336	1.4
59.01266	7.8
61.98720	2.5
65.68965	0.6
67.01781	1.3
69.03345	100.0
69.45966	4.3
69.46385	1.2
70.03686	2.0
71.01276	4.3
72.99192	3.8
73.02830	0.8
78.95761	0.6
79.01779	1.8
83.04932	0.7
85.02838	5.9
87.00774	1.8
89.02359	1.4
89.44373	0.7
93.03366	3.6
94.00021	0.7
95.01286	3.0
96.95921	4.3
97.02856	20.8
99.00789	26.8
99.01434	1.4
99.04420	1.6
101.02349	1.6
104.75204	0.6
111.00852	0.9
113.02359	2.0
117.03385	10.3
119.04974	1.4
123.00782	1.2
125.02360	0.7
129.01875	1.7
129.03603	0.7
133.02888	1.0
134.03636	0.8
135.04489	1.3
137.02402	0.8
140.44920	0.7
141.01857	6.5
145.02896	33.6
146.03249	2.3
160.01637	0.9
163.03961	1.4
173.04520	8.8
175.03957	1.1
176.60773	0.6
185.00896	96.4
186.01221	4.1
191.05576	3.9
193.04945	1.1
203.14453	0.9
205.03506	1.0
221.15526	3.2
247.07637	1.1
249.09265	1.9
265.14542	14.4
275.07031	3.4
281.68454	0.7
347.06195	1.4
427.19742	6.8
439.14249	0.8
451.16208	1.0
613.21350	9.3
613.30560	0.9
614.21808	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	613.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05677	0.2
53.61534	0.2
57.03360	0.3
59.01267	10.2
61.98703	0.6
62.49244	0.2
67.01767	0.2
69.03342	0.6
70.64614	0.2
71.01273	1.6
71.59763	0.3
72.99187	0.5
73.02834	0.8
77.99570	0.2
78.95789	0.3
83.01299	0.5
85.02834	1.5
87.00778	0.7
88.98705	0.4
89.02341	0.5
91.74908	0.2
93.03363	1.0
95.01279	0.4
96.95912	0.4
97.02807	0.3
99.00742	0.3
101.02334	1.0
102.02671	0.2
109.02824	0.3
113.02338	1.3
117.03378	26.2
118.03708	1.1
119.04936	1.9
121.02869	0.4
125.02339	0.3
129.01871	0.5
134.03650	0.2
135.04489	0.5
143.03452	0.5
145.02890	100.0
146.03236	4.2
155.03488	0.2
160.01640	0.3
161.02264	0.2
161.04579	0.3
163.03969	2.8
171.04411	0.3
171.10243	0.3
173.04518	3.1
173.71901	0.2
175.03960	0.4
179.05695	0.3
181.76381	0.2
191.05580	1.4
193.05038	0.3
232.07426	0.2
289.07468	0.3
320.52231	0.2
323.09842	0.6
327.15842	0.2
331.08112	0.4
365.11008	0.6
407.12125	0.6
421.19165	0.4
425.13168	0.5
439.13971	0.3
511.14783	0.8
553.15735	3.1
554.16309	0.6
571.17010	0.8
574.34161	0.2
613.17426	3.1
614.18188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79685	0.6
55.01770	1.3
57.03345	0.7
58.00467	1.2
59.01263	22.7
61.98709	2.1
71.01270	17.8
71.58637	1.2
72.99198	0.8
73.02840	2.5
83.01280	2.8
85.02835	5.6
85.99993	0.8
87.00770	1.3
89.01838	0.8
89.02344	9.9
93.03380	1.2
95.01308	1.7
99.00770	1.5
101.02344	10.3
109.02872	0.6
111.00722	0.6
113.02354	6.0
119.03411	3.2
120.08102	1.2
122.06019	5.4
134.06064	1.7
137.02377	0.8
152.07114	5.9
152.78883	0.6
161.04567	0.6
163.98009	0.6
173.04491	3.7
191.05565	1.4
241.13524	0.8
241.21861	0.7
268.02237	0.5
277.34222	0.5
279.11490	1.4
287.22296	1.6
402.18430	1.7
431.26730	3.1
449.27606	19.9
450.28165	2.3
489.19208	2.0
567.26111	4.1
593.24365	0.8
611.25140	6.6
611.33093	100.0
612.25360	2.1
612.33643	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	611.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75011	0.3
58.80803	0.3
59.01265	0.5
59.40124	0.3
69.50294	0.3
71.01288	0.5
78.95795	14.7
79.95625	2.5
80.09538	0.3
90.08056	0.3
93.03423	0.3
96.95914	100.0
96.96838	22.6
97.95808	0.3
98.02397	1.1
103.83697	0.3
103.97491	0.3
117.18903	0.3
118.96597	0.5
119.49363	0.3
132.64201	0.3
152.99690	0.4
189.00797	0.5
253.09329	0.7
277.21796	2.4
290.28781	0.3
291.04053	0.4
351.06201	1.7
396.44296	0.4
422.29324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66561	0.3
59.01260	0.4
64.19145	0.3
71.01266	0.4
74.23524	0.3
75.07623	0.3
78.95793	14.2
79.95628	2.7
93.79556	0.3
96.00815	0.4
96.95917	100.0
96.96841	22.0
98.02386	2.1
132.03149	0.3
162.18065	0.3
185.37605	0.3
230.89626	0.3
274.15994	0.4
277.21591	1.7
290.13718	0.3
298.27664	0.3
351.06204	0.9
515.28613	0.4
538.93054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.6
61.98713	2.8
71.58074	0.9
72.85704	0.7
75.00743	1.5
78.95796	39.3
81.28944	0.6
96.96860	7.7
113.09624	1.7
152.99524	51.0
153.99832	1.2
169.77930	0.7
171.00548	1.0
179.04999	0.6
179.14287	0.9
195.13892	13.7
209.58711	0.8
223.00136	5.0
241.01196	19.4
242.01724	1.0
259.02304	1.1
277.21732	12.4
293.21216	2.5
295.22845	44.2
296.23233	3.9
315.04919	5.9
333.05963	1.1
346.72165	0.8
378.46439	0.8
400.47778	0.8
611.28497	100.0
612.28784	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	609.415
Annotation	Manadomanzamine A
Peak:m/z	Relative Intensity
50.68256	0.6
57.01540	0.6
59.01263	4.3
59.84365	0.6
61.98720	0.7
70.03727	3.2
71.01259	1.5
77.91360	0.5
83.04900	0.6
93.03345	1.5
95.04925	2.7
96.36767	0.6
109.06520	0.9
121.10147	21.9
121.70898	0.7
122.10465	0.8
125.09603	1.0
127.11185	1.2
149.09624	0.7
165.52029	0.6
171.10219	56.0
172.10524	2.5
173.04497	2.4
177.16425	1.4
185.11774	1.8
193.12462	0.6
203.18037	0.7
207.10036	2.4
209.08101	0.7
211.13364	0.8
231.21188	4.1
255.02951	0.8
257.19128	0.9
267.12320	0.7
271.02536	1.4
275.20215	66.1
276.20590	5.6
278.11411	9.0
283.13440	1.0
293.21292	73.5
294.21713	5.6
297.18420	1.9
300.02750	2.0
301.03796	1.0
315.19455	35.7
316.19760	3.4
329.17361	1.8
359.18469	9.8
454.60944	0.7
487.28714	0.8
609.14819	2.1
609.41443	100.0
610.41718	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.2
57.03339	4.0
57.96726	0.5
58.00467	0.6
59.01267	54.1
62.39212	0.6
69.03332	0.8
69.69711	2.1
69.70121	1.3
71.01275	11.5
72.99176	1.0
73.02826	3.3
83.01279	3.6
85.02845	8.7
87.00761	1.6
87.04415	1.4
88.98690	0.8
89.02296	1.0
95.01249	2.2
97.02878	1.1
99.00774	2.0
101.02364	8.4
108.02062	1.7
109.02870	1.0
110.37855	0.5
111.00775	2.0
112.01591	0.8
113.02356	5.2
113.08602	0.7
121.33189	0.6
123.08064	1.8
124.01638	0.6
125.02372	1.3
141.12721	1.3
143.03487	1.0
145.02817	0.6
152.01114	2.2
153.09134	0.9
159.02895	1.4
161.04472	1.8
169.12178	0.7
171.13870	2.7
173.04532	0.7
187.13383	1.4
191.05641	0.6
201.14952	2.0
217.14459	0.9
269.52209	0.5
269.99353	0.6
271.02454	1.5
300.02817	3.0
301.03384	1.2
315.25363	1.5
343.28638	0.7
359.28223	3.2
361.29645	8.9
362.29840	1.2
457.31903	0.7
505.33957	100.0
506.34308	13.4
523.34979	20.6
524.34998	3.1
558.69507	0.8
565.35980	8.1
609.14703	2.6
609.25165	0.7
610.24908	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	609.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46439	0.4
59.01255	1.4
60.95323	0.4
71.01270	0.8
71.58765	0.6
78.95797	0.9
84.46056	0.4
93.03359	1.2
95.04928	34.8
96.05251	0.6
96.95913	1.1
96.96877	0.4
111.08031	0.6
150.02884	0.6
162.65231	0.4
173.04533	1.3
179.14345	1.2
189.05295	1.2
195.13876	10.0
196.14391	0.6
205.12326	0.8
205.15907	0.5
208.03575	0.5
208.45723	0.4
211.13402	0.7
217.08206	0.5
223.13409	8.4
224.13724	0.5
228.13733	1.2
246.12378	12.6
246.14803	0.8
247.12808	0.9
255.02980	0.4
256.13123	1.2
265.21735	0.6
275.20251	4.5
276.62003	0.4
278.11414	68.8
279.11774	4.5
293.21298	100.0
294.21616	8.4
300.02756	1.1
301.03641	0.4
315.19476	33.9
316.19836	2.5
359.18332	0.6
426.58075	0.4
471.26099	0.5
546.30621	0.5
572.32111	2.6
573.32672	0.6
609.14941	0.9
609.41504	18.6
610.28394	0.8
610.41827	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	608.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.2
61.98717	100.0
62.98417	0.1
70.45263	0.3
77.14884	0.1
78.95802	0.5
98.19786	0.2
113.13243	0.1
138.34363	0.1
152.99538	0.1
179.76230	0.1
271.02527	0.3
291.19775	0.1
292.19989	0.1
300.02933	0.3
301.04031	0.1
329.44403	0.1
354.40286	0.1
608.25861	0.5
609.15167	0.4
609.25800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1472
Annotation	Rutine
Peak:m/z	Relative Intensity
57.08468	0.5
64.38757	0.5
65.00212	1.5
69.48735	0.5
70.60793	1.2
70.61182	1.0
83.01271	1.0
107.01278	2.8
108.02092	1.9
109.02874	1.6
121.02882	2.2
125.02356	0.6
135.00812	0.8
148.01585	1.5
149.02365	0.6
151.00298	13.4
152.00667	0.7
163.00267	2.7
164.01112	0.9
178.99826	6.8
183.04445	0.5
190.99846	0.7
192.00613	0.7
199.03902	0.8
211.04010	1.2
215.03467	0.7
216.04259	0.6
226.02734	2.1
227.03436	3.3
229.05048	0.7
243.02989	10.9
243.05353	0.8
244.03432	1.2
245.04604	1.2
254.02168	2.8
255.03023	31.3
256.03372	2.6
271.02530	59.5
272.02921	6.5
273.04074	1.1
283.02408	1.3
299.01999	1.6
300.02817	100.0
301.03516	40.8
302.03876	2.8
343.04678	0.5
460.01007	0.6
555.79547	0.5
609.14728	88.8
610.15131	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	609.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71457	1.1
57.01445	1.1
57.03321	1.9
58.00478	2.9
59.01263	80.4
61.98703	1.2
69.32729	12.5
70.63022	1.1
71.01268	41.2
72.99205	4.2
73.02822	3.0
76.40510	1.1
77.14190	1.1
83.01276	2.5
85.02852	11.2
87.00773	3.3
89.02338	35.7
95.01301	3.2
96.95909	1.4
101.02356	22.5
106.25669	1.2
113.02348	16.1
119.03416	15.1
131.03407	2.2
143.03441	2.3
146.04523	2.1
151.00325	2.1
161.04488	3.8
179.05562	10.4
255.02972	2.6
263.59991	1.2
271.02548	3.5
300.02869	7.0
301.03601	3.0
387.20276	4.4
549.25635	100.0
550.26117	13.7
609.14581	8.2
621.81305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	12.4
61.98719	100.0
69.03360	1.2
71.01265	4.5
71.58911	2.0
73.02853	1.2
75.00749	2.9
76.88158	0.9
78.95786	1.8
80.96405	1.7
83.04936	1.1
85.02827	2.3
89.02326	3.0
94.10457	0.9
96.76196	1.0
97.02814	1.7
101.02349	5.0
106.69406	1.0
111.08035	1.0
113.02349	2.6
113.09648	1.2
119.03427	1.5
125.09566	1.4
136.01607	2.0
137.02361	1.3
137.09727	1.3
139.11232	2.3
151.03952	2.3
152.04707	1.1
152.99490	1.6
161.04558	2.2
165.12778	1.7
171.10226	10.4
193.12265	4.2
198.89050	1.0
209.11874	2.6
211.13402	4.9
227.12933	1.2
241.01404	2.1
253.09329	24.0
291.19788	2.0
293.21313	13.9
294.21606	1.6
299.01981	1.8
311.22366	79.4
312.22882	6.3
397.13379	1.6
547.31152	4.3
607.14642	2.0
607.25293	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	607.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.3
57.03321	1.4
58.00481	1.4
59.01265	50.8
69.03316	0.8
70.34200	2.8
71.01267	14.7
73.02844	5.3
75.00735	0.7
83.01270	4.5
85.02838	9.5
85.99979	0.8
87.00780	1.3
87.04423	0.7
89.02326	0.9
89.54312	0.6
95.01289	2.9
96.95889	1.3
97.02838	1.3
98.19923	0.7
99.00764	2.8
101.02345	10.4
102.19276	0.7
111.00784	2.5
112.01572	0.6
113.02376	6.7
121.10151	4.5
125.02374	1.9
141.12817	2.2
143.03452	1.2
155.10808	0.7
155.53255	0.7
159.02989	1.3
169.12291	0.8
171.13892	3.3
179.25375	0.8
199.13358	1.3
201.14955	11.9
255.76814	0.6
299.01947	0.9
329.26514	0.7
334.83951	0.6
341.27237	1.3
345.19388	3.1
359.28088	3.1
363.20395	2.5
503.32373	100.0
504.32712	16.9
521.33423	17.1
522.33838	2.2
563.34222	3.7
564.34839	0.9
572.03918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37045	0.2
57.03329	1.1
59.00997	0.3
59.01268	3.9
60.99159	0.3
61.98719	2.0
68.74102	0.3
69.03334	0.9
69.98199	0.3
70.71768	0.7
71.01276	2.1
72.99155	0.3
73.02829	0.5
74.02365	2.8
78.95766	0.3
80.96413	0.3
83.01267	0.3
85.02846	0.5
87.00760	0.3
88.76386	0.2
89.02346	0.5
96.95869	0.3
97.06492	0.3
99.04383	0.3
100.83426	0.2
101.02343	1.8
113.02309	0.6
116.92715	0.2
125.02384	0.4
127.11261	0.4
130.09100	0.2
135.04428	0.3
171.10150	0.3
173.04547	0.5
175.04094	0.3
183.13860	0.3
185.11873	0.3
191.05559	0.5
197.11830	0.5
203.05623	0.3
209.11862	0.9
222.99940	0.3
256.20181	0.3
271.02612	0.3
277.50763	0.2
309.20883	0.4
311.22482	0.5
311.26089	0.5
313.23947	4.8
314.24344	0.5
325.23889	0.4
327.25607	0.4
341.27069	4.1
342.27155	0.6
357.26797	0.5
359.28107	100.0
360.28470	11.5
367.88315	0.3
368.21262	0.3
373.29727	1.6
383.14951	0.3
401.29144	1.7
462.27377	0.6
463.27423	2.0
505.28879	1.6
506.28781	0.5
529.70007	0.3
534.28540	0.8
607.31824	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	607.132
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
57.03329	2.3
58.09383	0.7
58.46182	0.7
59.01257	2.1
65.00205	1.4
69.60288	0.8
71.01273	1.7
71.36023	1.9
78.08994	0.9
83.01268	1.2
95.01296	0.8
101.02356	0.8
101.31276	0.9
107.01267	3.6
108.02061	1.4
108.74338	0.8
109.02857	2.7
121.02852	2.7
125.02338	0.8
140.59471	0.8
145.02805	0.9
151.00317	12.0
154.72122	0.9
162.03493	0.9
163.00319	2.7
164.01013	1.3
166.87607	0.8
178.99875	5.5
199.03978	0.8
209.11740	1.7
211.03960	1.1
226.02672	1.7
227.03381	3.2
241.01436	1.1
243.02985	10.2
244.03516	0.8
245.04419	1.6
254.02171	2.8
255.03024	29.1
256.03534	1.1
270.01675	1.2
271.02527	60.6
272.03043	4.9
273.04022	1.6
283.02371	2.7
299.02002	3.7
300.02792	100.0
301.03519	48.0
302.03821	2.5
383.97388	1.1
463.08923	67.9
464.09274	8.3
505.09970	51.5
505.17487	2.1
506.10349	7.4
545.13007	14.1
546.13483	2.0
607.13123	32.6
607.20715	1.2
608.13641	5.5
628.20184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73460	0.3
57.03341	0.5
59.01263	2.4
61.98717	56.8
62.88566	0.3
70.73338	0.3
70.73695	1.2
70.80399	0.3
71.01288	0.8
71.63065	0.4
78.95795	47.8
83.04970	0.4
85.02835	0.6
89.02323	0.5
93.03366	0.5
93.40974	0.4
96.96864	10.1
97.95425	0.3
99.00766	0.5
101.02309	0.5
106.02211	0.5
125.06007	0.5
140.97263	0.4
141.09152	0.5
148.08862	0.8
150.10442	1.1
150.97922	0.7
152.99529	64.5
153.99852	1.0
158.84003	0.4
163.11218	1.0
165.12804	23.8
166.13113	0.9
171.00595	1.5
171.10182	0.7
173.04536	0.5
177.12738	0.5
191.14400	0.9
197.11765	0.4
217.15997	0.6
223.00142	6.7
241.01210	19.7
242.01761	0.5
247.20712	12.5
248.20973	1.3
253.09409	0.4
254.09659	0.5
259.02228	1.6
269.29126	0.4
273.18661	6.9
274.19165	0.7
291.19730	49.3
292.20111	5.0
309.20792	1.1
310.21213	0.8
311.21371	0.9
315.04916	10.4
316.05258	0.6
333.05923	1.5
534.28412	1.4
607.25391	100.0
608.25714	17.8
613.97815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.7
61.98718	100.0
71.01279	0.5
71.59687	0.2
72.55036	0.1
78.95801	0.3
80.96405	0.2
82.23316	0.1
83.01344	0.2
89.02343	0.2
98.71147	0.1
101.02357	0.2
128.76108	0.1
145.02878	0.2
152.99551	0.3
172.55692	0.1
209.11940	0.2
227.12950	0.3
241.01263	0.2
307.19238	0.2
310.20947	0.2
311.22281	0.2
395.57968	0.1
506.34686	0.3
507.36191	0.2
607.12524	0.2
607.16119	0.2
607.24823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51068	0.1
57.00856	0.1
59.01268	0.6
61.98717	100.0
62.98425	0.2
69.32799	1.4
71.01272	0.8
78.95806	0.3
85.02878	0.3
89.02325	0.3
94.55782	0.1
98.19753	0.2
101.02362	0.5
113.02347	0.2
118.88756	0.1
161.04488	0.3
178.16884	0.1
203.70589	0.1
270.01785	0.1
289.18066	0.2
311.22330	0.3
438.48840	0.1
546.29987	0.8
607.32153	0.2
610.15924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14342	0.1
59.01258	1.3
61.98716	100.0
62.98421	0.2
69.28843	1.0
69.29266	0.5
71.01276	0.8
72.99190	0.2
75.00766	1.6
78.95790	0.6
89.02329	0.8
98.20558	0.2
101.02356	0.5
107.58897	0.1
113.02341	0.4
125.09640	0.2
126.13364	0.1
134.03693	0.4
135.04494	0.8
136.04848	0.2
152.99562	0.8
156.48132	0.1
171.10237	0.2
185.11697	0.3
196.54422	0.1
215.27356	0.1
241.01341	0.3
289.18234	0.1
290.18753	0.2
291.19629	0.7
315.10855	1.1
316.11230	0.6
320.23499	0.1
331.51724	0.1
450.51996	0.2
606.30103	1.8
607.14862	0.2
607.25574	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	605.384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16627	0.5
59.01253	1.5
59.71025	0.4
60.02158	0.5
60.18380	0.4
60.99194	2.6
61.98710	0.5
70.48624	0.5
71.56501	0.5
78.95789	0.8
87.00767	1.7
87.04000	0.4
88.00306	3.8
88.98701	20.5
88.99255	1.0
89.02322	1.4
93.03359	4.4
95.04916	0.8
97.06507	0.8
101.75452	0.5
125.05975	0.5
127.07576	0.6
139.72574	0.5
148.08842	1.0
150.10416	1.5
151.11247	0.5
152.99487	0.5
163.11220	1.3
164.66939	0.4
165.12801	29.2
166.13138	1.8
173.38518	0.5
175.11226	0.5
176.11998	0.6
177.12720	0.7
191.14316	0.9
217.16147	0.5
218.64125	0.5
244.10854	8.1
246.19655	0.5
247.20700	14.3
248.21030	1.0
258.07120	0.5
273.18692	8.3
277.21967	0.9
286.06436	1.5
291.19730	100.0
292.20050	7.3
309.68842	0.4
313.17929	24.2
314.18213	2.0
386.55948	0.5
397.62350	0.5
517.13995	0.6
545.13501	0.7
605.38385	43.7
606.38745	8.2
630.29913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.3
57.03331	2.4
58.00481	0.9
59.01265	63.8
61.98708	2.1
68.31930	0.6
69.03345	1.4
69.91096	4.2
71.01266	14.3
71.47403	0.7
72.99195	0.9
73.02846	5.0
83.01270	4.6
85.02842	12.4
85.99963	0.6
87.00765	1.9
89.02365	1.1
95.01279	1.7
96.95919	1.5
97.02864	1.7
97.06471	1.6
99.00761	3.0
101.02350	9.5
104.10872	0.8
111.00799	1.8
112.01588	0.7
113.02348	6.6
119.03405	0.7
121.10154	1.4
124.01554	0.6
125.02329	1.8
125.09672	0.8
134.03668	1.4
137.09671	0.8
141.12758	2.4
143.03404	1.5
149.09660	0.7
159.02893	0.8
160.01604	1.0
161.04474	1.3
169.12321	1.1
171.13841	3.1
173.04449	1.3
175.03963	1.0
180.41187	0.7
185.11864	1.1
193.05006	0.9
200.14151	1.4
201.14871	1.4
209.20461	0.7
218.30388	0.7
227.16437	0.9
229.18094	1.4
243.30725	0.7
300.70969	0.7
309.20630	1.2
321.24402	1.6
339.25400	1.7
344.18494	4.3
357.26422	3.3
361.18805	1.7
362.19513	6.7
363.19611	0.9
391.23288	0.9
446.26755	0.8
465.28812	1.7
483.29700	3.5
501.30795	100.0
502.31113	13.7
519.31836	24.9
520.32330	3.7
543.32239	1.9
561.33020	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	605.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.8
57.03331	2.6
59.01265	72.2
61.98711	1.7
63.67001	0.8
69.88545	5.2
70.82932	1.0
71.01272	18.1
72.99203	1.2
73.02835	5.9
78.95776	1.1
83.01283	5.0
85.02843	10.9
87.00773	2.5
89.02322	1.1
95.01286	1.2
96.95937	1.9
97.02891	2.5
97.06509	2.6
99.00785	3.8
101.02354	13.4
101.23459	0.9
111.00776	2.0
112.01575	1.0
113.02354	7.7
117.03407	1.2
117.22501	0.8
119.03388	0.9
121.10161	2.1
125.02392	2.2
125.09657	1.7
129.01877	0.9
132.02089	7.6
134.03670	13.2
139.07625	0.8
141.12775	2.4
141.30020	0.8
143.03464	2.1
158.65921	0.8
160.01598	21.4
161.02060	1.5
161.04515	1.3
171.10258	1.0
171.13881	2.3
173.04497	1.4
175.03981	21.9
176.04329	1.5
185.11691	1.4
192.53688	1.0
193.05043	17.5
194.05511	1.2
200.14197	1.5
201.11249	1.3
201.14890	1.8
229.18132	1.7
321.24469	1.4
339.25293	1.5
344.18375	4.1
357.26563	4.5
361.18808	1.1
362.19534	8.9
382.46021	0.9
385.47943	0.9
441.28867	0.9
453.28799	1.1
465.28848	1.9
471.29770	0.9
483.29938	5.3
501.30820	100.0
502.31158	14.0
516.56024	1.0
519.31836	28.0
520.32281	2.9
543.31744	1.7
561.32874	2.6
562.33710	1.1
605.26074	15.6
606.25916	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	605.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44869	0.1
59.01262	1.0
61.98703	0.2
62.51826	0.2
67.46056	0.2
69.29450	0.9
69.29878	0.7
71.01273	0.5
72.99194	2.1
75.00764	100.0
76.01099	1.1
77.68581	0.1
98.19766	0.3
101.02379	0.2
109.80672	0.2
116.82999	0.1
171.10278	0.2
173.04486	0.2
184.62978	0.2
197.11665	0.2
207.10466	0.2
211.13388	0.3
226.05692	0.2
252.58188	0.2
253.09311	1.5
257.50726	0.1
287.07150	0.2
291.19742	0.7
293.21301	1.7
294.21799	0.2
309.20734	1.9
310.21164	0.3
397.13672	0.2
406.02045	0.2
455.57776	0.2
503.54440	0.2
605.29791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83523	0.7
52.70389	0.7
57.03336	1.1
58.54031	0.7
59.01263	17.2
61.01091	0.8
61.98730	4.0
62.29819	0.7
69.03340	2.7
70.35439	3.2
71.01269	5.8
71.74323	0.7
72.99195	0.7
73.02862	1.1
83.01275	1.5
85.02839	2.8
89.02343	7.1
97.02853	6.3
97.06477	1.3
99.00774	1.0
101.02348	6.8
103.73231	0.7
107.54346	0.8
111.08079	3.5
113.02362	3.5
119.03402	0.8
125.09615	2.0
137.09685	1.6
143.03452	0.8
153.09180	0.8
161.04485	2.8
163.11186	2.3
163.80153	0.7
165.12817	5.4
169.12250	1.0
171.10234	4.4
172.58910	0.9
193.12282	1.4
197.11795	15.3
209.11784	2.8
211.13370	3.7
223.13370	0.9
225.14879	1.9
227.12836	3.9
247.20676	4.7
253.09309	39.6
254.09576	1.7
256.04129	1.1
262.78204	0.8
263.20193	1.0
263.82510	0.9
273.18573	1.8
291.19724	38.7
292.20074	3.1
309.20770	100.0
310.21133	9.2
357.26471	0.8
527.28174	1.1
545.29565	3.8
605.30127	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	605.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
59.01265	25.2
61.98711	3.4
64.41599	0.9
69.31355	8.5
71.01262	7.0
72.99196	3.1
73.02859	1.6
75.00763	100.0
76.01076	1.0
81.03371	0.9
83.01281	2.1
83.04886	1.5
85.02840	1.3
87.36521	1.0
89.02317	5.1
93.03348	1.0
93.35154	0.9
95.04942	1.3
96.87220	0.8
97.02886	0.9
98.20567	1.8
101.02354	5.9
113.02342	3.2
113.09612	0.9
119.00843	0.9
125.09647	3.3
139.11191	2.7
151.11252	1.2
155.90973	0.9
156.21696	0.9
161.04492	2.2
163.11250	2.4
165.12843	7.0
167.10693	1.5
173.04547	1.4
181.12297	2.8
183.13853	1.1
191.10796	1.2
193.15929	2.4
198.79767	0.9
209.11827	28.3
210.12164	1.8
211.13268	1.0
225.11293	1.0
227.12814	1.6
235.08267	1.4
247.20758	5.3
253.09326	28.6
254.09544	1.5
259.07614	3.1
260.08017	1.3
261.79605	0.8
265.21744	5.8
273.18445	1.3
274.06360	2.9
287.07196	9.6
288.07486	6.6
291.19739	42.7
292.20032	3.7
293.21243	2.2
302.05908	4.1
303.06363	1.2
309.20782	83.5
310.21176	7.7
318.05273	1.7
325.30353	1.0
445.20746	2.6
493.99237	1.1
545.29559	4.8
546.29535	1.0
605.11890	1.5
605.29614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48205	0.7
69.74043	0.8
71.59106	1.1
78.95786	1.3
92.51503	1.0
93.03360	7.4
95.74952	0.8
105.11992	0.7
121.19788	0.8
131.72552	0.7
152.99521	2.0
215.08682	1.0
230.07390	3.4
241.06633	6.7
242.07277	1.7
243.08144	1.3
257.06128	25.7
258.06888	98.6
259.07565	26.2
260.07971	1.8
269.06088	2.4
273.05502	1.2
274.06482	0.8
275.93518	0.9
277.21863	2.7
285.05658	6.9
286.06403	34.1
287.07175	42.6
288.07501	5.0
300.58698	0.8
317.08246	12.1
318.08600	1.0
424.11169	2.3
471.14114	1.3
481.12720	1.3
489.14996	1.2
498.12613	2.9
499.13538	3.4
500.14063	2.8
501.15033	3.4
502.15363	1.0
504.13742	1.4
510.12219	1.6
511.13388	1.8
516.13776	2.3
517.14197	5.1
518.14844	1.2
525.11163	1.8
526.12445	1.0
527.12909	15.6
528.13391	5.1
529.14136	3.0
538.12280	1.8
545.14148	9.2
546.14185	2.6
553.10492	1.3
554.11713	6.2
555.12415	14.8
556.12958	5.2
573.13556	69.8
574.13910	15.6
587.15125	100.0
588.15497	18.9
604.32483	0.8
605.16040	11.1
606.16101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25424	0.2
59.01249	0.2
61.98708	0.2
67.39164	0.2
71.48382	0.3
76.21180	0.2
78.95779	0.3
79.75192	0.2
101.43700	0.2
104.68094	0.2
134.12381	0.2
173.82561	0.2
182.03654	0.9
198.60336	0.2
210.03226	0.5
210.14482	0.2
217.06573	0.9
232.05280	0.3
233.06125	0.3
241.06683	0.3
245.06085	0.3
247.07661	0.6
257.06110	0.8
258.06891	2.7
259.07669	4.1
260.04999	0.3
260.07977	0.4
261.05624	1.4
262.06064	0.2
273.05673	1.2
274.06396	2.3
275.07196	2.4
276.07483	0.2
284.04724	0.6
285.05634	1.8
286.06201	0.2
291.19635	0.3
301.05133	3.4
302.05911	3.9
303.06671	100.0
304.07028	11.2
305.11392	0.2
470.09747	0.2
605.12549	3.6
605.30127	0.4
606.12805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80031	0.3
59.01254	0.5
61.88749	0.3
61.98712	1.0
65.71651	0.3
68.80064	0.3
70.96685	0.3
78.95795	0.9
79.59672	0.3
88.17365	0.3
110.06147	0.3
124.86194	0.3
148.01830	0.3
152.99591	0.4
155.71957	0.3
307.26480	0.7
308.26794	1.3
309.27032	0.4
314.60468	0.3
364.74680	0.3
415.15442	0.7
416.16400	0.5
427.19458	0.5
429.17258	0.4
430.18091	1.4
441.21082	0.5
444.18747	0.3
457.21005	2.1
458.21301	0.5
459.17828	3.1
460.18381	0.5
461.23856	0.6
470.21902	0.5
471.18106	1.5
472.18515	0.3
473.19821	4.9
474.20819	0.8
485.18906	2.1
485.24542	0.5
486.20804	3.8
487.21741	1.5
496.19235	1.2
499.17389	1.9
500.18375	0.7
501.22855	2.2
502.21689	0.7
511.21753	2.2
512.22015	0.6
513.19354	2.7
514.20148	8.5
515.20483	1.0
517.19110	0.5
518.19696	1.2
528.21588	0.9
529.22559	100.0
530.22858	17.4
532.21252	1.4
533.22119	1.9
561.25061	1.0
573.21515	1.4
605.24072	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	603.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.2
60.99190	16.1
69.25994	3.3
69.26422	1.8
78.95771	0.5
87.00780	4.8
88.00298	7.3
88.01124	0.7
88.98699	100.0
89.02336	56.8
89.99030	0.9
90.02679	0.7
142.27669	0.5
148.90930	1.9
152.99557	0.6
171.10146	0.9
247.34216	0.5
262.03525	0.6
295.22214	0.5
324.97910	0.9
422.86334	0.4
424.22556	0.5
554.86365	0.5
603.20386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.0
61.98724	2.5
67.88261	1.8
69.76756	5.8
69.77160	4.3
71.01270	10.3
98.20579	1.8
137.09601	1.7
171.10246	2.6
173.04564	2.7
177.09167	3.7
192.11624	8.0
200.70102	1.7
205.12427	3.8
207.13976	2.0
218.09460	2.5
220.14674	45.3
221.15469	100.0
222.15811	5.4
224.34839	1.7
235.13251	1.6
236.10556	78.5
237.10828	5.9
260.17499	1.6
268.08347	1.7
293.17651	67.2
294.18039	6.4
309.20920	2.2
333.07571	1.7
404.76382	1.6
554.43207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.3
59.97052	0.4
60.99192	17.7
62.71487	0.4
68.16539	0.5
69.26520	4.7
78.65241	0.4
78.95782	0.5
87.00772	6.9
88.00294	9.7
88.01091	0.8
88.98698	100.0
89.02335	90.5
89.99040	1.1
90.02666	1.3
103.91930	0.6
111.70219	0.4
148.90927	1.4
159.56734	0.5
219.35281	0.4
277.21786	1.2
278.22180	0.5
318.25458	0.5
322.96317	0.5
324.98068	0.9
330.09201	0.4
455.25720	0.5
455.45224	0.5
503.12930	0.5
504.13626	0.5
531.12085	0.5
560.12866	1.4
603.13800	4.0
604.14520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09257	0.8
56.66497	0.6
59.01267	11.3
61.98720	8.7
69.03329	2.4
69.41173	0.6
70.87898	1.7
70.88249	0.9
71.01276	5.6
71.04895	1.7
73.02850	1.2
81.03345	0.9
83.01266	1.0
83.04897	0.9
85.02859	2.1
89.02350	3.8
93.03323	0.7
95.04941	0.7
96.95941	1.2
97.02853	1.0
101.02358	5.3
109.06495	6.7
111.04407	2.4
113.02371	2.7
119.03395	1.6
121.06472	0.8
123.08051	1.5
127.07578	1.2
134.54578	0.7
137.02354	1.0
143.10727	1.5
145.06474	0.8
151.11205	0.8
157.08643	1.4
160.87285	0.8
161.04495	1.9
167.10741	1.9
171.10284	1.1
173.04489	1.6
177.01892	4.7
179.05542	1.0
181.12212	1.0
185.00827	1.8
193.05019	0.9
195.13878	2.6
209.11807	1.3
235.08293	0.9
235.13223	0.7
245.19156	3.8
253.09329	20.4
254.09708	1.3
271.17114	1.0
287.16672	1.2
289.05188	3.3
289.18155	100.0
290.18524	8.3
307.19171	6.5
419.71655	0.8
525.27374	3.4
543.28125	1.1
571.12701	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.8
59.01266	31.6
61.98715	10.4
69.03321	1.2
69.66763	0.7
69.67092	5.0
71.01273	9.4
71.04921	0.6
73.02827	1.8
75.00728	0.7
81.03349	1.4
83.01287	2.4
83.04898	2.2
85.02864	3.2
87.00784	1.1
89.02338	6.8
93.03339	1.4
95.04915	3.0
96.95927	0.8
97.02853	2.4
97.06488	2.2
99.00771	1.3
101.02345	7.6
109.02866	0.8
109.06500	4.0
111.04433	1.6
113.02361	4.1
113.06014	3.2
119.03382	1.9
119.93399	0.7
123.04449	2.3
123.08033	1.7
125.09652	4.3
135.08081	1.9
137.06042	0.7
137.09653	2.0
137.10631	0.7
141.12796	0.8
141.99231	0.6
143.03465	1.1
149.06047	0.7
151.11189	1.3
152.99483	0.7
157.87958	0.6
161.04524	3.5
161.09642	0.7
163.07455	0.7
163.11238	5.0
165.12808	1.6
167.10715	1.1
169.12305	5.6
171.10228	4.7
173.04539	3.1
177.12753	0.9
179.05585	1.7
179.10707	1.4
181.12321	1.4
183.13858	1.0
185.11777	4.5
191.10750	1.1
191.14363	6.3
195.13980	0.8
207.10248	2.7
209.11824	9.5
210.12054	0.8
211.13342	3.1
217.16022	0.9
225.11301	1.4
235.08142	0.7
236.01216	0.7
237.11304	1.9
245.19135	15.1
246.19630	0.7
249.15070	0.9
249.53093	0.7
253.09340	35.7
254.09685	1.8
263.20148	1.7
271.17148	2.2
289.18161	100.0
290.18530	10.2
295.22635	1.0
307.19220	64.3
308.19568	5.4
399.31067	0.7
402.59418	0.7
445.21304	0.9
543.28076	1.9
543.35461	0.9
603.30212	7.5
604.31458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68808	0.7
50.87094	0.8
53.52559	0.8
55.01756	0.8
55.21035	0.8
57.03339	1.2
59.01266	29.3
61.98714	1.3
65.53582	0.8
67.01791	0.9
69.03356	1.1
70.87612	2.6
71.01270	10.2
72.99203	2.7
73.02852	1.7
80.02566	0.8
81.03347	1.2
83.01284	2.5
83.04910	1.9
85.02848	3.2
87.00760	1.3
89.02334	9.2
93.03385	1.6
95.01288	0.9
95.04895	1.1
97.02859	2.2
97.06504	4.9
101.02357	9.4
102.28085	0.8
109.06532	1.1
113.02366	3.6
119.03423	1.8
119.08553	1.0
121.06487	0.9
121.08989	0.8
123.04453	3.5
123.08098	2.1
125.05978	1.3
125.09626	5.8
137.09679	4.3
141.12817	2.0
143.03372	1.2
149.06015	1.6
150.03267	0.9
154.15016	0.8
161.04478	4.5
163.07639	1.1
163.11270	8.1
165.09167	1.1
165.12796	2.5
171.10229	1.5
173.04436	1.2
177.12762	0.9
179.10727	1.6
180.80730	0.8
181.12346	1.6
185.11819	8.9
188.32909	0.7
191.10738	1.3
191.14401	9.2
207.10272	3.6
209.11823	22.5
210.12187	0.9
211.13376	1.7
217.15932	1.2
224.51944	0.8
225.11319	3.3
226.12173	1.3
235.08243	1.8
237.11322	5.4
243.17561	0.8
245.19125	18.1
246.19476	1.9
247.17046	0.8
252.95702	0.9
253.09334	40.2
254.09668	1.9
261.18674	1.0
263.20261	5.0
269.28287	0.7
271.17072	2.5
281.21155	1.2
282.21909	0.8
284.65817	0.8
289.18167	100.0
290.18463	9.0
307.19229	98.2
308.19550	9.6
425.80667	0.8
442.09711	0.9
517.34515	0.8
525.26892	1.5
531.12335	8.0
532.12885	2.2
537.46448	0.9
543.28003	3.8
544.28632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97227	0.3
59.01261	0.8
71.07168	0.5
71.07516	0.4
76.72596	0.3
78.95785	0.3
85.28425	0.3
87.00772	100.0
88.00294	13.2
88.01118	1.3
88.03931	0.3
92.78134	0.3
108.39229	0.3
127.64881	0.3
186.95074	0.3
253.09340	0.7
277.21780	4.9
278.22247	0.5
303.11346	0.3
359.11826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45151	0.6
57.03338	4.1
59.01260	1.4
59.44727	0.6
60.44855	0.6
61.98727	0.8
69.32033	0.7
69.32664	7.1
83.04919	0.9
95.04949	0.9
97.06487	13.5
98.06821	0.7
115.91021	0.7
123.08087	6.2
125.09647	100.0
126.10003	3.8
137.99709	0.6
143.10655	0.9
169.08623	2.3
171.10175	1.4
174.52562	0.8
187.09734	78.6
188.10097	3.1
225.11346	1.6
229.76884	0.7
243.12436	2.5
261.13498	11.9
401.32074	0.8
431.22937	19.5
432.23401	1.6
443.84128	0.7
447.25784	0.8
449.82690	0.8
481.57443	0.8
601.32446	86.5
602.32806	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	601.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71868	0.3
57.03333	0.5
57.43436	0.3
58.00483	0.3
58.51905	0.3
59.01267	7.1
60.69976	0.3
61.98709	1.6
68.01266	0.3
69.03330	0.6
70.05723	0.2
70.46088	0.9
71.01270	5.1
71.04903	0.4
73.02840	0.6
83.01270	0.8
83.04906	0.3
84.86207	0.2
85.02818	1.4
87.00780	0.8
89.02341	4.6
93.03375	0.4
95.01291	0.4
99.00782	0.6
101.02349	5.6
109.06527	0.3
111.08057	0.3
113.02338	2.2
114.42799	0.3
119.03409	1.4
125.02328	0.3
133.02855	0.3
138.63580	0.3
139.03944	0.8
143.03406	0.6
143.04515	0.4
160.01631	0.4
161.04500	2.8
171.10242	0.8
173.04526	1.4
179.05524	1.1
179.14313	0.7
183.13860	1.3
195.13895	6.9
205.12233	0.5
208.44485	0.3
209.11786	0.4
211.13361	1.5
223.13411	4.7
228.13548	0.3
231.21245	0.3
235.08286	0.4
235.17027	2.0
253.09340	34.6
254.09758	1.8
256.13159	0.7
272.09027	0.5
273.09109	0.3
275.20209	10.5
276.20462	1.1
293.21307	100.0
294.21619	10.2
349.32471	0.3
492.22260	0.9
493.21994	0.4
529.30646	0.8
601.28888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52242	0.8
55.01776	1.0
57.03341	0.9
58.00480	1.2
58.75924	0.7
59.00997	1.4
59.01266	19.0
61.98718	5.3
65.89874	0.7
69.03337	1.6
70.75262	1.5
70.75652	1.7
71.01271	9.1
71.04905	6.6
73.02823	1.5
83.01266	1.0
83.04883	0.7
85.02830	3.4
87.00768	2.0
89.02339	6.2
93.03359	1.7
95.04942	4.3
96.95924	1.0
97.02859	1.1
101.02337	8.7
109.06490	3.6
110.26897	0.8
111.04376	0.8
113.02345	4.4
119.03413	2.6
121.10135	2.5
122.19910	0.9
139.03931	4.3
157.08853	0.8
161.04475	3.5
161.05890	0.7
165.09102	2.3
171.10231	10.4
173.04442	1.1
178.96651	0.8
179.05539	1.1
179.19948	0.7
183.13802	1.4
185.00899	1.3
189.12839	3.8
195.13919	5.9
205.12094	0.9
205.15880	2.2
211.13397	1.5
223.13373	4.2
231.21136	1.0
233.11891	1.5
235.17039	3.0
243.17531	2.4
249.14960	2.6
253.09338	45.4
254.09624	3.0
263.16379	0.9
275.20215	20.5
276.20535	2.3
286.55762	0.8
287.16620	25.0
288.17093	1.9
293.21307	100.0
294.21643	9.9
305.17664	48.0
306.17984	5.8
475.15186	0.9
492.22412	1.1
541.26782	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	601.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
56.91004	0.2
57.03344	0.3
59.01265	6.8
59.88477	0.2
61.98724	0.3
69.03355	0.3
70.73018	0.4
70.73366	0.5
70.76904	0.2
71.01270	4.9
73.02847	0.9
83.01295	0.6
83.83221	0.2
85.02827	1.2
87.00798	0.6
87.83685	0.2
89.02339	3.8
89.02840	0.3
95.01291	0.2
96.15638	0.2
97.06487	0.2
99.00802	0.2
101.02345	4.3
111.08081	0.2
112.42167	0.2
113.02370	2.5
113.09670	0.2
117.09505	0.2
119.03400	1.1
131.03503	0.3
139.03938	0.4
143.03419	0.3
149.04405	0.2
161.04497	2.9
167.10693	0.2
179.05612	0.9
179.14368	0.9
183.13870	0.7
195.13893	7.1
196.14508	0.9
197.40311	0.2
205.12335	0.5
205.15981	0.4
211.13324	0.9
223.13406	5.1
224.13908	0.5
228.13702	0.6
231.21272	0.4
235.08235	0.4
235.17041	0.3
249.22130	0.2
253.09323	30.3
254.09665	1.8
256.13190	0.7
265.21606	0.4
275.20227	5.3
276.20514	0.6
293.21289	100.0
294.21625	10.3
329.20557	0.2
343.26572	0.2
492.22375	1.1
493.22702	0.3
529.30347	0.8
530.31104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.8
57.03341	0.6
59.01264	3.9
60.51865	0.2
61.98710	1.2
64.72054	0.3
67.01778	1.1
69.03341	100.0
70.03684	2.0
71.01274	3.3
72.99191	2.3
73.02842	0.6
78.95818	0.3
79.01761	1.8
83.01258	0.7
84.60485	0.3
85.02837	3.7
87.00769	0.4
89.02348	0.9
93.03351	1.5
95.01283	2.8
95.34940	0.3
96.95914	0.9
97.02847	18.1
98.03188	0.5
98.20650	0.5
99.00778	25.7
99.04402	0.5
100.01182	0.4
101.02338	1.6
108.71131	0.3
111.00819	0.4
113.02312	1.4
117.22849	0.3
119.03381	0.3
123.00803	1.3
127.03828	0.3
135.04463	0.7
137.02428	0.3
141.01868	5.2
155.03404	0.4
161.02429	0.6
171.10245	1.1
173.04538	3.3
174.04800	0.4
175.03915	0.4
185.00879	88.4
186.01208	3.7
191.01959	0.6
191.05534	1.1
203.07309	0.3
209.11853	0.9
211.13309	0.3
229.08737	0.7
230.09431	0.6
232.07454	0.4
235.17026	0.6
407.16968	0.4
409.15012	0.6
410.16025	0.3
413.21869	8.7
414.22156	1.3
563.21863	0.4
569.21075	0.3
581.22467	0.6
582.23743	0.3
599.23517	10.2
600.23804	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	599.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.6
57.03336	7.7
59.00998	3.7
59.01261	47.5
61.98429	5.0
61.98718	59.6
67.01788	6.1
69.03009	4.4
69.03340	53.6
70.92413	9.1
71.01273	46.6
72.99181	7.1
73.02837	15.1
75.00779	3.8
78.95778	4.6
79.01768	3.9
80.85412	2.6
83.01269	12.3
85.02836	27.8
86.48606	3.3
87.00751	6.3
89.02311	12.2
89.03897	2.9
93.03365	14.5
95.01263	15.8
96.95894	13.5
97.02258	4.5
97.02844	65.9
99.00763	12.1
101.02348	24.7
109.02827	4.6
111.00761	4.4
111.04401	4.5
113.02334	16.7
121.02836	6.8
123.00759	6.8
125.02377	7.7
127.00247	11.9
132.02040	7.0
133.02875	7.2
134.03668	28.9
135.04434	14.0
137.02394	6.3
141.01857	52.7
147.04361	4.1
151.00255	4.0
151.03914	3.6
151.06216	3.4
152.07076	6.2
155.03419	4.7
160.01627	21.3
161.02301	4.5
161.04500	3.8
165.01894	3.1
167.03542	3.0
171.10257	3.6
173.04483	52.7
174.04950	3.2
175.03934	29.6
177.01826	4.9
185.00885	58.1
191.01978	5.1
191.05591	20.5
191.07030	5.2
193.05017	26.4
200.56906	2.9
211.09908	3.1
211.13457	18.7
212.13614	8.8
235.16936	6.7
251.16505	6.4
345.12161	6.2
411.16867	15.5
413.21915	66.7
414.22012	8.8
426.15808	4.2
431.26212	5.1
479.15552	3.8
521.16644	7.5
563.24774	11.3
581.22351	6.2
586.14783	4.0
599.23309	100.0
600.23602	16.6
616.14648	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	598.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
58.02865	11.9
59.01261	2.7
61.43990	0.6
61.98714	2.1
66.03378	1.9
69.02261	0.8
69.03339	0.9
69.37943	1.0
69.38342	5.3
70.02877	0.8
71.01274	1.3
72.00801	1.2
74.00582	1.1
74.02361	26.1
80.03686	0.8
81.04479	1.7
82.02879	4.3
83.04948	0.8
84.04417	1.4
86.02374	11.9
86.06015	2.0
86.98977	0.7
87.05543	5.6
88.03926	1.4
88.98695	1.7
93.03368	1.1
93.40885	0.7
96.04462	1.3
97.03947	4.8
98.02369	0.8
98.19708	1.2
99.05544	21.8
99.66783	0.7
100.00322	2.8
101.07124	4.5
102.05515	4.1
107.06054	1.1
109.03987	5.5
109.07642	1.2
111.05569	1.6
112.03954	2.6
113.07108	0.9
117.03359	1.3
119.04942	1.1
121.04065	0.7
122.65795	0.7
123.05568	2.0
124.03996	1.5
125.03509	3.4
126.01845	0.7
127.05079	2.9
127.11301	0.9
128.03465	64.9
129.03799	2.5
135.05573	6.7
137.07115	1.5
141.06627	3.1
143.04561	83.0
144.04939	1.9
145.02914	5.0
145.06110	3.5
146.04514	10.5
149.07137	1.1
151.05055	1.2
153.06625	5.6
153.09177	1.3
155.08223	0.9
163.03998	1.8
166.09811	3.7
167.04567	2.5
167.08217	5.2
169.06200	1.0
170.03265	1.6
171.04121	1.5
171.10236	20.4
173.04512	2.3
175.01701	1.0
179.04584	21.7
180.04863	0.7
181.06183	2.0
184.10851	1.1
185.03893	1.0
185.05669	3.0
191.05606	1.4
192.07758	2.3
197.05742	4.2
204.43988	0.8
209.11826	13.9
210.08835	17.7
211.09143	0.8
219.08148	0.8
228.09947	2.2
236.06659	1.3
247.07651	1.9
247.20750	1.3
253.09346	0.9
254.07870	53.2
255.08316	3.3
256.11276	0.8
264.18887	0.8
264.43365	0.8
272.08945	100.0
273.09256	6.0
286.05182	1.2
291.19666	4.4
304.06216	2.1
304.90768	0.7
325.18484	6.4
469.23709	5.7
470.24203	1.0
580.27087	8.1
581.27991	1.7
598.28168	56.7
599.28687	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	598.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55725	0.4
58.02599	0.6
58.02863	6.9
61.98708	1.4
64.49934	0.4
66.03366	0.7
69.47794	2.1
69.48199	0.9
70.02871	0.6
71.01276	0.6
72.00807	1.7
74.02361	14.2
75.20519	0.4
75.80154	0.3
75.87318	0.4
81.04447	0.6
82.02870	1.2
84.04434	0.6
86.02365	5.1
86.06007	1.0
86.98991	1.8
87.05515	3.9
88.03947	0.4
88.98717	0.5
90.00084	1.7
96.04462	0.4
97.03979	1.7
99.05541	13.4
101.07101	1.9
102.05489	1.9
107.06053	0.7
109.03994	2.4
109.07621	0.9
111.05561	1.6
112.03976	1.8
116.01670	1.4
120.01157	0.5
123.05573	1.4
124.03968	1.1
125.03487	1.8
126.01880	0.6
127.05059	3.0
128.03459	36.0
129.03851	0.9
129.99574	0.5
131.04579	0.9
135.05547	3.6
137.07191	0.6
139.05043	0.6
141.06636	3.5
142.31441	0.4
143.04556	52.0
144.04880	1.5
145.06143	2.3
146.04541	5.5
149.07121	0.6
153.06631	4.9
155.08237	0.7
160.00681	14.2
164.09593	0.4
166.09827	2.0
167.04584	4.4
167.08188	2.9
170.03275	0.9
171.04068	0.7
171.07764	0.9
173.04495	1.1
177.03325	5.9
179.04581	12.5
181.06155	1.6
184.10950	0.6
185.05644	1.7
192.07687	1.1
193.06203	0.5
197.05649	1.6
198.08817	0.9
210.08827	11.9
211.09077	0.9
211.13475	0.6
215.47690	0.4
223.24690	0.4
231.04391	0.6
242.07698	0.9
254.07857	14.9
255.08156	1.0
263.06833	0.4
272.08926	27.3
273.09241	1.8
288.06631	8.7
291.19568	0.9
306.07715	100.0
307.08002	6.5
469.23819	0.6
580.26813	1.3
598.28186	13.9
599.28760	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3884
Annotation	Buxmicrophylline H
Peak:m/z	Relative Intensity
52.31007	0.2
53.98051	0.2
57.03314	0.3
58.02849	0.4
59.01259	1.4
61.98716	2.7
69.03340	0.9
70.02854	0.2
71.01270	1.1
71.59872	0.3
72.99193	0.2
73.02858	0.3
77.04046	0.2
80.04890	0.2
81.03346	12.1
83.04913	36.0
84.05252	1.1
84.15223	0.2
85.02827	0.2
87.00741	0.3
88.98654	0.2
89.02349	0.6
93.03365	0.7
96.95908	0.8
97.02850	0.3
97.52371	0.2
99.00800	0.5
100.07581	5.4
100.56784	0.2
101.02341	0.8
101.07939	0.2
108.04440	0.2
113.02376	0.6
114.52076	0.2
121.02835	0.6
125.02339	0.3
125.07067	0.3
126.05517	1.1
134.03636	0.3
135.04416	0.4
137.02393	0.2
139.40518	0.2
145.02876	0.3
145.04991	0.3
149.05894	0.2
151.06268	0.4
152.01102	0.3
152.07141	0.3
173.04543	1.2
182.15488	0.4
183.13815	0.3
185.00899	0.8
191.05615	0.8
199.13371	0.8
199.18135	6.4
200.18517	0.3
207.14937	0.5
211.13393	4.7
224.17630	0.8
225.16069	7.5
226.16446	0.5
243.17165	19.3
244.06445	0.3
244.17448	1.3
253.09209	0.6
265.22763	0.2
269.15045	1.6
273.47217	0.2
309.21848	0.8
310.21973	0.2
335.72897	0.2
353.20847	6.8
354.21158	0.8
384.12952	0.3
397.13452	0.5
401.39279	0.2
425.35086	0.3
433.32181	0.3
447.22647	1.7
451.32977	1.8
469.34045	13.6
470.34415	2.3
495.32227	0.4
537.33008	0.4
553.39618	0.4
579.37659	3.2
580.37964	0.6
597.38788	100.0
598.39099	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	597.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	57.2
61.98711	32.8
63.15503	4.4
69.03345	11.1
70.92580	12.0
71.01276	27.5
72.99203	5.2
73.02835	5.8
75.00749	7.3
83.01308	4.8
85.02851	15.4
87.00777	6.6
88.98678	11.0
89.02332	15.1
93.03354	17.3
95.01225	4.6
96.15829	4.5
96.95934	9.1
97.02866	4.6
99.00783	4.9
99.04402	7.3
99.90250	4.1
101.02361	15.8
102.39035	4.2
105.85545	5.2
107.96573	4.3
113.02343	14.5
116.92699	7.7
117.05485	9.9
119.03429	4.7
123.04385	4.7
129.01837	4.9
133.02843	5.4
135.04411	9.3
145.02834	5.9
148.04057	3.9
149.02412	5.4
161.04524	4.6
171.10223	10.9
173.04498	33.0
179.03354	4.4
185.00902	5.8
191.05602	18.8
192.11263	4.4
193.05046	4.6
197.11800	5.4
209.11855	39.0
211.13371	9.2
219.08173	6.1
247.07571	5.3
253.09395	35.7
263.07281	5.1
289.18060	9.9
291.06726	13.8
307.19241	100.0
308.19586	6.7
325.20193	48.8
421.40875	5.0
426.19699	4.9
453.19843	11.1
474.20917	13.6
523.21710	5.8
543.20587	8.7
543.28204	97.5
544.28387	18.2
561.29144	43.1
576.21344	5.5
597.26715	92.1
598.26953	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	595.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.0
57.03338	3.5
59.01270	2.6
67.01774	0.5
68.99705	0.5
69.66251	2.5
71.01276	4.3
72.99187	1.5
73.02814	0.7
75.00766	28.7
78.95795	5.1
80.96233	0.6
83.01279	1.8
84.02090	0.4
85.02844	23.1
86.03144	0.4
87.00778	0.9
95.01286	2.1
96.95931	2.1
96.96861	0.6
99.00765	1.3
113.02356	10.4
115.00291	0.4
117.01826	0.8
128.03386	0.4
129.01881	0.8
130.99828	0.4
147.14763	0.3
150.22522	0.4
152.99525	3.6
153.99861	0.5
154.99908	0.7
156.55252	0.3
157.01326	0.9
175.02446	0.4
195.14272	0.4
220.42010	0.3
227.95653	0.4
241.01195	1.8
242.01585	0.7
243.01607	0.6
264.10834	0.3
277.21689	1.8
278.22101	1.4
279.22394	1.5
289.05243	0.6
315.04797	0.5
535.36353	0.8
577.37732	0.8
595.28503	9.9
595.38580	100.0
596.28436	1.0
596.38947	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99976	0.3
65.19225	0.3
71.23919	0.8
78.95795	60.7
96.96866	12.9
131.70007	0.4
142.82631	0.4
150.97960	0.8
152.99527	53.1
153.99843	0.7
163.94403	0.4
223.00098	2.0
241.01208	28.9
242.01620	1.1
257.43347	0.4
279.23349	60.6
280.23715	6.5
315.04932	9.0
316.05380	0.5
333.06180	0.4
339.86389	0.3
415.22641	5.0
416.23199	0.5
433.23169	0.5
595.29010	100.0
596.29364	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	595.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.4
58.00485	3.7
59.01264	100.0
61.98706	3.8
69.03336	2.6
71.01273	51.1
71.57945	3.6
72.99196	5.0
73.02830	4.6
83.01266	5.7
85.02828	12.3
85.36192	2.2
87.00768	7.6
89.02341	56.6
93.03336	4.3
95.01274	5.8
96.95924	13.7
101.02363	32.8
105.21104	2.3
113.02361	18.6
119.03434	24.5
121.02822	2.3
131.03310	2.3
133.39696	2.3
143.03406	3.5
151.00244	4.4
161.04460	7.2
173.04532	13.8
176.11227	2.1
179.05544	14.9
191.05557	6.6
226.99364	2.3
255.03015	6.4
271.02530	10.4
300.02847	24.9
301.03561	12.1
324.40506	2.3
354.80023	2.3
433.07697	4.3
462.35739	2.4
515.50928	2.8
535.27704	85.0
536.28381	13.2
595.12811	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	594.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57626	0.1
59.01263	0.2
61.98716	100.0
62.98420	0.2
70.04168	0.6
76.71753	0.1
85.02871	0.1
92.20934	0.1
93.03387	0.1
109.38581	0.1
110.40408	0.1
118.41244	0.1
121.02871	12.3
122.03199	3.9
123.03359	0.2
136.01602	0.1
148.04012	0.2
165.01921	0.5
166.02335	0.2
173.04510	0.2
181.06560	0.2
182.06894	0.2
198.06406	0.1
209.04533	7.2
210.04868	3.5
210.06738	0.2
211.05009	0.3
295.23035	0.1
296.23264	0.4
297.23456	0.1
313.07520	0.2
314.07645	0.1
383.18570	0.1
384.08475	0.1
506.11691	0.5
550.10938	0.9
551.11523	0.1
594.13544	2.3
595.13812	0.5
595.28412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2903
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.21707	0.4
52.98874	0.4
59.01266	0.5
64.36221	0.5
71.07502	0.9
78.95795	59.1
95.81384	0.4
96.95914	0.8
96.96864	11.6
98.09375	0.4
100.46069	0.4
150.97943	0.9
152.99538	86.8
153.36655	0.4
153.99884	1.0
171.00575	2.4
222.95445	0.4
223.00148	10.0
241.01215	24.3
242.01523	0.6
259.02246	1.6
261.22263	0.5
279.23358	62.9
280.23694	6.6
315.04953	13.6
316.05417	0.8
333.05939	0.7
381.86850	0.5
553.33301	0.4
595.29028	100.0
596.29352	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.21
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01821	1.0
59.01265	77.5
61.98715	1.7
67.01778	1.3
69.03329	2.7
69.17598	1.0
69.76186	0.9
71.01270	39.8
71.57470	1.6
72.99193	2.2
73.02837	23.5
83.01281	8.2
85.02850	13.0
87.00764	1.2
88.98695	1.3
89.02335	11.8
89.02843	1.7
95.01286	2.9
96.95914	29.8
97.02834	1.7
98.66824	1.2
99.00768	3.0
101.02347	24.0
113.02351	16.1
114.02794	1.2
119.03408	3.8
120.01162	1.2
121.10125	6.0
125.02367	1.6
131.03415	1.6
143.03456	2.0
161.04489	8.5
165.09175	2.4
173.04500	2.9
176.22543	1.2
179.05536	2.1
181.52580	1.2
191.05540	1.6
221.06339	1.2
301.16544	2.8
345.15515	4.7
387.16702	100.0
388.16968	9.8
533.25934	2.8
551.26514	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	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.2
70.08026	0.9
70.08440	1.1
78.95796	63.4
96.96866	14.2
109.30560	0.3
150.97971	0.8
150.99667	0.4
152.99527	54.8
153.99857	0.8
171.00601	0.5
223.00197	2.0
241.01215	28.0
242.01544	1.0
259.02313	0.9
277.21793	47.7
278.22153	4.3
315.04959	7.8
386.77704	0.5
413.21078	5.9
414.21359	0.8
431.22302	0.4
470.17725	0.5
593.27454	100.0
594.27802	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92329	0.4
59.01264	1.0
60.68909	0.4
64.89771	0.4
67.22449	0.4
69.37103	1.5
69.37526	2.1
75.00757	0.6
78.95794	68.0
86.37426	0.4
96.96864	13.4
102.42986	0.5
116.88406	0.4
150.97978	1.2
151.07158	0.4
152.99535	100.0
153.99924	1.8
171.00644	3.4
223.00137	11.4
241.01208	27.2
259.02335	1.7
259.20496	0.7
277.21780	53.2
278.22070	5.2
315.01297	0.9
315.04944	15.5
316.05368	0.6
333.05881	1.4
411.45065	0.5
593.27441	92.2
594.27808	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03317	1.2
58.00471	2.8
59.01265	100.0
60.01608	1.3
69.50117	5.5
69.50530	1.7
69.84007	0.9
71.01269	49.9
72.99191	5.0
73.02835	2.6
75.00776	0.8
83.01266	2.1
85.02839	9.0
87.00770	3.7
89.02336	74.7
90.02635	1.8
93.03374	0.9
95.01291	2.5
95.39904	0.8
96.95909	2.7
97.02850	1.2
98.19772	0.9
101.01709	1.6
101.02345	25.4
109.31657	0.7
113.02354	21.7
119.03424	28.6
125.02354	1.6
131.03432	4.3
143.03438	9.6
149.04495	2.6
151.00307	0.9
161.04488	10.9
162.49858	0.8
173.04503	1.8
179.05569	40.3
191.05553	1.4
273.04340	0.8
285.04022	2.0
379.35764	1.0
387.16565	3.4
533.25983	1.7
539.15601	1.0
577.44330	1.0
593.15363	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	1.2
57.03338	2.6
59.01265	100.0
60.01604	1.5
61.98727	6.9
69.03344	2.7
70.73988	1.9
71.01270	15.0
73.02829	3.8
74.93458	1.0
75.00794	1.1
83.01287	5.5
85.02835	8.7
87.00762	2.6
93.03332	1.2
95.01292	2.1
97.02852	1.2
99.00793	1.8
101.02343	8.3
111.00787	1.3
113.02349	5.0
125.02361	1.9
143.03442	1.3
169.99458	1.1
171.13806	1.4
173.04474	6.1
185.15178	1.0
191.05611	1.7
299.26041	3.6
345.30164	7.8
346.30460	1.3
394.94501	1.0
449.10019	1.6
489.34436	72.1
490.34711	12.9
507.35464	25.5
508.35641	3.7
549.36945	5.2
593.24274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.2
63.02288	0.3
65.00214	0.4
69.48869	0.6
69.49288	1.0
76.64641	0.2
78.57189	0.2
83.01277	0.3
85.02861	0.2
87.87211	0.2
91.01801	0.4
93.03366	1.1
93.03864	0.2
101.02364	0.3
107.01296	1.8
109.02875	0.5
117.03419	0.3
125.02383	0.3
132.02101	0.5
135.00798	1.0
143.04939	0.6
145.02841	0.2
151.00323	2.6
153.01851	0.4
157.06528	0.5
159.04466	0.8
163.00323	1.9
164.01073	0.2
165.01872	0.4
167.05061	0.3
169.01320	0.4
169.06563	0.6
171.04456	0.7
173.06087	0.2
174.03156	0.3
178.99825	0.3
182.03638	0.2
183.04498	0.4
185.02440	0.2
185.06047	2.0
187.03995	2.0
189.05576	0.8
190.99757	0.2
195.04471	0.7
197.06053	0.8
199.03941	0.7
201.05557	0.4
207.74023	0.2
211.04004	1.8
213.05547	1.6
214.02747	0.3
215.03441	0.2
223.03923	0.3
226.02721	0.2
227.03505	24.3
228.03905	1.8
229.05075	9.0
230.05388	0.7
239.03494	1.1
240.04214	0.8
241.05049	1.5
243.03065	0.4
255.03030	42.5
256.03577	6.2
257.04584	5.7
258.04883	0.2
267.03104	0.8
283.02600	0.8
283.06430	0.2
284.03329	54.6
285.04080	78.8
286.04440	6.5
327.05219	1.1
328.05298	0.2
533.25720	0.4
593.15240	100.0
594.15582	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	593.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.7
59.01264	2.7
59.35183	0.2
61.98716	1.5
69.03352	0.3
69.31758	1.2
69.32199	1.1
71.01266	1.1
73.02842	0.3
75.00755	0.3
76.40054	0.2
78.95795	0.4
83.01256	0.3
85.02868	0.6
87.44402	0.2
89.02356	0.3
93.03369	0.8
99.04433	0.4
101.02347	2.1
113.02350	0.5
125.02359	0.3
134.03650	0.2
137.02359	0.3
160.01578	0.4
173.04497	1.6
175.54393	0.2
181.20100	0.3
191.05597	0.5
231.08186	0.5
241.06607	0.6
258.06897	0.6
259.07672	17.0
260.07968	1.9
269.06097	0.9
270.06537	0.3
286.06403	0.8
287.07193	100.0
288.07550	10.5
300.08112	0.3
316.75821	0.2
345.26590	1.0
389.94687	0.2
392.49066	0.3
449.12521	18.0
450.12860	2.9
491.13599	8.7
491.24481	0.4
492.14084	1.5
531.16766	1.3
532.16156	0.3
533.33392	1.7
593.16681	2.1
593.28424	0.9
594.16766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1529
Annotation	Kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
51.96030	0.3
59.73401	0.3
65.00201	0.6
70.07394	1.6
72.81470	0.3
79.65834	0.3
83.01288	0.5
86.12929	0.4
87.40121	0.3
93.03366	0.6
107.01293	1.2
109.02859	0.6
132.02097	0.9
135.00815	0.7
151.00325	2.1
153.01869	0.4
163.00322	1.0
164.01025	0.5
171.04530	0.5
173.02415	0.3
183.04492	0.6
185.06052	1.1
187.04018	0.9
199.03978	0.4
201.05467	0.4
211.03926	1.6
213.05640	0.5
215.03665	0.3
227.03511	28.5
228.03851	2.5
229.05098	3.3
239.03613	1.2
240.04143	0.4
241.05064	0.6
245.15120	0.3
255.03023	55.3
256.03476	6.4
257.04660	2.5
283.02414	0.6
284.03320	51.8
285.04019	22.4
286.04425	1.9
327.05176	0.6
593.15240	100.0
594.15594	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72360	0.2
57.57095	0.1
59.01259	0.2
61.98717	100.0
62.98427	0.1
69.31918	0.1
69.96806	0.1
70.83266	0.4
79.95616	0.3
80.96416	0.5
83.54191	0.1
207.66628	0.1
268.16022	0.1
399.91098	0.1
589.64966	0.2
593.26483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86441	0.1
61.98717	100.0
62.98430	0.3
64.66074	0.1
70.61292	0.4
78.66794	0.1
98.19911	0.1
112.31188	0.1
147.23727	0.1
177.91487	0.1
230.01610	0.1
293.21411	0.2
294.21637	0.2
295.21973	0.1
350.10095	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	592.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01278	0.1
61.98717	100.0
62.98401	0.1
70.31729	0.3
74.36225	0.1
75.32047	0.1
80.96384	0.2
93.21210	0.1
98.20460	0.1
103.38467	0.1
147.19196	0.1
185.43373	0.1
205.44476	0.1
251.85342	0.1
255.12355	0.1
291.16248	0.1
293.21567	0.1
294.21771	0.2
363.05975	0.1
402.57101	0.1
412.04941	0.1
415.74011	0.1
462.13052	0.1
515.21216	0.1
593.26361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61280	0.2
59.01267	0.8
61.45826	0.2
61.98716	100.0
62.98441	0.2
66.99364	0.2
71.01275	0.4
71.49750	0.3
78.95827	0.4
84.66028	0.2
85.80433	0.2
89.02354	0.2
93.03359	0.7
121.02876	0.3
132.58203	0.2
134.87994	0.2
144.30748	0.2
167.05000	0.2
171.10260	0.3
183.04419	0.2
195.13988	0.3
209.04564	0.4
253.09285	0.9
254.09697	0.6
259.07693	0.4
277.21765	0.4
278.22171	0.4
287.07285	0.7
293.21469	0.6
294.21750	0.8
295.22772	1.9
296.23169	2.1
305.08228	1.0
455.57724	0.2
499.85583	0.2
583.68396	0.2
593.15448	0.2
593.27356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31545	0.4
57.03317	0.5
59.01262	28.2
59.55326	0.4
61.98717	7.6
63.99136	0.5
70.69422	1.0
71.01248	0.6
72.83456	0.4
74.70698	0.4
78.95795	14.1
80.96402	0.8
83.04917	0.4
93.03352	0.6
95.04906	0.4
96.96851	0.5
97.73444	0.4
111.08080	0.9
113.09663	0.4
121.76389	0.3
137.02408	0.9
141.09154	0.4
144.18993	0.4
152.99527	5.0
158.83780	0.3
167.10715	0.7
168.04260	2.6
173.04631	0.7
179.14363	1.4
192.24416	0.4
195.13875	13.0
196.14491	1.5
203.53233	0.4
205.12294	1.2
205.15991	0.7
211.13342	1.2
215.87021	0.4
223.13382	9.0
224.06908	1.6
224.13794	0.7
225.00778	0.6
226.15854	0.4
228.13721	1.1
229.00346	0.4
231.21162	0.6
242.08000	6.1
249.18649	0.4
256.13190	1.4
265.21671	0.8
266.06870	0.4
275.20203	6.3
276.20325	0.6
293.21286	89.7
294.21634	8.8
303.06848	0.5
307.22824	1.2
447.21448	2.6
448.21204	0.5
518.28967	100.0
519.29297	14.8
532.30328	0.8
533.25446	0.9
536.85034	0.5
592.28247	0.5
593.26288	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	592.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83617	0.5
57.03342	0.8
58.02866	2.9
59.01259	4.5
61.98721	6.0
66.03363	0.5
67.14416	0.4
69.03328	0.9
70.35789	1.1
71.01279	2.1
72.71403	0.4
73.02844	0.7
74.02354	7.6
75.00714	0.5
78.95795	1.4
82.02872	1.1
83.01291	0.6
85.02847	1.6
85.03957	0.9
86.02376	3.2
86.06028	0.8
87.00806	0.4
87.05543	1.5
88.03928	0.5
89.02351	1.5
93.03361	1.1
95.01271	0.5
96.95895	0.8
97.03976	2.2
99.05534	6.4
101.02342	2.2
101.07105	1.2
102.00100	1.4
102.01767	0.4
102.05504	1.4
105.99580	1.5
107.06044	1.0
109.03945	1.0
111.00832	0.6
112.03938	0.8
113.02351	0.8
113.03545	0.5
118.48172	0.5
125.03479	1.2
128.03458	29.9
129.03822	0.8
135.04501	0.6
135.05551	2.1
137.07137	0.6
141.06612	0.7
143.04552	31.7
144.04880	0.6
145.06104	1.4
146.04514	3.2
153.06618	1.6
160.00645	1.0
161.02356	0.8
161.04495	1.0
164.03397	0.5
166.09798	1.0
167.04616	0.9
170.03157	0.5
171.10205	0.9
173.04530	2.3
175.01787	2.5
175.04007	0.5
177.06013	0.5
179.04582	7.6
185.05637	0.6
191.05605	1.5
192.07808	0.5
197.05663	2.7
201.11304	0.9
210.08824	6.8
226.08281	0.7
247.07715	0.5
254.07863	14.9
255.08203	0.6
257.06351	0.5
258.06894	21.3
259.07590	6.3
262.04651	1.0
263.05359	5.3
272.08926	54.1
273.09207	2.8
287.07150	2.8
290.04141	8.2
291.04898	53.9
292.05203	5.2
304.06143	10.1
305.06427	0.5
319.04395	100.0
320.04684	10.0
369.38556	0.5
370.86267	0.5
488.50269	0.5
531.28009	0.7
532.27301	0.7
592.13672	2.5
593.14752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.4
55.76835	0.5
57.03334	1.7
58.00484	0.5
59.01264	100.0
60.01605	1.2
61.98729	2.1
62.93875	0.4
69.03348	1.2
70.34364	2.0
71.01273	17.4
72.99210	1.1
73.02832	6.4
75.00761	0.6
77.25454	0.4
83.01282	5.4
85.02839	10.4
85.99995	0.6
87.00790	0.8
89.02352	0.9
93.03379	0.7
95.01290	1.1
97.02843	1.1
99.00786	2.8
101.02347	12.1
101.05243	0.4
111.00813	1.6
112.01588	0.9
113.02358	8.0
115.00292	0.8
115.03916	0.8
121.10130	2.6
124.01622	0.5
125.02371	1.6
129.01842	0.6
133.01357	2.2
133.65125	0.5
137.02435	0.5
141.12766	0.5
143.03453	1.8
150.05470	0.5
159.02943	1.9
161.04474	3.4
169.12300	0.6
171.13876	1.5
173.04543	1.4
185.15436	2.6
191.05559	0.8
215.24918	0.4
221.61319	0.4
244.53670	0.5
276.10144	0.5
305.34860	0.5
313.27600	0.9
325.27542	1.2
329.19827	2.0
333.19305	1.5
341.27155	0.5
343.28741	2.4
347.20804	2.9
417.15717	0.8
427.30603	0.5
457.31827	0.7
469.31537	1.1
487.32861	69.9
488.33191	12.3
505.33954	24.2
506.34219	3.8
531.30365	0.5
547.35132	5.1
548.35193	1.4
591.20660	0.6
591.29913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12021	1.4
55.81509	1.3
59.01261	11.8
61.98715	86.7
62.45570	1.2
71.01270	2.9
71.56407	1.9
89.02325	3.3
101.02342	4.7
103.88593	1.3
113.02347	2.5
119.03422	2.3
152.99371	1.5
161.04491	1.6
162.61517	1.3
170.75717	1.4
171.10258	3.6
195.13882	10.7
198.04977	1.4
253.09332	24.4
254.09756	2.4
267.12357	1.6
277.21738	17.3
293.21338	5.8
294.21671	6.5
295.22839	100.0
296.23233	12.1
358.53815	1.6
395.31613	1.4
408.69235	1.3
436.48373	1.5
444.81772	1.4
531.32031	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1372
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.13607	0.4
53.80737	0.6
57.00774	0.5
57.03340	6.6
59.01260	4.1
61.98717	3.3
63.02283	0.6
65.00224	0.6
69.03349	3.5
73.02836	0.7
73.13699	0.5
78.95820	0.5
83.01240	0.5
83.56068	0.5
85.02840	0.5
86.14537	0.5
91.01786	0.5
93.03339	2.4
96.95895	1.3
99.00760	1.1
99.04397	1.6
101.02341	1.9
107.01289	2.4
109.02844	0.8
113.02347	1.1
117.03421	1.2
123.00777	0.6
125.02362	1.2
127.95570	0.5
132.02194	0.6
135.00807	1.9
143.04968	0.8
145.02884	2.0
151.00288	2.8
153.01912	0.7
159.04472	1.1
163.00308	2.1
163.03941	1.1
164.01100	0.8
165.01874	0.6
167.04916	0.8
169.06573	0.9
173.04501	1.4
176.25674	0.5
183.59224	0.5
185.00858	1.9
185.06023	1.9
187.03955	3.2
189.05528	0.8
195.04448	0.7
197.06059	1.3
199.04007	1.6
201.05566	1.0
211.03961	2.7
213.05540	2.5
227.03506	30.7
228.03934	2.4
229.05077	11.9
230.05455	0.7
239.03543	2.1
240.04211	0.9
241.05063	1.3
255.03024	63.7
256.03580	7.7
257.04581	7.2
267.03152	0.7
271.02701	0.7
284.03326	95.9
285.04077	100.0
286.04425	8.0
297.03418	0.6
305.08810	0.6
405.25134	0.7
446.64624	0.5
447.09409	44.0
448.09656	4.9
489.10492	59.9
490.10815	6.6
529.13599	24.6
530.14130	3.8
531.11432	1.6
591.13708	17.0
591.24756	1.9
592.14038	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	589.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
59.01264	22.5
59.03787	0.7
61.98712	2.0
62.50424	0.8
71.01265	7.7
71.04900	2.5
71.58868	1.2
71.59180	0.8
73.02846	1.6
77.28343	0.7
77.56328	0.7
85.02844	1.6
89.02338	5.9
89.58953	0.8
101.02335	6.6
112.61253	0.7
113.02357	4.1
119.03425	1.7
143.03360	1.1
157.08569	1.3
161.04515	3.0
179.05577	1.0
209.15440	1.7
231.21150	3.1
235.08199	3.4
235.17061	46.1
236.17378	4.6
253.09328	47.5
254.09676	2.5
257.02939	0.8
275.17093	1.8
275.20218	79.3
276.20569	8.0
293.21301	100.0
294.21622	10.4
318.98505	1.0
397.44238	0.9
411.78079	0.8
511.29343	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	589.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
57.03324	1.4
59.01264	16.0
61.98692	0.7
63.40142	0.2
64.25101	0.3
71.01263	3.4
71.58460	0.3
72.99185	0.3
73.02829	0.7
83.01270	0.6
85.02833	1.0
87.00779	0.4
89.02340	2.9
90.89519	0.2
91.67408	0.3
97.06468	0.4
101.02354	3.8
109.06477	0.3
113.02348	1.7
113.09638	4.3
119.03410	0.8
121.10161	0.6
125.09664	0.3
133.05002	0.3
139.11217	0.4
143.03423	0.3
149.09682	0.4
161.04506	1.7
167.10736	0.9
171.10196	1.4
177.12785	0.3
179.05579	0.6
179.10718	0.8
183.04507	0.6
183.13889	3.3
195.13913	2.2
209.92403	0.3
211.13358	1.0
223.13385	1.2
231.21118	0.4
235.08208	0.7
235.17052	1.1
249.22267	1.0
253.09323	18.8
254.09679	1.1
275.20236	6.0
276.20633	0.7
293.21292	100.0
294.21622	9.3
318.83109	0.2
379.84360	0.3
529.30310	2.9
537.55939	0.3
589.12787	1.5
590.13043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.3
57.45218	0.7
59.00993	1.1
59.01269	15.9
61.98699	3.7
70.14275	2.9
70.14694	2.0
71.01259	3.9
78.95760	0.8
85.02808	1.8
86.39957	0.8
87.00794	1.1
89.02341	4.9
96.95882	1.4
98.19834	1.0
101.02366	4.9
109.06483	1.0
113.02380	1.4
113.09634	5.0
119.03387	1.3
122.75330	0.8
125.33032	0.8
161.04500	1.7
171.10196	1.6
183.13853	6.1
195.13841	3.2
199.62296	1.0
211.13448	2.1
223.13414	1.7
245.52792	0.8
249.22179	1.0
253.09331	19.9
275.20212	4.4
287.07138	1.1
293.21286	100.0
294.21649	10.3
421.05460	0.9
529.30206	3.3
589.12891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.7
61.98719	100.0
62.98436	0.2
71.01288	0.2
98.20542	0.4
171.69957	0.2
173.04474	0.3
229.72197	0.2
291.19873	0.4
292.20163	0.5
293.20569	0.3
354.26843	0.1
400.42078	0.2
542.08228	0.2
591.11096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.9
61.98718	100.0
62.93732	0.3
71.24927	0.5
71.25261	0.5
93.04798	0.3
101.02335	0.3
115.92144	0.3
123.93534	0.3
125.02191	0.3
167.07362	0.3
180.76167	0.5
209.11955	0.4
274.06226	0.4
287.07251	0.4
288.07428	0.4
292.20010	0.5
294.21173	0.3
302.05930	0.4
590.13800	2.2
591.13623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01640	0.3
55.01755	0.3
57.03334	5.4
59.01259	4.7
61.98438	0.4
61.98717	5.4
62.21284	0.3
63.02283	0.4
65.00224	0.3
67.01769	0.3
69.03345	2.8
71.54465	0.6
72.99174	0.5
73.02809	0.6
75.00745	0.3
78.95775	0.4
83.01255	0.8
85.02821	1.1
87.00780	0.4
89.02315	1.0
91.01791	0.6
93.03343	1.6
95.01287	0.5
95.56517	0.3
96.95904	1.2
97.02827	1.1
99.00733	0.6
99.04404	1.4
101.02346	1.9
104.70728	0.3
105.85150	0.3
107.01308	2.7
109.02867	1.0
113.02332	1.0
117.03347	0.9
118.78843	0.3
119.04891	0.7
123.00787	0.5
125.02321	1.0
132.02095	0.9
135.00803	1.5
135.04425	0.6
137.02347	0.3
141.01787	0.4
142.97197	0.3
143.04933	0.7
145.02927	2.5
151.00284	2.1
153.01811	0.5
154.04138	0.4
155.04851	0.3
157.06537	0.7
159.04428	1.1
161.04530	0.3
163.00339	2.1
163.03938	0.7
164.01105	0.4
165.01825	0.4
166.20108	0.3
167.05016	0.4
169.01251	0.6
169.06487	0.7
171.04385	0.8
173.04488	1.3
173.05881	0.4
178.99792	0.4
183.04468	0.8
184.23273	0.3
185.00888	2.4
185.02348	0.6
185.05983	2.5
187.03973	2.6
189.05539	1.0
191.05479	1.2
195.04556	0.6
196.05246	0.4
197.06036	0.7
199.03957	1.2
200.04787	0.5
201.05518	0.6
211.04004	2.1
212.04561	0.5
213.01822	0.3
213.05524	2.5
227.03487	24.9
228.03880	2.1
229.05058	10.4
229.08560	0.4
230.05504	0.6
239.03497	1.7
240.04160	0.8
241.04941	1.5
243.02997	0.6
255.03015	55.8
256.03534	6.3
257.04587	6.4
267.03015	1.0
271.02521	0.4
283.02490	0.4
284.03314	89.8
285.04062	100.0
286.04449	7.4
299.02084	0.6
300.02612	0.7
301.03427	0.4
305.08676	0.4
327.05164	0.4
369.23056	0.4
376.69052	0.4
405.17560	0.4
429.17374	0.4
447.09412	40.8
448.09723	5.0
489.10486	54.0
490.10916	7.2
529.13599	20.8
530.13971	3.1
531.11572	1.3
591.13757	15.3
591.24011	1.6
592.14185	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	589.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31069	0.7
59.01262	0.7
61.98719	1.4
67.64344	0.8
71.38844	0.8
71.39169	1.2
72.99208	1.2
78.95790	1.2
83.63107	0.8
93.03391	0.9
109.02867	2.8
119.86222	0.7
203.44736	0.7
214.30283	0.7
215.08702	3.6
217.06598	3.1
220.01125	0.7
229.06586	1.1
231.08131	0.8
243.08229	2.1
245.06102	8.0
246.06395	0.7
256.05310	3.0
257.06155	7.7
258.06879	6.5
259.07675	54.9
260.08002	5.4
269.06183	1.2
272.04852	3.2
273.05624	59.9
274.06323	32.1
275.06879	2.9
277.21881	0.9
284.04803	1.2
285.05658	1.6
286.06448	2.3
287.07190	100.0
288.07492	9.5
300.04318	6.3
301.05121	92.8
302.05783	32.8
303.06213	2.4
319.06314	0.8
423.10284	0.8
479.09744	1.1
499.13458	0.8
515.12793	1.4
517.14355	0.9
527.13104	0.9
545.14050	2.6
546.14392	1.0
561.14001	1.5
571.11890	2.4
572.12280	1.0
589.13013	86.9
590.13361	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.2
60.50484	0.1
71.13773	0.1
71.58826	0.2
72.99204	1.9
75.00764	100.0
76.01097	1.2
101.08583	0.1
120.87400	0.1
147.30722	0.1
253.09444	0.2
277.21826	0.4
279.22437	0.2
293.21350	0.4
352.23227	0.2
445.64725	0.1
589.16595	0.3
590.16779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.1
62.82706	0.1
63.06629	0.1
70.75055	0.4
72.99197	1.9
75.00764	100.0
75.28967	0.1
76.01099	0.9
78.95797	0.4
152.99507	0.3
194.93948	0.1
197.62399	0.2
237.44255	0.1
255.75597	0.1
268.97510	0.2
277.21753	0.7
278.22314	0.2
279.22775	0.2
304.13138	0.1
337.78687	0.1
361.40732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55971	2.2
54.62579	2.0
55.77119	1.8
57.03334	3.7
59.01266	100.0
61.98715	3.8
64.20664	1.9
71.01274	15.7
71.58456	2.9
72.99196	1.9
73.02837	5.6
78.71106	2.4
83.01268	5.8
85.02841	10.6
85.13049	2.0
93.03391	2.6
99.00800	5.0
101.02345	12.2
113.02334	8.8
134.03711	2.4
160.01675	2.5
161.04535	2.7
173.04515	4.1
175.03894	3.1
183.62215	2.0
196.94133	2.0
209.11729	2.8
209.51158	2.1
311.25903	2.2
341.27167	3.0
421.98053	2.1
449.28955	3.3
467.30228	10.1
485.31238	37.1
486.31717	6.1
503.32220	24.2
504.32584	4.9
545.33728	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	589.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.2
61.98724	7.0
66.81466	0.3
70.73495	0.6
70.73833	0.4
71.69928	0.3
72.69920	0.3
74.07343	0.3
74.34225	0.3
93.03356	0.7
129.82643	0.3
137.31221	0.3
166.92226	0.3
215.08658	4.9
216.08940	0.4
217.06589	2.5
229.06459	0.5
230.07343	0.7
230.52014	0.3
231.08112	0.8
231.65895	0.4
234.68529	0.3
235.07774	0.5
241.06592	0.8
243.08186	1.3
244.05336	0.5
245.06088	6.5
246.06425	0.8
253.09348	0.9
256.05350	1.8
257.06119	7.9
258.06885	12.3
259.07678	58.3
260.08035	6.0
269.06094	1.7
270.06735	0.5
272.04849	2.9
273.05630	56.3
274.06342	28.3
275.06708	2.3
284.04788	0.3
285.05603	0.5
286.06427	1.8
287.07199	100.0
288.07538	10.1
291.19745	1.2
292.20071	1.4
293.21140	1.0
300.04385	4.9
301.05124	95.4
302.05780	31.1
303.06305	2.6
314.06009	0.4
319.06131	1.0
387.90170	0.3
501.14807	0.6
515.12946	0.4
517.13928	0.4
543.12927	0.5
545.14001	4.5
546.14618	1.0
561.13403	1.0
588.37262	0.3
589.13043	71.9
590.13403	17.1
590.23114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25161	0.3
59.01264	9.5
61.98700	1.4
71.01273	3.2
71.47829	0.3
71.58108	0.7
73.02817	0.4
83.01273	0.6
85.02821	0.7
86.33260	0.3
87.00736	0.5
89.02323	3.1
96.95887	0.6
101.02349	4.2
102.18284	0.4
113.02339	2.1
119.03418	0.8
125.02431	0.4
125.05932	0.4
126.60954	0.4
143.03360	0.4
148.08914	0.8
150.10403	0.8
152.99567	0.4
161.04507	1.3
163.11229	0.6
164.61377	0.4
165.12804	14.2
165.42137	0.4
166.13155	0.8
171.10243	2.9
173.04597	0.7
175.11194	0.5
176.12025	0.4
179.03444	0.4
197.11855	1.9
223.51573	0.4
247.20694	6.8
248.20995	0.7
253.09325	14.7
254.09738	1.1
254.70927	0.4
273.18643	4.3
274.18710	0.5
291.19724	100.0
292.20047	10.6
330.10394	0.4
376.74728	0.4
527.28577	0.6
587.29340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06170	0.2
63.33507	0.2
63.63720	0.2
67.90334	0.2
70.34939	0.6
70.35322	0.3
75.64455	0.1
83.02069	0.2
93.03355	0.8
98.20459	0.2
149.81453	0.2
151.03955	0.2
160.47678	0.2
167.94141	0.2
245.06001	0.2
258.06870	0.4
380.08307	0.2
381.09134	0.9
382.09302	0.2
392.08569	0.4
393.08911	0.2
396.89713	0.2
405.09421	0.2
408.07977	0.6
409.08853	2.3
410.09106	0.5
431.10648	0.2
443.10770	0.2
445.12347	0.8
446.13373	0.9
447.13815	0.2
455.10727	0.6
456.11612	0.2
457.12540	1.1
458.13144	0.3
467.10303	0.4
471.09811	0.2
472.10718	0.4
473.11926	7.1
474.12408	2.9
475.12891	0.4
483.10364	0.5
484.11053	0.3
485.11896	1.4
486.12518	0.6
489.14993	0.2
498.20938	0.2
500.10782	0.5
501.03906	0.2
501.11404	7.7
502.12134	9.4
503.12610	1.5
511.09720	0.2
512.10931	0.2
513.11450	0.6
514.11969	0.7
517.14221	0.3
522.33795	0.2
529.10889	4.7
530.11615	4.0
531.12250	0.8
535.71313	0.2
547.11987	0.3
557.10352	0.4
561.13654	1.5
562.14130	0.5
572.12598	0.2
588.12018	0.5
589.13043	100.0
590.13379	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	11.5
60.83780	0.2
61.98705	0.9
62.63630	0.2
69.03346	0.4
71.01270	3.2
72.99190	0.3
73.02827	0.5
78.95769	0.3
83.01264	0.3
85.02847	0.8
87.00774	0.3
89.02338	2.6
96.95890	0.7
101.02353	3.1
113.02356	1.5
116.44096	0.3
119.03409	0.7
125.06019	0.3
129.92343	0.2
143.03398	0.3
148.08891	0.5
150.10397	0.5
151.11220	0.4
161.04510	0.9
163.11237	0.7
165.12810	13.1
166.13089	0.6
171.10213	0.9
175.11340	0.3
176.12137	0.3
177.12846	0.4
179.05591	0.4
191.14293	0.3
197.11850	1.0
225.54776	0.3
235.08206	0.5
247.20717	7.1
248.21127	0.5
253.09343	15.4
254.09654	0.7
273.18686	4.4
274.19043	0.3
291.19733	100.0
292.20093	9.3
332.65839	0.3
345.27969	0.2
421.10287	0.3
587.27826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52304	0.6
55.01777	0.6
57.04954	0.5
59.01264	14.1
61.98711	1.5
69.03336	0.6
71.01267	4.5
71.04906	13.6
71.05301	0.8
71.58343	0.8
73.02815	0.7
77.55295	0.5
79.48447	0.5
83.01273	0.6
89.02357	3.5
95.50689	0.5
96.95929	0.8
97.06487	4.3
101.02360	3.9
113.02370	2.1
118.18694	0.5
119.03433	1.1
135.08072	0.7
143.75430	0.5
161.04472	1.5
171.10292	0.8
179.05666	0.5
181.12259	0.9
195.13972	0.8
202.67339	0.5
207.13878	2.3
219.13930	1.5
235.08159	0.7
235.17056	1.9
247.20706	1.4
253.09311	15.7
253.11931	1.0
254.09538	0.9
273.18683	1.4
291.19724	100.0
292.20090	8.4
327.99710	0.5
477.53452	0.6
527.28784	6.1
528.29315	0.7
587.11469	1.5
587.36646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06308	0.5
57.03336	0.8
58.15392	0.5
59.01267	16.7
61.98685	1.0
65.15171	0.5
67.03526	0.5
71.01270	3.5
71.56149	0.5
71.56545	1.0
73.02832	0.8
85.02837	1.0
85.86739	0.6
87.00778	0.8
89.02340	3.3
93.03378	0.8
93.07021	0.7
97.06486	1.3
101.02347	3.8
113.02344	2.0
119.03414	1.0
121.02862	0.6
121.10155	5.2
125.09639	5.0
141.12843	0.6
147.08102	0.8
161.04472	1.1
173.04514	1.0
179.05647	0.7
185.11798	9.3
197.11780	2.0
209.11787	1.0
211.13391	1.9
247.20647	1.1
253.09315	15.0
254.09644	0.7
273.18774	1.7
291.19720	100.0
292.20056	9.5
292.23260	0.7
446.00092	0.6
499.04114	0.9
527.28723	9.4
528.29041	1.2
587.05377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.3
60.01618	0.3
61.01687	0.2
61.98716	100.0
62.98421	0.2
70.02715	0.9
72.27557	0.1
74.29213	0.2
78.95813	0.5
94.29732	0.1
96.09586	0.2
152.99548	0.4
161.44551	0.2
212.97076	0.2
270.96222	0.2
279.23337	3.9
280.23715	4.0
280.79437	0.2
281.23969	3.0
282.24200	1.4
308.65085	0.2
339.09998	0.2
368.51920	0.2
504.31046	0.9
505.31436	0.8
506.31586	0.5
507.31876	2.5
581.32629	0.2
592.49780	0.2
597.69989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94142	0.2
57.90411	0.2
58.05713	0.3
58.93470	0.2
59.01262	22.2
65.10950	0.3
65.15708	0.3
70.98389	0.5
71.01256	0.3
72.48394	0.2
78.95792	20.1
80.96402	1.9
115.26290	0.2
122.98410	0.3
139.85600	0.2
152.99507	2.8
164.98570	0.3
168.04268	3.2
171.92636	0.2
224.06923	8.4
242.07997	2.1
265.25293	0.3
283.26465	100.0
284.26804	9.8
304.85065	0.2
371.65884	0.2
508.34155	70.4
509.34482	11.4
523.30774	0.3
582.30243	2.4
583.30267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.6
61.98717	100.0
69.03333	1.1
71.01269	0.9
71.57754	0.2
73.02825	0.2
78.95788	0.3
83.01296	0.3
85.02850	0.4
85.15800	0.2
87.00822	0.2
89.02323	0.3
93.03362	0.4
95.01303	0.2
96.95928	0.6
97.02834	0.3
99.00797	0.3
101.02345	0.5
103.08017	0.2
111.04383	0.2
113.02377	0.3
116.92760	0.2
117.03380	0.2
123.04421	0.2
133.02872	0.4
134.03600	0.2
135.04462	0.4
137.02396	0.3
145.02921	0.5
154.08717	0.2
157.97440	0.2
160.01587	0.3
173.04529	1.8
177.01949	0.2
178.02615	0.2
179.03436	0.3
179.05588	0.2
185.00941	0.6
187.04114	0.2
191.05614	0.7
203.01775	0.2
228.85678	0.2
293.11865	0.2
320.54364	0.2
461.33240	0.2
526.36377	0.3
527.26202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34914	8.4
59.01254	34.5
61.98706	18.9
63.65215	8.5
68.71091	8.0
69.26801	21.0
69.27214	78.1
71.01290	21.9
72.99179	8.8
85.02843	15.0
93.03372	31.9
96.95903	9.8
113.02308	9.5
152.62431	8.8
173.04539	100.0
174.36922	9.2
191.05574	23.8
197.11723	18.5
203.06992	11.5
233.08286	15.0
253.09293	26.5
267.80963	9.0
279.63977	10.0
309.20755	45.6
367.41403	9.2
432.06177	10.1
488.29971	9.6
558.91516	9.9
581.28088	62.2
582.27295	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	581.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27516	0.3
59.01257	1.5
61.98707	0.6
63.96119	1.3
68.36036	0.3
69.03343	0.5
69.35880	0.3
71.01273	8.0
71.48576	0.8
73.02838	1.8
78.98483	6.1
79.95624	10.1
80.96409	64.8
81.03352	0.6
85.02857	3.3
87.00777	2.9
94.97985	17.3
95.01266	0.6
96.95921	2.4
97.02835	1.7
99.00763	0.9
99.04433	0.3
101.02345	3.2
106.98002	2.8
122.97491	6.1
125.02367	3.4
127.03909	0.9
134.97507	4.0
136.99092	1.2
148.99077	7.1
152.98575	7.8
164.98587	12.7
167.00204	0.9
182.99660	2.6
184.67461	0.3
188.98570	0.4
206.99698	3.3
215.80411	0.3
225.00748	20.0
226.01176	0.8
243.01746	1.9
244.19373	0.4
281.24921	3.6
283.26505	1.4
299.04453	3.4
371.07651	0.3
508.34369	0.4
565.17065	0.4
581.30115	100.0
582.30432	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	87.8
61.49925	9.2
61.98721	100.0
64.62431	8.8
69.03345	25.0
70.98292	14.7
70.98610	15.3
71.01273	32.2
71.25103	9.9
73.02824	13.9
78.95798	68.0
83.01315	9.3
83.43556	8.7
89.02358	17.2
93.03350	13.5
95.01288	12.0
96.95903	32.7
97.02858	16.1
101.02357	16.0
111.00752	11.7
111.01892	33.8
113.02349	19.9
116.32027	8.1
125.02397	11.2
133.02870	9.2
135.04407	18.2
145.02966	9.1
161.02365	16.0
173.04506	39.8
179.03300	13.8
185.00865	28.6
191.05602	24.5
207.50443	9.4
231.96706	17.1
243.38588	10.2
426.71042	11.9
496.95514	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	580.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	20.6
61.98722	8.8
63.99133	1.0
78.95798	25.7
94.47095	0.4
96.95279	0.7
96.95913	11.8
96.96857	1.1
98.95493	0.8
99.92487	0.7
104.92980	0.5
105.31033	0.4
115.91981	2.3
116.92764	1.9
152.99525	3.6
159.87477	0.5
168.04274	3.4
168.17110	0.4
168.44144	0.6
171.00558	0.9
179.89159	2.7
180.89943	2.0
196.89502	3.0
204.81117	0.5
224.06958	8.2
226.04837	0.5
232.42085	0.5
236.92677	1.1
242.08028	1.7
244.05595	0.6
281.24918	100.0
282.25284	9.6
282.28226	0.3
482.25961	0.6
506.32645	74.8
507.33014	10.5
507.40125	0.4
581.18420	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	580.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	15.2
61.98716	12.8
63.99145	1.4
64.03999	0.3
71.01257	0.4
78.95797	7.4
78.98486	0.2
79.95602	0.4
80.96401	2.8
83.73569	0.3
86.23406	0.3
86.33647	0.3
94.97966	0.6
96.95908	2.9
115.91947	0.4
116.92708	0.4
125.02328	0.4
152.98441	0.4
152.99507	1.9
164.98532	0.5
168.04237	1.6
179.89125	0.5
180.89946	0.4
196.89476	0.9
224.06938	0.9
225.00780	0.7
226.52992	0.3
236.92497	0.4
242.07982	2.6
281.24908	100.0
282.22046	0.4
282.25238	9.4
506.32611	34.9
507.33005	6.0
580.28864	5.1
581.18402	1.5
581.28723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65096	0.2
59.01247	1.1
59.18560	0.2
61.98714	100.0
78.95786	1.3
80.96258	0.2
101.77736	0.2
134.56342	0.2
136.02792	0.2
152.99471	0.3
205.29480	0.2
224.06943	0.4
225.07359	0.4
226.07446	0.2
258.78452	0.2
278.55136	0.2
279.23312	2.8
280.23746	2.5
281.23944	1.5
282.24307	0.9
466.49258	0.2
504.30884	1.3
505.31375	0.6
506.31503	1.4
507.31897	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	579.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62447	0.1
59.01259	1.5
60.01595	0.3
61.01681	0.2
61.98717	100.0
62.98443	0.2
69.42188	1.1
73.55202	0.1
78.95798	1.0
85.84250	0.1
93.88152	0.1
123.82740	0.1
127.08133	0.2
152.99510	0.6
168.04317	0.2
232.45464	0.1
242.08121	0.2
277.21777	4.1
278.22125	5.0
279.22440	3.8
279.25574	0.1
280.22736	1.6
310.74283	0.1
326.71701	0.1
502.29593	1.1
503.30121	0.9
504.30084	1.2
505.30426	2.6
530.91125	0.1
579.30750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3551
Annotation	Tokoronin
Peak:m/z	Relative Intensity
54.44347	0.7
57.03325	1.3
57.22029	0.7
58.00469	3.5
59.01263	53.7
60.98167	0.7
61.98722	4.1
71.01273	33.6
71.58167	0.9
72.99184	2.3
73.02836	0.8
77.68456	0.7
83.01267	1.7
85.02844	7.2
87.00762	1.8
89.02336	32.3
89.11301	0.9
93.03347	3.0
95.01271	2.2
101.01707	1.3
101.02345	21.1
105.64618	0.7
113.02360	12.4
119.03424	14.2
125.02332	0.7
131.03394	1.1
133.02821	0.7
134.03658	1.6
137.02457	0.8
141.66728	0.7
143.03438	1.9
149.04492	0.9
161.04433	1.8
173.04523	7.5
174.04865	1.4
179.05542	6.9
191.05510	1.0
192.04225	1.0
202.53030	0.8
289.18066	1.2
307.19183	0.8
399.29202	10.6
400.29733	1.2
405.18173	1.7
518.28772	0.9
579.35480	100.0
580.35840	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35925	0.6
59.01255	2.2
61.98709	1.6
63.96140	1.1
70.65231	1.8
71.01275	7.1
71.31646	0.5
73.02822	1.2
78.38868	0.6
78.95793	3.0
78.98482	7.0
79.95626	9.8
80.96410	65.6
81.03322	0.8
81.21393	0.5
82.48049	0.5
85.02843	3.6
87.00758	2.5
94.97989	15.4
96.95915	44.5
97.02831	1.3
99.00816	0.5
101.02345	2.7
106.97980	2.2
122.97498	3.3
125.02374	3.3
127.03930	1.0
134.97514	4.4
136.99068	2.1
148.99069	5.3
152.98540	5.3
152.99579	1.5
164.98587	11.6
206.99725	2.6
225.00758	15.6
241.17583	0.6
245.04337	1.9
253.21773	1.0
279.23376	1.9
281.24887	7.4
299.04514	2.8
339.44360	0.6
343.01352	0.8
443.07892	0.6
481.25696	2.0
506.32797	3.3
579.28577	100.0
580.28906	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.6
60.01603	0.2
61.01695	0.3
61.98716	100.0
69.30818	0.2
71.01269	0.4
71.25201	0.4
78.95795	2.2
78.98499	0.2
80.96413	1.7
81.95230	0.2
82.95987	1.1
96.97575	0.3
136.97137	0.2
142.96812	0.2
152.99556	0.5
168.04286	0.3
190.89499	0.2
224.06992	0.4
225.00874	0.2
225.07332	0.2
227.00395	0.3
277.21759	2.6
278.22137	3.1
279.22470	2.0
280.22678	1.1
281.53705	0.2
335.04327	0.2
387.64917	0.2
409.49173	0.2
432.56705	0.2
502.29593	1.5
503.30017	1.0
504.30121	1.5
505.30402	3.6
555.42944	0.2
579.27185	4.9
580.27802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.4
59.01261	20.5
60.54249	2.4
60.91329	2.4
61.86479	2.1
61.98727	12.3
63.51741	2.2
71.01272	14.5
71.59077	4.0
85.02864	5.1
86.44743	2.8
89.02361	11.8
93.03376	9.8
94.03733	2.9
97.02839	2.7
101.02348	9.5
113.02379	4.7
119.03334	4.8
125.09681	3.0
127.44043	2.3
133.02986	2.6
134.03653	6.0
135.04459	2.6
140.03311	2.2
148.19269	2.6
161.04494	4.9
162.20818	2.6
163.11246	3.7
173.04510	26.2
174.04924	5.9
175.04924	3.0
179.05605	3.4
185.11765	3.7
191.05727	3.5
191.14421	10.1
192.32005	2.2
207.10298	2.5
209.11833	4.0
217.91263	2.3
222.37482	2.5
225.11441	3.8
237.11365	6.9
245.19133	16.8
253.09329	46.3
254.09735	3.4
271.17172	3.4
275.09113	2.6
289.18161	97.7
290.15717	2.6
290.18454	13.4
307.19226	100.0
308.19620	14.3
399.28986	3.0
405.18130	4.2
474.20709	3.1
525.27081	8.1
543.28503	7.9
579.25720	16.3
579.35577	15.8
580.26111	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01390	16.1
59.01261	21.1
61.98719	42.3
69.26527	81.6
69.26957	44.9
71.01267	17.8
77.86138	10.3
93.03370	45.9
98.20577	21.3
133.02866	14.6
134.03622	30.3
173.04506	100.0
178.02655	17.1
191.05614	21.2
211.13493	18.3
236.04112	11.2
253.09274	27.8
275.09259	17.6
289.18320	54.7
307.19327	20.7
347.42685	11.5
426.73132	14.1
444.27307	11.7
498.28918	28.5
579.26270	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33496	0.3
59.01260	1.1
61.98715	0.8
62.54459	0.3
62.76415	0.3
63.96120	1.4
69.03341	0.4
70.02203	1.5
71.01266	6.6
73.02831	1.7
75.42671	0.3
78.95786	1.3
78.98479	5.8
79.95624	8.9
80.96407	64.0
81.03358	0.8
83.01283	0.3
85.00304	0.3
85.02844	3.5
86.71590	0.3
87.00768	2.3
94.97977	15.0
96.95898	4.0
97.02846	1.3
99.00716	0.3
101.02343	2.4
106.97975	2.8
113.02333	0.5
122.97497	5.5
125.02383	2.1
127.03906	1.0
134.97504	4.5
136.99057	1.4
146.00049	0.3
146.97559	0.5
148.99072	5.6
149.99280	0.3
152.98561	8.0
152.99506	0.4
153.98914	0.3
164.98572	11.7
165.34120	0.3
165.58553	0.3
167.00145	0.7
177.23724	0.3
182.99718	2.1
184.10699	0.3
206.51608	0.3
206.99686	2.6
214.83974	0.3
225.00746	17.4
226.01082	0.6
243.01720	1.7
244.16469	0.3
249.53296	0.3
279.23288	3.2
281.24802	0.9
299.04510	2.9
316.68820	0.4
413.33041	0.3
579.28540	100.0
580.28888	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	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22227	0.1
59.01263	17.1
60.01587	0.1
69.27619	0.9
69.28043	0.5
70.52182	0.1
71.01280	0.2
78.95794	6.0
79.95617	0.3
80.96409	1.7
87.70502	0.1
94.97982	0.5
104.49402	0.1
148.99037	0.2
152.99533	1.3
154.89417	0.2
161.45094	0.1
164.98624	0.3
168.04279	1.6
188.00813	0.1
224.06935	1.2
225.00664	0.3
242.07990	2.5
261.22238	0.4
275.58469	0.1
279.23337	100.0
280.23691	9.9
504.31067	34.3
505.31387	5.1
519.27100	0.2
578.27368	2.5
578.34595	0.1
579.27161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99499	0.3
57.83257	0.2
59.01264	24.1
60.01610	0.3
61.98713	1.8
63.99111	0.2
70.65347	0.8
78.95795	22.3
96.96857	0.2
101.27663	0.2
122.02654	0.2
122.98456	0.3
134.98373	0.2
140.04184	0.2
152.99539	3.0
158.02838	0.2
168.04265	3.3
224.06941	8.6
225.07242	0.4
242.08054	2.3
261.22467	0.4
264.41766	0.2
279.23346	100.0
280.23691	10.5
280.26230	0.2
358.28506	0.2
363.97928	0.2
442.70776	0.2
504.31085	78.7
505.31418	12.6
532.79004	0.2
547.73456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16570	1.2
59.01272	4.2
61.98714	8.0
67.01779	4.1
69.54416	8.5
71.01286	3.6
78.95794	100.0
83.11295	1.4
90.11301	1.4
93.03362	22.8
94.03715	5.2
96.96866	8.2
111.04459	3.4
122.98455	1.5
133.02911	2.3
134.03700	6.0
135.04411	2.1
137.02426	4.4
152.99544	13.5
154.19978	1.4
155.03593	1.5
171.00575	16.7
173.04512	68.7
174.04854	20.6
175.04985	10.1
177.01865	1.9
178.02773	1.8
191.05693	2.6
192.04410	1.7
235.55316	1.5
247.41223	1.4
253.09421	2.3
268.09656	2.5
275.09473	1.6
289.18344	3.9
307.19241	5.1
405.18530	3.2
578.31848	3.0
579.14783	2.7
579.31891	57.9
580.32031	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	577.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23531	0.3
53.67527	0.2
59.01266	13.5
69.67128	2.1
71.01266	2.9
73.02840	0.7
85.02843	0.6
86.95669	0.3
87.00745	0.3
88.28598	0.3
89.02343	2.7
98.19763	0.3
101.02352	2.9
102.46200	0.3
113.02340	1.3
119.03423	0.9
161.04494	0.9
179.05534	0.3
235.08244	1.9
253.09334	14.5
254.09592	0.6
281.24911	100.0
282.25290	11.0
382.95346	0.3
409.85434	0.3
503.43365	0.3
517.33691	0.8
588.70532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01251	0.6
61.98709	1.1
67.01775	1.2
69.03358	0.5
71.01277	0.7
71.57868	0.5
78.95794	100.0
83.04922	0.5
93.03353	6.8
94.03703	1.6
95.60899	0.3
96.96857	8.3
102.71014	0.4
107.20496	0.3
109.02798	0.5
111.04402	1.8
122.98468	0.9
127.03914	0.3
127.11191	0.9
133.02856	1.4
134.03674	10.7
135.03923	3.3
137.02382	1.1
138.02805	0.4
150.97888	0.4
152.99525	14.3
155.03394	1.1
156.03766	0.5
161.02419	0.4
167.14426	1.7
168.13887	1.3
171.00606	18.3
172.00957	0.4
173.04510	18.6
174.04851	5.0
177.01894	0.7
178.02571	1.3
179.03073	0.5
192.04257	2.6
193.04663	1.3
193.12292	0.6
194.05939	0.8
194.12617	0.4
210.66951	0.4
211.13382	1.1
219.36365	0.4
229.14471	1.3
238.04907	0.5
241.18060	1.3
248.23448	0.3
268.09616	2.9
279.38324	0.4
282.20862	0.5
300.16919	0.4
312.12122	0.6
351.48392	0.3
366.16910	1.0
390.16336	0.4
403.17545	3.4
404.18042	10.1
405.18213	1.1
578.31091	54.0
579.31470	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.1
63.96122	0.9
64.39820	0.3
69.03349	0.7
70.02982	0.6
70.03338	1.4
71.01267	7.9
73.02836	1.7
78.98483	5.9
79.95625	10.3
80.96410	71.3
81.03350	0.8
85.02844	3.1
87.00776	2.6
90.21751	0.3
94.97984	17.1
95.01301	0.6
96.95921	0.9
97.02848	1.6
98.20551	0.3
99.00784	0.6
101.02345	2.8
106.97993	3.4
107.63204	0.3
111.20488	0.3
113.02358	0.6
122.96585	0.4
122.97495	5.9
125.02365	3.4
127.03918	0.7
134.97507	4.3
136.99075	1.1
148.99101	6.1
152.98586	7.8
164.98587	11.5
174.00386	0.3
182.07370	0.3
182.99687	2.6
188.98549	0.4
206.99673	3.5
225.00758	16.6
226.01006	0.6
243.01805	1.4
277.05814	0.3
277.21820	2.5
299.04486	2.5
313.07016	0.3
401.77750	0.3
493.47681	0.4
577.26996	100.0
578.27325	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	578.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.7
61.98717	100.0
62.98422	0.2
67.25751	0.1
69.37789	0.4
69.38206	0.7
71.01289	0.2
78.95811	0.3
79.95638	0.3
80.96404	1.4
89.02351	0.2
94.97977	0.3
96.95917	1.4
101.02390	0.1
139.44070	0.1
145.51425	0.1
148.99159	0.1
152.98535	0.1
152.99586	0.1
164.98633	0.2
223.85457	0.1
225.00801	0.3
253.09503	0.3
254.09694	0.3
255.09900	0.2
279.23337	1.6
280.23703	2.6
281.23950	1.7
282.24274	0.7
417.99118	0.1
439.77725	0.1
481.26114	0.2
579.28589	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	578.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
61.98714	100.0
66.35257	0.2
71.51070	0.3
75.43674	0.2
78.95791	1.1
79.95610	0.3
96.95905	11.4
152.99577	0.5
179.59190	0.3
194.93733	0.4
245.04381	0.4
248.49095	0.2
255.09758	0.3
279.23364	1.4
279.32431	0.3
280.23697	2.7
281.23987	1.6
282.24301	0.5
343.01163	0.4
371.36777	0.2
409.64105	0.2
481.25754	0.7
579.18811	0.3
601.37598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.2
63.85144	0.3
63.96125	1.3
69.03335	0.8
70.11803	1.5
71.01271	7.7
72.69572	0.3
72.99171	0.3
73.02834	2.1
75.08105	0.3
76.46982	0.3
78.98038	0.6
78.98478	6.0
79.95204	0.2
79.95619	11.3
80.96407	76.5
81.03339	0.9
85.02843	3.1
87.00782	2.8
91.03915	0.3
94.25346	0.3
94.97977	17.8
96.95911	1.2
97.02850	2.0
98.20444	0.6
99.00774	0.5
100.18975	0.3
101.02332	3.3
106.97991	3.9
113.02370	0.5
122.97485	6.8
122.98324	0.6
125.02373	4.0
127.03902	0.8
134.97496	5.1
136.99069	1.5
146.97519	0.3
148.99071	6.7
152.98569	8.3
164.98569	12.8
167.00162	0.7
176.15854	0.3
176.89688	0.4
182.99611	2.8
206.99657	2.9
225.00743	18.7
226.01129	0.7
243.01750	2.1
277.21735	3.0
299.04449	3.2
577.26984	100.0
578.27307	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46175	0.3
53.93497	0.3
59.01266	15.0
61.98723	1.5
63.96119	1.2
69.03378	0.3
71.01266	5.8
71.49149	0.8
73.02836	1.1
78.95798	7.1
78.98481	5.2
79.95624	7.4
80.96409	50.5
81.03355	1.0
81.96312	0.4
85.02843	2.4
87.00764	2.0
87.25038	0.3
93.03321	0.4
94.97989	11.1
96.95931	0.9
97.02823	1.0
98.95474	0.4
99.00803	0.6
99.74920	0.3
101.02345	1.9
106.98010	2.6
122.97511	2.5
122.98277	0.4
125.02389	1.9
127.03908	0.8
134.97508	3.7
136.99062	1.2
148.99097	3.8
152.98549	4.3
152.99570	1.6
164.98589	8.8
166.18066	0.3
167.00101	0.6
168.04274	1.2
178.70555	0.3
188.98517	0.3
196.89519	0.3
206.99706	1.6
224.06981	1.0
225.00743	11.6
226.00996	0.4
242.08064	2.8
243.01698	0.4
251.47787	0.3
261.22067	0.3
277.21780	1.0
279.23346	100.0
280.23709	0.6
299.04559	2.6
476.27917	0.8
504.31073	36.4
577.27020	76.7
578.27313	16.1
578.36469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07363	0.4
53.07632	0.4
53.31978	0.4
57.03342	0.8
59.01249	2.1
60.99182	0.9
61.98713	1.2
67.01513	0.4
67.01785	4.4
69.03345	1.3
71.01268	2.6
71.59164	0.7
72.74702	0.4
73.14101	0.4
78.95773	0.5
81.03335	1.0
83.04912	1.2
85.02834	0.7
93.03361	29.5
94.03693	1.1
95.01331	0.5
96.33031	0.4
105.03361	0.5
109.02872	1.3
111.00809	0.9
111.04425	5.2
112.27904	0.4
116.92659	0.5
122.48306	0.4
124.01620	0.6
133.02892	4.5
134.03671	8.0
135.04456	6.8
137.02376	6.5
139.03976	0.7
151.03954	0.9
155.03436	3.8
173.04510	100.0
174.04866	3.4
177.01877	1.6
178.02664	6.6
179.03496	2.6
191.05602	1.3
192.04213	2.1
199.13402	0.6
247.21011	0.4
253.09283	0.9
277.21939	0.6
295.22803	3.3
307.08487	0.7
308.09045	1.8
327.16296	0.7
352.08057	8.1
353.08243	0.5
359.18451	0.7
403.17627	4.6
404.17892	0.8
550.41449	0.5
577.23328	1.9
578.31372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.1
57.97351	0.2
59.01267	1.2
60.99179	0.8
61.98709	0.3
65.03837	0.4
67.01775	5.3
69.03329	1.0
69.24353	1.8
71.01269	3.3
71.04884	0.2
80.48776	0.1
81.03360	0.9
83.01273	0.2
83.04916	0.9
85.02849	0.7
87.00787	1.0
93.03359	31.3
94.03685	0.6
95.01261	0.2
99.00784	0.3
99.04414	0.3
101.02370	0.2
105.03317	0.3
109.02856	1.1
111.00788	0.8
111.04428	4.8
113.02340	0.4
127.03914	0.4
133.02884	1.0
134.03664	10.0
135.04507	1.4
137.02370	4.3
138.02780	0.2
150.05220	0.2
155.03444	4.4
161.02380	0.4
162.03171	0.4
172.59531	0.1
173.04510	100.0
174.03358	0.2
174.04846	3.8
177.01871	1.0
178.02702	1.0
179.03357	0.2
191.05580	0.4
192.04230	2.5
193.04779	0.2
193.12323	0.3
220.80022	0.2
225.14882	0.4
253.09309	0.3
293.21222	0.3
294.21411	0.3
299.16367	0.2
308.09149	0.2
311.04675	0.1
327.16028	0.4
352.08145	0.4
371.14911	0.2
389.16293	0.2
393.12122	0.1
403.17682	7.6
404.18118	1.0
452.06906	0.2
577.22894	3.0
578.23218	0.5
595.39807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.5
60.01589	0.1
61.98718	100.0
62.40838	0.1
65.06546	0.1
70.92200	0.2
153.29913	0.1
157.96259	0.1
172.66672	0.1
221.73834	0.1
253.09448	0.2
254.09711	0.2
255.09932	0.3
277.21817	1.1
278.22153	2.3
279.22421	1.5
280.22696	0.7
514.40295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17228	0.2
59.01265	21.9
60.01595	0.2
70.31852	0.6
78.95793	7.1
83.04899	0.3
106.01148	0.2
122.25956	0.1
127.07528	0.2
152.99513	1.4
165.25363	0.1
168.04268	1.8
169.09552	0.2
182.13336	0.2
205.19461	0.2
224.06924	1.0
233.22778	0.5
242.08035	3.1
243.08357	0.2
259.20682	0.5
275.20233	0.4
277.21771	100.0
278.22122	10.9
384.60516	0.2
393.81625	0.2
502.29514	39.5
503.29886	5.9
508.74576	0.2
512.95972	0.2
515.95380	0.2
517.25537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55214	0.2
54.79205	0.2
59.01264	31.8
60.01617	0.3
62.96289	0.2
69.27434	0.3
69.27837	1.7
71.01286	0.5
78.95794	30.6
78.98452	0.3
79.95628	0.5
80.96410	3.6
85.02861	0.2
94.97991	0.6
96.96815	0.4
98.20588	0.5
106.97944	0.2
122.97601	0.2
122.98441	0.6
152.98517	0.3
152.99538	4.6
164.98575	0.6
168.04257	4.7
193.26997	0.2
199.44800	0.2
224.06941	11.0
225.00754	0.9
233.22783	0.6
242.08011	2.5
259.20660	0.6
262.02148	0.2
275.20273	0.8
277.21780	100.0
278.22125	10.0
299.04688	0.2
403.90680	0.2
502.29510	83.9
503.29843	14.0
503.35962	0.2
517.25934	0.3
577.27002	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1367
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
50.23363	0.9
53.79549	0.9
53.80495	1.0
57.03333	13.2
57.98690	0.9
59.01252	2.7
62.57338	0.9
63.74004	1.2
69.81259	1.4
69.81662	5.9
71.01250	1.4
75.49563	1.0
78.06902	0.9
78.95793	2.8
81.03356	2.3
83.01277	4.1
85.02853	1.2
86.06179	0.9
93.03348	2.0
95.04913	3.0
96.95930	1.4
97.02852	4.1
98.20531	2.1
107.04903	1.6
109.02866	22.0
110.12621	0.9
121.02841	3.2
122.03712	1.5
123.04424	13.4
123.11071	1.1
125.02369	100.0
126.02673	4.0
133.02893	3.5
135.04468	3.3
137.02376	17.5
139.03978	2.3
143.04988	1.4
147.04512	1.8
149.02383	6.9
151.03961	14.7
152.99576	2.4
158.03699	1.1
159.04504	2.4
160.05267	1.5
161.02394	29.0
161.05986	4.2
162.03178	1.8
163.00356	2.2
163.03967	4.4
164.01097	5.2
165.01936	5.3
166.02660	1.2
167.03435	1.3
171.10229	4.4
173.04526	2.5
175.03958	8.6
175.07613	1.5
177.01868	6.0
177.05556	1.3
178.02563	1.3
179.03499	4.1
187.04021	7.1
188.04724	3.2
189.05450	1.5
201.05518	1.5
203.03476	2.3
203.07126	10.1
205.01379	2.2
205.05025	6.2
213.05473	1.6
214.02751	1.2
215.03473	1.9
217.05074	2.3
217.08681	1.2
221.08203	1.3
227.03516	2.2
227.07184	1.7
228.04283	1.4
229.04985	2.5
241.01138	1.8
243.02895	2.7
243.06592	2.2
245.04509	3.9
245.08226	13.7
247.06200	2.0
255.03001	10.6
256.03824	3.5
257.04538	2.4
269.04654	2.5
271.05945	1.1
273.04187	5.0
281.04645	2.7
283.02457	2.2
285.04102	3.1
287.05667	8.1
288.06073	1.4
289.07248	61.3
290.07565	5.5
297.03943	1.7
299.05679	6.2
329.06827	2.0
339.08755	4.1
381.09766	2.9
407.07816	59.5
408.08197	9.8
425.08850	28.7
426.09143	3.8
451.10501	14.2
452.10828	1.5
487.15933	4.6
559.18451	1.7
577.12396	5.9
578.14203	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	573.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40047	0.5
56.85109	0.5
59.01258	0.8
61.61866	0.5
61.98713	1.2
65.03848	0.6
68.75835	0.5
70.81963	0.8
70.82320	1.1
79.62805	0.5
80.31833	0.5
93.03357	56.4
94.03690	1.5
97.29692	0.5
101.36359	0.5
230.07442	1.2
233.06091	0.6
243.08160	2.1
257.06079	1.2
258.06894	48.1
259.07556	15.7
260.07996	1.9
269.06552	1.4
271.07602	1.7
273.05542	1.2
277.21719	0.8
285.05609	4.4
286.06424	15.2
287.07199	18.5
288.07434	1.4
297.05789	0.7
301.04993	1.9
378.10608	1.0
379.11301	1.8
385.72644	0.6
393.09250	1.0
394.09854	0.7
395.10843	1.2
405.09000	1.1
406.10083	2.2
407.10638	1.6
422.09756	0.7
423.10358	5.5
424.10675	1.8
433.08847	0.7
435.10364	6.4
436.10690	1.4
451.09604	5.6
452.10104	1.4
473.15720	0.6
479.09357	16.5
480.09714	3.4
489.15317	0.9
499.13474	0.8
501.14780	2.9
511.13470	1.4
527.13257	1.6
529.14606	2.6
545.14136	5.8
546.14160	0.8
554.11591	1.3
555.12457	16.8
556.13062	4.3
573.13550	100.0
574.13855	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	573.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
59.01263	23.8
65.03825	0.6
71.01275	3.7
71.33829	0.9
73.02844	0.9
83.01273	0.8
85.02848	0.6
87.00769	0.5
89.02328	2.3
101.02350	2.4
113.02345	1.4
119.03461	0.7
126.64060	0.5
157.05054	0.7
161.04501	0.7
196.58046	0.5
235.08214	2.2
239.27991	0.6
253.06703	1.0
253.09332	17.5
254.09688	1.1
277.21780	100.0
278.22110	11.0
303.14188	0.5
368.93063	0.5
405.85547	0.5
454.04324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74478	0.2
54.85376	0.2
55.01767	0.8
57.03343	1.6
58.00484	2.9
59.01264	100.0
60.01599	1.2
60.99184	0.2
61.98712	0.2
67.01778	0.2
69.03345	1.9
71.01270	58.1
71.16293	0.3
72.01617	1.0
72.99199	3.8
73.02836	23.7
74.03201	0.3
74.65910	0.2
75.00763	1.3
78.95797	0.5
81.03351	0.4
83.01276	7.7
84.02071	0.3
85.02845	14.5
86.03179	0.4
87.00779	2.2
88.98662	0.2
89.02337	40.8
90.02677	0.5
93.03329	0.3
95.01285	5.8
96.01651	0.2
96.95930	0.4
97.02876	1.1
99.00797	0.8
99.04438	0.4
101.02345	40.5
102.02682	0.9
107.03453	0.2
110.48643	0.2
111.00838	0.2
113.02357	37.7
114.02708	0.8
115.03910	0.2
116.92780	0.4
119.03417	15.5
120.01160	0.5
120.03752	0.3
125.02355	1.5
131.03429	5.3
143.03438	4.9
143.04568	0.3
144.03781	0.2
147.02927	0.6
149.04501	5.2
155.03433	0.7
156.03818	0.2
161.04501	9.7
162.04837	0.2
173.04498	0.5
179.05576	6.3
191.05579	0.4
203.05595	0.5
214.32130	0.2
221.06631	1.3
239.26190	0.2
311.45169	0.2
353.19827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68055	0.1
58.53382	0.1
59.00029	0.1
59.01258	0.9
60.01582	0.1
61.01701	0.1
61.98717	100.0
62.98424	0.1
70.19501	0.2
70.19915	0.3
71.01265	0.2
78.98479	0.1
79.95610	0.2
80.96403	1.2
94.97970	0.3
101.02413	0.1
119.50566	0.1
131.52446	0.1
143.98711	0.1
148.99136	0.1
164.98592	0.3
174.66461	0.1
206.06944	0.1
225.00755	0.2
242.89227	0.1
253.09363	0.3
254.09674	0.3
255.09862	0.4
277.21765	1.8
278.22101	2.7
278.24979	0.2
279.22427	1.5
280.22690	0.8
282.68555	0.1
385.55313	0.1
577.26990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3814
Annotation	Exophilin A
Peak:m/z	Relative Intensity
59.01263	80.0
60.01593	1.0
61.98709	1.4
66.26978	0.4
78.95787	0.6
85.02841	14.6
99.08051	6.0
125.09692	0.5
152.99484	0.4
167.10719	1.5
173.04576	0.5
185.11797	23.4
186.12164	0.9
203.12865	100.0
204.13191	5.9
244.52464	0.4
245.13977	5.6
246.14357	0.4
255.23291	0.4
271.15561	1.0
279.23370	2.8
279.35867	0.4
291.27972	0.4
353.23282	1.5
371.24414	6.8
372.24603	0.4
389.21106	0.5
389.25565	5.4
390.25818	1.0
457.64951	0.5
557.36823	0.8
575.30048	0.7
575.38086	5.9
576.38623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01265	8.3
61.98711	1.3
69.03339	1.0
70.93701	0.6
71.01263	3.0
72.99194	0.4
73.02836	0.9
78.95784	0.2
81.03335	0.3
83.01296	0.4
85.02832	1.5
85.34243	0.2
86.81255	0.2
87.00788	1.5
89.02340	1.8
90.03581	0.2
93.03345	0.5
95.01301	0.4
96.95905	2.2
97.02853	0.4
97.24745	0.2
99.00770	0.9
99.04400	0.3
101.02334	2.0
109.02925	0.3
110.92090	0.2
113.02357	2.4
115.55789	0.2
116.92764	0.3
117.03371	21.2
118.03712	0.9
119.03432	0.4
119.04904	1.7
120.04333	0.2
123.04429	0.3
124.01598	0.3
125.02393	0.5
133.02866	0.2
135.04480	0.4
137.02374	0.3
139.03951	0.3
143.03427	0.4
145.02882	100.0
146.03221	5.8
146.04327	0.4
155.03427	0.2
159.02965	0.3
161.04515	0.9
163.03943	3.3
173.04466	1.3
174.01659	0.2
175.03925	0.3
179.05605	0.6
185.00943	0.7
191.05602	0.8
307.08411	0.5
323.09891	1.0
365.11087	1.8
373.25699	0.3
383.11920	0.4
511.14719	2.8
512.15314	0.4
529.15771	0.6
571.16663	3.4
571.24664	0.5
572.16705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04157	0.2
53.02594	0.2
54.53465	0.2
59.01264	4.9
61.98717	0.7
69.03347	0.3
71.01266	1.8
73.02857	1.1
83.01273	0.5
85.02856	0.7
87.00778	1.2
89.02294	1.1
96.95907	2.2
99.00779	0.3
101.02349	1.5
113.02351	1.0
117.03379	24.2
118.03725	1.0
119.03492	0.3
119.04939	5.5
120.05283	0.3
131.03447	0.3
143.03447	0.4
143.05035	0.3
145.02888	100.0
146.03246	4.2
155.03358	0.3
161.04497	0.5
163.03964	6.3
164.04260	0.3
166.05051	0.4
173.04559	0.3
176.54675	0.3
179.05621	0.3
181.04964	0.2
185.00864	0.3
191.05489	0.2
198.39418	0.2
205.05046	0.2
217.05028	0.4
307.08292	3.1
308.08630	0.3
313.42792	0.2
341.10718	0.6
383.12259	1.1
491.95908	0.2
492.48798	0.2
508.57605	0.3
511.14664	3.1
512.15033	0.5
529.15710	3.9
530.15979	0.4
571.16766	8.9
572.17059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.2
57.03328	0.3
59.01265	8.2
61.98711	0.5
67.11143	0.1
69.03346	2.1
69.47272	0.4
69.47685	0.8
71.01269	2.4
72.99187	0.4
73.02840	0.8
75.00763	1.2
78.95790	0.2
83.01286	0.7
83.04920	0.2
85.02843	1.6
87.00770	1.1
89.02341	1.1
89.16800	0.1
93.03370	0.3
95.01294	0.4
96.95909	1.2
97.02851	0.5
98.95488	0.1
99.00754	1.0
101.02346	1.8
111.00800	0.2
113.02364	1.8
116.92776	0.3
117.03378	22.2
118.03705	0.9
119.03402	0.2
119.04939	1.6
121.02834	0.3
123.04411	0.3
125.02358	0.4
127.03865	0.1
135.04453	0.1
136.94530	0.1
137.02364	0.2
141.01854	0.3
143.03438	0.3
145.02890	100.0
146.02058	0.3
146.03226	4.9
155.03479	0.1
161.04500	0.5
161.05788	0.2
163.03960	3.0
164.01003	0.1
173.04553	0.6
173.05956	0.2
174.04916	0.2
179.03375	0.2
179.05579	0.3
185.00806	1.3
191.05638	0.3
209.11835	0.2
210.71292	0.1
223.09853	0.4
227.03532	0.2
249.31874	0.2
284.37698	0.1
285.03989	0.2
289.07343	0.4
305.08963	0.3
307.08243	0.2
323.09875	1.1
349.09348	0.6
365.10895	2.4
366.11368	0.3
385.14972	0.2
425.12625	0.3
489.10318	0.2
511.14694	3.6
511.22974	0.2
512.15271	0.4
529.15851	0.7
535.31537	0.3
571.16956	3.9
571.30200	0.2
572.17139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1356
Annotation	Anigorootin
Peak:m/z	Relative Intensity
54.61604	0.2
70.04043	1.0
88.80441	0.2
93.03358	6.0
131.05301	0.2
153.21147	0.2
215.08644	0.4
219.08295	0.3
230.07384	0.7
241.06674	0.5
241.60083	0.2
242.07236	0.2
243.08153	0.9
257.06131	2.8
258.06900	16.7
259.07620	6.0
260.08078	0.4
264.91360	0.2
269.06116	0.4
270.06909	0.5
273.05701	0.3
277.21835	0.3
285.05634	4.6
286.06354	3.7
287.07202	6.2
287.10434	0.4
288.07635	0.6
391.51407	0.2
396.11560	1.4
397.12064	0.3
407.10614	0.3
408.11517	0.4
423.10596	0.3
424.11102	4.3
425.11542	0.6
433.08710	0.3
435.10580	0.4
451.09787	0.4
452.10223	0.3
461.15582	0.5
471.13705	0.7
472.14780	0.6
473.15619	1.3
474.16290	0.3
481.12463	0.2
483.13782	0.6
485.15781	0.3
487.13806	0.3
488.14252	2.7
489.15005	3.1
490.15417	0.5
498.12686	0.4
499.13467	1.3
500.14221	0.7
501.15085	5.7
502.15384	1.3
509.12573	0.3
510.12677	0.5
511.13882	0.5
512.13690	0.3
516.07404	0.2
516.13751	6.9
517.14532	13.0
518.15076	2.4
525.11346	1.1
526.12189	0.6
527.13037	2.0
528.13513	0.8
529.14581	5.8
530.15070	0.9
545.14087	18.4
546.14423	4.1
553.11078	0.7
554.11670	5.7
555.12384	3.3
556.12927	0.9
573.13562	100.0
574.13898	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	571.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
57.03335	0.2
59.01263	5.8
61.98721	0.7
69.03345	1.1
71.01268	2.7
71.29156	0.3
72.99210	0.2
73.02843	0.4
75.00756	0.7
81.03350	0.2
83.01276	1.3
85.02843	0.9
87.00761	0.6
88.98697	0.2
89.02332	2.3
93.03358	0.5
95.01292	0.3
96.95915	1.8
97.02863	0.3
98.95509	0.2
99.00775	0.5
99.04440	0.2
101.02338	1.7
105.16700	0.1
113.02353	1.8
115.91985	0.2
116.92793	0.3
117.03376	25.1
118.03693	1.2
119.03431	0.6
119.04939	5.4
120.05252	0.3
121.02872	0.2
125.02344	0.3
131.03461	0.1
131.04863	0.1
135.04430	0.3
138.05490	0.1
141.01889	0.2
143.03415	0.3
145.02885	100.0
146.03227	5.1
149.04425	0.1
161.04492	0.3
163.03955	8.9
164.04269	0.5
173.04475	0.5
173.05942	0.2
179.05524	0.8
182.56767	0.1
185.00854	0.5
187.04012	0.3
191.05566	0.3
192.06090	0.1
193.04987	0.2
205.04932	0.3
217.04984	0.2
224.36153	0.1
235.06183	0.2
272.23163	0.2
307.08231	0.4
323.09946	0.4
341.10965	1.7
349.09335	0.5
365.10773	0.2
383.12054	0.4
469.13675	0.3
487.14792	0.4
493.17285	0.4
511.14584	3.0
512.15173	0.5
529.15735	2.5
530.16010	0.4
571.16766	10.4
572.17090	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	571.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31954	0.1
57.03333	0.2
59.01266	8.8
61.98722	0.2
64.15192	0.1
65.48209	0.1
69.03345	0.8
69.34654	0.1
70.34081	0.2
70.34467	0.2
71.01272	1.9
71.42085	0.1
72.99188	0.2
73.02842	0.6
75.00761	0.2
78.95782	0.2
83.01266	0.5
85.02853	1.4
87.00771	1.0
89.02341	1.1
89.03857	0.2
93.03375	0.3
95.01299	0.3
96.19571	0.1
96.95914	1.9
96.96876	0.2
97.02843	0.3
98.20533	0.1
99.00790	0.6
99.04408	0.1
101.02339	1.2
111.00835	0.1
113.02367	1.8
116.02557	0.1
117.03375	24.8
118.03709	1.0
119.03456	0.3
119.04935	2.5
121.02877	0.3
123.04392	0.2
125.02406	0.2
131.03471	0.1
137.02386	0.1
141.01848	0.2
143.03435	0.4
145.02888	100.0
146.03232	4.5
146.04166	0.1
157.69557	0.1
159.02905	0.2
161.04532	0.5
163.03952	3.0
164.04272	0.2
173.04532	0.4
174.01682	0.6
175.03952	0.1
179.05605	0.2
183.02910	0.2
185.00816	0.6
185.06104	0.1
187.03961	0.2
191.05519	0.3
215.03563	0.1
215.07184	0.2
217.05133	0.1
221.06606	0.1
236.52968	0.1
277.07129	0.1
289.07217	0.5
305.09012	0.2
307.08224	0.3
323.09860	0.8
349.09341	0.9
365.11108	0.8
383.12082	0.3
425.12976	0.2
451.12677	0.5
469.13699	1.2
470.14450	0.1
511.14661	5.1
512.14978	0.8
529.15643	1.8
530.15778	0.3
535.99139	0.1
571.16760	4.4
572.17218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42205	0.2
56.57137	0.2
59.01268	4.0
69.03349	0.3
69.42035	0.5
69.42461	1.0
71.01272	2.0
73.02835	0.5
83.01276	0.9
85.02862	0.7
87.00768	0.6
89.02342	1.7
93.03378	0.3
95.01298	0.3
96.95920	2.2
97.02858	0.2
98.19833	0.4
101.02364	1.2
113.02359	1.6
117.03377	21.5
118.03696	0.9
119.03521	0.4
119.04945	6.0
120.05258	0.3
121.02852	0.2
125.02338	0.3
143.03458	0.3
145.02890	100.0
146.03220	4.6
161.04515	0.3
161.05969	0.2
163.03957	9.5
164.04251	0.3
167.15373	0.2
173.04568	0.3
173.06023	0.2
176.94891	0.2
179.05553	0.6
187.04071	0.2
191.07135	0.3
203.46223	0.2
205.04900	0.2
208.09006	0.2
217.05009	0.5
235.06204	0.4
258.90332	0.2
271.02481	0.2
301.03369	0.3
307.08301	4.0
308.08600	0.3
323.01764	0.3
323.09805	0.2
325.09274	0.2
341.11035	1.5
342.11502	0.3
342.22174	0.2
383.12082	0.4
469.13660	0.6
487.14587	0.5
511.14597	2.0
512.15210	0.2
529.15674	5.2
530.16187	0.7
571.16797	14.4
572.17249	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	569.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31569	0.2
58.90604	0.3
59.01265	100.0
59.73698	0.3
60.01598	1.1
69.03339	0.8
69.25767	1.0
69.26192	2.2
71.01277	3.4
73.02837	3.5
75.78520	0.3
83.01286	1.7
85.02862	1.1
87.00764	3.2
89.02325	1.8
96.95920	3.4
97.02863	0.4
99.00794	0.4
99.92535	0.7
101.02348	4.9
111.04530	0.3
113.02359	2.9
116.92772	11.3
117.01859	0.4
117.92812	0.4
119.03440	0.6
125.02354	1.7
131.03452	0.3
141.01906	0.5
143.03439	2.4
145.02950	1.0
149.04599	0.6
161.04478	1.4
166.54625	0.3
171.10239	0.4
173.04533	0.4
179.05597	0.3
185.04576	0.4
188.15834	0.3
191.05649	0.3
203.05554	0.5
273.86319	0.3
291.07434	0.4
323.10089	1.1
341.10934	1.3
347.10016	0.9
365.10947	2.9
383.12009	4.1
407.12119	1.7
425.13092	29.9
426.13486	2.8
467.14111	8.4
468.14615	1.0
520.88928	0.3
545.58795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46284	0.5
54.76142	0.4
59.01267	100.0
60.01609	1.0
69.03362	0.6
69.48409	0.7
69.48808	3.8
71.01274	5.8
73.02847	2.3
75.00764	0.6
82.57949	0.5
83.01287	2.2
85.02856	2.7
87.00786	3.9
89.02337	4.2
91.67991	0.5
93.03379	0.7
95.01347	0.6
96.95937	1.7
99.00779	1.0
101.02344	6.5
109.02864	0.8
111.00847	0.5
113.02357	5.9
119.03452	1.3
125.02380	1.7
141.01830	0.6
143.03450	1.8
149.04541	1.1
160.28561	0.6
161.04526	3.3
171.10236	5.1
173.04585	2.1
179.05592	1.3
191.05655	1.4
195.62500	0.5
196.67184	0.5
203.05672	0.5
209.11887	0.6
323.09805	2.8
329.62036	0.5
341.10910	5.6
365.10834	3.4
383.12054	15.3
383.16934	0.8
384.12546	1.0
397.13773	2.1
407.12320	1.8
415.14996	1.2
425.13132	32.7
426.13370	2.6
467.14188	4.9
468.14813	0.8
569.23047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39812	0.3
53.49396	0.3
54.45861	0.2
59.01263	22.2
60.01606	0.3
73.80161	0.3
75.00763	0.3
78.95795	19.2
80.97436	0.3
83.37645	0.3
93.36995	0.3
109.40875	0.3
122.98402	0.4
126.72722	0.3
128.25168	0.3
128.49277	0.3
152.99536	3.1
168.04263	3.1
203.38358	0.3
223.46567	0.3
224.06944	7.9
225.07504	0.3
242.07883	1.6
255.23370	2.5
269.24902	100.0
270.25241	10.4
277.64810	0.4
287.22491	0.3
483.27448	1.3
494.32620	67.3
495.25989	0.6
495.32965	10.2
565.90088	0.4
568.26184	0.3
589.40698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78778	0.3
59.01264	4.4
61.98717	4.8
69.03335	0.4
71.01266	1.6
71.39294	0.2
71.57809	0.3
73.02841	0.6
75.00774	0.6
77.32019	0.2
78.95812	0.4
80.96393	0.3
85.02838	1.0
87.00748	0.3
89.02325	0.7
93.03353	0.8
93.74455	0.3
96.95888	0.7
97.02873	0.5
99.00733	0.4
101.02339	0.9
113.02337	0.5
119.15582	0.3
121.22041	0.2
125.02376	0.5
134.03648	0.3
134.33162	0.3
135.04459	0.5
145.02881	0.5
149.89964	0.3
155.03331	0.3
160.01581	0.5
170.07291	0.7
171.10234	0.7
173.04640	1.7
179.03395	0.4
181.06485	0.5
191.05586	0.8
193.06555	0.4
194.07349	2.5
197.06068	2.5
198.06813	1.9
199.07677	0.4
206.07353	4.7
207.07805	0.4
208.62364	0.3
217.06589	1.6
218.07336	3.9
219.08084	1.8
221.06081	26.7
222.06525	3.7
230.07338	0.7
231.08195	1.6
233.09723	1.3
245.06096	1.0
247.07648	0.8
249.05554	0.6
249.09245	8.3
250.06419	1.7
250.09573	1.0
262.06497	0.5
276.08197	0.4
277.08740	100.0
278.09113	11.3
279.11429	0.4
289.05121	9.9
290.05453	1.0
291.04840	0.4
315.12408	0.3
319.04358	0.7
321.07794	1.6
345.09961	0.5
425.12982	0.4
451.18277	0.5
525.14246	1.6
569.22192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16365	0.4
56.11251	0.5
59.01266	100.0
60.01607	0.6
60.15353	0.5
61.73184	0.5
61.98718	1.9
69.03359	0.8
71.01274	7.1
71.58421	1.0
73.02837	3.4
83.01303	2.4
85.02860	2.4
87.00763	5.8
87.01208	0.6
88.98714	0.6
89.02333	5.3
89.02740	0.4
93.03393	1.0
96.95917	7.1
97.02877	1.1
99.00820	0.6
101.02336	7.0
108.02106	0.7
113.02354	4.0
119.03432	2.0
125.02357	3.3
131.03519	0.7
135.95355	0.5
143.03380	2.4
149.04572	0.6
161.04549	1.6
171.10225	7.3
173.04536	1.5
179.05585	1.5
185.04536	0.6
191.05602	0.9
203.05626	0.7
209.11905	2.0
221.06479	0.6
227.12946	1.5
247.33070	0.6
305.08783	0.6
323.09982	1.7
341.11029	3.4
347.09906	1.2
365.10944	4.4
383.11975	4.6
397.13593	3.9
407.12076	3.7
415.14597	1.0
425.13077	29.9
426.13550	2.3
445.58725	0.6
467.14197	8.5
468.14716	0.7
569.24188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05189	0.1
55.01771	1.6
57.03337	4.3
58.00483	0.4
59.01265	74.9
60.01608	1.1
61.98721	0.6
67.01773	0.3
68.99712	0.3
69.03351	1.4
71.01272	17.6
71.04932	0.2
71.20675	0.2
71.56403	0.2
72.99205	1.3
73.02837	5.4
75.00773	0.3
78.95792	0.4
81.03350	0.4
83.01278	5.0
85.02843	10.7
85.99999	0.4
86.03187	0.3
87.00778	1.6
87.04413	1.6
88.98708	0.1
89.02329	1.2
93.03383	0.4
95.01290	2.3
96.95924	0.6
96.99221	0.2
97.02852	1.4
97.06499	0.5
99.00781	2.7
99.04388	0.2
101.02347	9.8
102.02715	0.3
108.02051	0.2
109.02852	0.3
109.06526	0.5
111.00795	2.2
111.08052	0.2
112.01602	1.1
113.02361	7.5
113.09634	0.3
114.02724	0.2
115.03920	0.3
119.03400	0.2
123.04474	0.3
123.08068	1.4
124.01598	1.0
125.02367	2.2
125.09666	0.3
129.01871	0.6
135.04471	0.2
135.08154	0.3
137.02304	0.2
139.11215	0.4
141.01860	0.3
141.09146	0.8
141.12779	1.3
143.03429	1.5
143.10727	0.5
151.11237	0.3
153.01897	0.3
153.05513	0.7
153.09163	1.4
159.02942	1.1
160.01653	0.3
161.04501	1.3
169.12299	1.0
171.10213	0.2
171.13872	3.1
173.04509	0.9
173.11777	0.3
174.04897	0.2
183.13896	0.4
187.13374	1.5
191.05629	0.4
199.13361	0.5
200.14157	0.6
201.14955	2.6
201.58005	0.2
202.15204	0.2
213.14964	0.2
217.14531	1.1
220.08463	0.1
229.18132	0.3
263.07080	0.2
277.21719	0.3
313.27548	0.2
315.25369	1.3
341.27008	0.4
343.28601	0.9
344.28912	0.3
359.24289	0.1
359.28125	2.9
360.28363	0.4
361.29691	11.7
362.30029	1.4
371.28119	0.2
373.29456	0.3
401.29599	0.2
403.30838	0.2
431.30182	0.4
457.32028	1.0
469.31537	0.4
475.32675	1.1
477.30981	0.3
487.33014	0.2
503.32138	0.3
505.33936	100.0
506.34250	16.1
521.33594	0.2
523.34979	23.1
524.35266	4.1
565.22797	0.2
565.36041	3.7
566.36078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.28
Annotation	Aristophyll A
Peak:m/z	Relative Intensity
54.86523	20.1
59.01261	73.0
61.98716	30.8
69.86432	100.0
70.47083	22.2
78.95776	25.9
98.20504	40.6
117.38736	21.1
119.35875	18.4
127.17152	19.9
141.99406	17.4
151.45850	18.0
163.71266	22.2
208.34662	18.7
269.06985	20.1
293.21194	57.9
303.85571	21.4
410.77618	19.3
565.28168	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	41.8
61.98723	41.0
71.01270	15.5
71.59444	15.9
71.59803	25.5
71.60157	15.0
96.95967	15.1
145.41920	14.9
151.00273	19.3
152.01103	42.0
235.17197	22.6
253.09268	25.1
275.20242	54.2
293.21228	76.4
444.16562	15.8
565.20850	100.0
565.26996	75.3
566.20715	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	565.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.6
57.03332	3.5
58.00491	0.6
59.01266	24.7
61.98715	2.9
64.44730	0.5
69.03344	2.3
71.01270	12.4
71.59663	0.9
72.99216	1.8
73.02827	2.8
74.02391	1.1
75.00758	3.8
78.95795	4.1
81.03362	2.4
83.01279	2.0
83.04920	1.2
85.02840	12.4
86.03190	0.7
87.00765	4.9
88.98701	0.7
89.02338	2.8
90.02710	0.6
93.03352	3.1
94.03720	0.7
95.01289	5.9
96.95910	5.9
96.96876	0.9
97.02859	0.9
98.02371	0.8
98.95509	1.2
99.00797	2.6
101.02345	5.8
107.04972	0.9
108.02077	85.6
109.02874	56.4
110.03217	1.8
111.00769	1.0
111.01924	1.9
113.02350	5.8
121.02858	2.8
123.00769	3.9
123.04447	1.9
125.02369	2.3
132.02121	1.7
133.02902	1.1
134.03667	2.3
135.00751	0.7
135.04390	2.3
136.04112	0.7
136.69502	0.5
137.02399	0.9
141.01808	0.7
145.02823	0.8
145.54961	0.6
149.04456	0.6
149.05988	0.8
151.03931	2.0
152.01091	99.5
153.01881	38.2
153.05492	1.3
154.02229	1.8
160.01587	5.7
161.02026	1.7
161.04472	2.0
161.09674	0.8
162.02086	0.7
163.03886	2.8
165.01871	2.4
168.85115	0.6
171.10193	1.9
173.04501	5.4
174.04843	0.8
175.03909	5.6
176.04298	2.2
177.01891	0.9
179.03276	0.7
181.01451	0.7
187.11340	0.8
191.05521	1.5
193.04979	2.8
194.05322	1.2
195.03035	0.7
197.04495	2.4
205.12306	0.9
207.10193	1.2
217.32532	0.6
225.03793	0.6
235.06145	1.2
236.06461	1.6
253.06993	0.9
253.09288	2.1
267.07114	0.6
297.06055	1.2
315.03922	1.1
315.07306	13.7
316.07538	0.9
327.21863	3.2
328.22293	3.1
329.22351	1.8
357.04355	0.9
357.08328	11.5
358.08563	1.5
361.29617	1.3
373.15445	0.7
447.11508	2.8
463.25333	1.1
486.35883	0.7
503.19125	5.0
504.20078	0.8
504.33078	0.7
505.26785	1.3
505.33719	7.7
521.20392	26.2
521.27661	1.8
522.20740	4.6
523.34601	1.5
538.88409	0.6
547.18286	3.9
548.18597	0.7
564.24890	0.8
565.19098	100.0
565.63556	0.8
566.19470	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	565.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.3
59.01265	29.9
61.98703	1.1
65.00203	1.9
67.01781	1.0
69.03324	1.7
70.60831	1.7
70.61192	1.5
71.01273	30.8
71.01669	1.7
72.99203	1.7
73.02836	7.3
83.01268	3.4
85.02833	4.9
87.00782	2.0
88.90826	0.8
89.02337	46.4
93.03362	1.9
95.01276	2.2
96.95912	5.7
96.96814	0.8
97.02847	1.1
99.00781	10.7
101.02354	19.0
107.01286	2.1
108.99220	0.9
109.02846	2.3
110.00009	10.9
110.00705	1.4
111.00811	5.3
113.02343	6.5
119.03405	3.0
121.02890	1.6
123.00832	2.7
123.04430	1.6
124.01518	1.2
125.02397	6.0
131.03458	8.8
133.02893	1.6
135.04424	1.5
136.98741	2.2
137.02376	1.6
137.36858	0.9
137.99501	4.5
139.00290	14.7
140.00937	0.8
145.02895	1.5
149.02438	1.7
149.04506	28.5
151.00299	7.9
152.01047	3.4
153.01828	1.3
159.04463	1.5
161.02423	4.1
161.04512	2.7
163.00319	1.8
163.03867	0.8
164.01103	1.5
165.05481	0.9
165.99031	16.2
166.99800	6.2
171.04503	2.0
173.04568	4.2
174.03221	0.8
175.03903	4.3
178.99806	12.3
179.03455	1.3
187.03947	1.7
190.06355	4.1
190.99796	1.4
191.05600	9.8
192.05971	0.9
193.98532	1.3
194.99323	1.4
198.03198	2.6
199.03983	3.2
200.98412	0.7
201.01895	3.3
203.03476	2.6
205.08691	5.0
206.99353	2.2
214.02725	2.4
215.03458	2.6
215.12952	0.9
215.24522	1.0
216.04279	1.0
217.05048	1.4
219.03098	1.1
221.06651	2.7
226.02727	1.6
227.03467	4.8
229.01505	1.2
231.03032	1.8
242.02151	4.8
242.04393	0.8
243.03006	8.7
244.03720	2.5
245.04564	1.4
251.07712	3.3
251.43297	0.9
255.03004	3.2
259.02463	3.9
260.03165	1.8
270.01736	7.6
271.02536	44.6
272.03195	6.7
273.04025	2.8
283.10922	1.2
287.02045	31.7
288.02484	4.3
289.03372	0.9
299.02042	25.1
299.05392	1.8
300.02426	4.9
301.03363	1.8
311.10040	1.6
315.01434	1.7
316.02298	85.6
317.03006	39.9
318.03290	3.7
359.16946	0.9
361.16623	1.5
377.18134	8.5
419.19202	3.2
479.08255	5.5
505.14792	2.0
505.26654	30.5
521.09485	100.0
521.22247	2.5
522.09814	12.6
536.59381	0.9
564.23792	1.2
565.16046	1.4
565.23944	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
55.88199	0.2
57.03339	3.1
58.00460	0.5
59.01262	15.6
60.35299	0.3
61.98705	1.7
67.01765	0.9
69.02966	0.4
69.03340	5.6
71.01270	10.7
71.38892	0.3
71.58119	0.4
72.01595	0.4
72.52500	0.3
72.70686	0.3
72.99184	1.2
73.02836	1.6
74.02348	1.6
78.95772	0.6
83.01261	1.2
83.04916	1.3
84.02039	0.7
85.02840	14.3
85.06486	0.4
87.00776	2.3
89.01831	0.6
89.02337	7.3
89.62743	0.3
93.02840	0.5
93.03368	5.0
95.01270	1.2
95.04905	0.9
96.95913	2.4
97.02856	2.9
97.06485	2.6
99.00781	1.8
99.04399	0.6
101.02341	8.7
108.02048	0.7
109.02842	1.1
110.53469	0.3
111.00748	0.3
111.04413	1.7
111.08074	0.3
112.01520	0.3
113.02354	5.2
119.03388	2.3
119.08546	0.7
121.02856	0.4
123.04382	0.4
125.02338	0.6
125.09624	1.0
127.11183	1.3
132.02103	4.5
133.02916	1.4
134.03674	8.5
135.04195	0.5
137.02377	1.5
137.09639	2.9
141.01788	0.4
143.03450	0.9
147.04443	1.2
148.05196	0.4
149.06061	1.8
152.01048	0.7
153.01794	0.4
153.05489	0.4
155.03426	1.4
155.10704	0.7
160.01602	24.3
161.02020	0.9
161.04512	3.4
163.03848	0.5
163.07573	0.3
165.00101	0.4
165.12775	1.0
167.14305	0.7
171.10222	32.6
172.10570	1.4
173.04529	17.1
173.06003	1.6
174.04817	0.6
175.03963	24.2
176.04605	3.2
177.01845	0.7
177.05232	0.3
178.02647	1.1
179.03490	0.5
179.05547	1.1
179.95996	0.3
181.12361	0.3
183.13876	3.1
185.00894	3.9
185.11839	0.8
187.07622	0.5
189.05446	0.4
191.05553	7.2
191.07127	3.8
193.05037	9.7
193.12207	0.7
197.11845	0.4
199.07423	0.3
199.13406	0.5
201.05492	0.5
201.11281	1.8
203.07027	0.6
204.07837	0.7
207.06586	1.2
209.11835	1.1
211.13376	12.6
212.13759	0.7
213.11313	0.4
214.06352	0.6
215.07106	0.5
217.05017	0.5
219.08170	0.4
220.03679	0.4
221.11836	2.0
226.09908	0.5
229.08713	0.6
229.14473	8.8
230.09473	0.8
230.14862	0.5
232.07341	0.4
235.06133	14.8
236.06506	1.1
239.12938	1.5
244.11334	0.4
247.09813	0.6
248.10583	0.6
253.09320	35.8
254.09698	2.3
263.07169	0.5
265.07251	3.2
270.12659	0.3
271.04816	0.3
283.13480	0.9
291.19739	2.3
295.08264	4.3
296.08731	0.4
301.14478	1.0
307.06433	0.4
309.15018	0.8
309.20605	1.6
311.12823	0.5
327.21820	100.0
328.22174	12.1
329.13989	0.8
341.26843	0.4
345.17099	2.2
353.13943	0.5
355.10431	1.2
359.28339	0.3
371.15030	3.1
377.21863	0.5
389.16077	3.1
390.16568	0.6
503.32297	3.9
504.32831	0.5
520.27869	1.5
521.33319	1.2
545.20844	0.5
563.24872	22.2
564.25165	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	563.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.8
57.03339	2.7
58.00473	1.0
59.01266	74.8
60.01609	0.9
61.98713	0.5
62.53210	0.2
65.63817	0.2
67.01773	0.6
68.99707	0.4
69.03340	1.3
70.43739	0.7
71.01271	19.3
71.04917	0.5
72.01594	0.4
72.99208	1.5
73.02837	7.1
75.00781	0.6
78.39207	0.2
78.95807	0.2
81.03365	0.7
83.01276	6.7
83.04933	0.5
84.02065	0.2
85.02845	14.6
85.99994	0.7
86.03178	0.3
87.00771	2.8
87.04430	0.9
89.02338	1.8
93.03362	2.1
95.01298	2.5
96.95911	0.5
97.02856	1.6
97.06490	0.6
99.00781	3.5
99.04444	0.2
101.02349	15.5
102.02695	0.3
109.02873	0.2
111.00790	2.8
111.04440	0.7
112.01614	0.9
113.02359	10.0
114.02709	0.3
115.03922	0.3
117.57501	0.2
119.03439	0.4
121.10154	5.4
122.10508	0.3
124.01584	0.7
125.02362	2.3
125.09653	0.7
127.03912	0.2
127.11208	0.3
129.01837	1.0
131.03360	0.3
133.02888	0.2
133.10123	0.3
134.03667	0.3
135.04523	0.2
137.02388	0.4
137.09682	0.4
139.11299	0.3
141.01875	0.4
141.12793	2.7
142.13132	0.3
143.03442	1.6
147.04558	0.2
153.12791	0.3
155.03447	0.6
155.10745	0.8
155.14363	0.4
157.12299	0.5
158.03732	0.2
159.02960	1.6
160.01640	0.3
161.04500	3.3
165.12869	0.4
169.12299	1.1
171.10210	0.5
171.13861	3.9
172.10570	0.3
173.04543	8.0
173.06013	1.1
174.03275	0.3
174.04863	0.5
174.06758	0.5
175.03941	0.7
175.07571	0.5
177.01930	0.2
177.05475	0.2
181.12357	0.5
183.13896	0.7
185.11917	0.4
185.15390	0.2
186.06851	0.3
187.07617	0.7
187.13399	0.5
189.05531	0.2
191.05589	3.0
197.11859	0.2
199.13405	0.8
200.14143	0.5
201.05592	0.5
201.14957	14.7
202.15308	0.6
203.07132	0.9
204.07878	0.6
209.11809	0.5
210.12334	0.3
211.13486	0.3
213.14934	0.8
214.06366	0.3
215.07230	0.2
217.08688	0.5
218.09418	0.4
229.08740	0.5
230.09535	0.3
231.10080	0.2
232.07404	0.7
233.08073	0.3
235.05742	0.2
243.15977	0.2
247.09824	1.1
248.10489	0.9
253.09209	0.5
255.09892	0.2
263.09549	0.2
271.13461	0.3
283.13626	0.2
289.18173	0.2
290.18924	0.2
299.16513	0.3
299.26062	0.5
301.14581	0.3
301.29300	0.2
305.24582	0.2
307.19186	0.6
308.19531	0.5
309.19879	0.7
315.18347	0.4
317.17633	0.3
326.20755	0.4
327.16116	0.5
327.21722	1.2
329.13995	0.2
329.26834	0.3
331.46817	0.2
333.19125	0.7
341.27017	2.2
345.19553	4.3
346.19809	0.4
357.26743	0.2
359.28131	4.5
360.28406	0.5
362.19449	0.3
363.20328	4.2
364.20691	0.4
371.15106	0.7
389.16129	1.6
390.16376	0.4
438.29639	0.2
443.30185	0.4
449.28983	0.3
455.30182	0.7
467.30115	0.6
473.31195	0.7
485.31409	1.1
501.31119	0.5
503.32379	100.0
504.32709	16.0
521.33423	20.6
522.33771	3.2
545.28918	0.5
563.21252	1.0
563.35321	1.6
564.34747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97375	0.3
54.22350	0.3
54.62007	0.4
55.01772	0.7
57.03330	2.6
57.74669	0.4
58.00470	0.7
58.75120	0.4
59.01265	20.5
60.99173	0.5
61.98701	2.2
67.01775	1.0
69.03343	6.4
71.01267	12.9
71.04913	0.5
71.58906	0.4
72.99207	1.3
73.02835	2.2
74.02357	5.7
78.95801	0.8
81.03348	0.9
83.01292	1.2
83.04903	1.4
84.02078	0.7
85.02843	11.2
86.03165	0.5
87.00770	2.8
89.02338	8.2
91.03934	0.5
93.03355	6.3
95.01289	1.4
95.04916	1.2
96.95912	7.0
96.96848	0.6
97.02840	2.1
97.06497	3.7
99.00791	2.2
101.02349	10.7
105.03392	0.5
108.02077	1.2
109.02870	1.2
111.04441	1.5
113.02374	4.9
117.03404	0.5
119.03465	2.4
119.04964	0.6
119.08582	0.4
123.04456	0.6
125.02326	0.5
125.09667	0.6
127.11221	2.2
132.02092	9.7
133.02899	3.3
134.03674	19.0
135.04420	0.9
136.01526	0.4
137.02357	1.9
137.09676	1.8
141.01912	0.5
143.03491	0.5
147.04442	1.9
148.05278	1.3
149.06010	4.8
151.03969	0.6
152.01105	1.0
153.01796	0.6
155.03441	1.3
155.10732	0.8
159.04475	0.5
160.01613	53.5
161.01909	2.6
161.04509	4.0
165.00085	0.5
165.12817	1.2
166.00882	0.5
167.14371	1.0
171.08757	1.0
171.10228	19.0
172.10638	0.8
173.04541	18.2
173.05984	1.8
174.03241	0.4
174.04874	0.6
175.03969	55.1
176.04639	7.1
177.01909	0.8
177.05411	0.5
177.12799	0.8
178.02666	2.6
179.03461	1.2
179.05595	1.2
183.13879	4.4
185.00914	3.7
185.11768	0.9
191.05574	6.7
191.07140	8.8
192.07475	0.8
193.05032	23.2
193.12343	0.9
194.05383	1.1
197.11900	0.5
201.11258	0.9
203.07066	0.7
203.10770	0.7
204.07841	1.0
207.06555	2.8
209.11906	1.4
211.13393	18.4
211.75546	0.4
212.13757	1.2
214.06293	0.5
215.07077	0.9
217.05132	1.0
218.05573	0.5
220.03757	1.0
221.08241	0.5
221.11919	2.3
229.08749	1.0
229.14465	11.5
230.14935	1.1
232.07385	0.7
235.06129	28.1
236.06461	2.7
239.12935	1.9
247.09760	0.7
253.09334	38.5
254.09674	2.2
255.13985	0.6
265.07230	7.3
266.07709	0.8
283.13541	1.1
291.19720	2.5
292.20007	0.6
295.08282	11.7
295.11597	0.8
296.08755	1.1
301.14606	1.0
309.15021	1.7
309.20761	1.7
311.13086	0.5
327.16403	2.8
327.21832	100.0
328.22174	10.3
329.13803	0.8
345.17032	2.7
355.10477	2.7
359.27994	0.5
371.15067	5.3
372.15323	0.8
389.16174	3.8
503.32312	4.2
504.32251	0.5
505.21512	0.5
520.27643	5.5
521.33337	1.3
563.25037	49.3
564.25366	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	563.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	93.1
61.14453	27.6
61.98705	59.7
71.01256	57.8
71.56289	44.4
73.92240	29.0
88.01492	31.6
88.98670	40.5
93.03371	39.3
121.02813	28.8
173.04463	81.0
291.19739	99.8
345.13797	58.6
419.26678	26.7
563.26025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02155	1.0
58.00478	3.6
59.01262	80.1
60.46374	0.9
60.99197	10.0
69.46062	8.8
71.01263	22.8
72.99196	61.9
73.02846	1.7
75.00755	7.6
76.98711	1.4
85.02864	1.0
87.00775	4.4
89.02334	100.0
90.02688	1.5
90.06777	0.9
98.19820	2.3
99.00767	4.9
100.14756	0.9
103.00305	1.1
105.01839	5.3
113.02388	1.3
113.03542	1.1
115.00285	17.9
117.01850	78.7
118.02210	2.4
120.71831	1.0
133.01349	71.6
134.01660	1.4
135.02930	9.2
145.01353	34.8
146.01816	1.5
148.23178	1.0
149.04495	5.0
161.00858	14.9
177.04050	1.6
221.00861	2.2
221.03014	32.9
221.05052	2.0
221.06470	1.5
222.03381	2.1
341.10880	2.9
489.94415	1.2
496.64008	1.1
515.12579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97758	1.1
57.03341	22.6
59.01265	100.0
60.01589	1.4
60.99164	1.3
61.98713	6.2
69.03342	3.2
69.35114	7.4
69.35548	3.6
71.01272	41.8
71.04903	9.1
72.01617	1.8
72.99203	2.0
73.02841	16.0
74.02353	14.8
75.00762	2.4
78.95783	2.4
81.03334	1.9
83.01274	3.1
85.02847	10.2
87.00765	3.4
88.98698	4.9
89.02325	14.1
93.03359	8.2
95.01294	2.3
96.95918	5.5
97.02853	1.6
99.00787	5.8
99.04411	6.9
101.02347	26.4
108.02082	1.6
111.00774	1.5
113.02372	12.5
113.05985	1.4
115.66996	1.1
116.48698	1.1
119.03438	6.3
123.04438	3.2
125.02356	3.2
125.06049	2.6
125.09659	1.3
131.07050	2.7
135.04446	4.1
137.02385	2.5
143.03484	2.1
143.07074	68.7
144.07442	2.2
152.73029	1.1
155.03456	2.6
159.11894	1.1
161.02344	1.6
161.04510	6.2
163.03937	2.2
167.10699	1.5
173.04518	23.2
175.03848	1.2
179.03429	2.2
179.05556	1.4
185.00934	1.7
191.05582	12.2
191.07127	1.9
195.60112	1.2
197.11766	1.5
215.12891	1.3
255.23407	3.1
259.63626	1.1
275.11539	1.9
293.12411	3.7
301.14517	1.3
311.13010	2.5
327.15842	1.8
335.13626	4.6
345.17102	4.0
347.17181	5.1
359.17303	4.4
371.15274	2.6
375.16699	1.6
377.18268	16.2
389.17810	3.6
391.22473	2.1
409.23566	1.9
419.19318	65.3
420.19482	6.6
429.21011	2.3
459.23508	1.3
461.20395	29.7
462.20773	2.3
478.25974	1.5
501.23395	7.4
503.25159	7.1
520.27722	17.2
563.23541	50.1
564.24188	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	562.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.4
61.98713	0.7
70.36417	1.2
70.36805	1.2
72.93169	0.5
78.95791	8.3
79.22051	0.5
85.06474	1.7
122.00039	0.6
130.67099	0.5
135.76773	0.5
140.01172	3.3
149.06076	0.6
152.99492	0.9
165.12845	0.6
173.04483	0.6
181.12346	1.0
196.03699	1.2
199.13367	11.5
200.13434	0.6
214.04857	4.3
256.78387	0.5
259.07642	0.7
279.19702	11.6
280.20093	1.6
347.26031	6.4
348.26202	0.9
365.27036	100.0
366.27356	13.4
497.38318	0.6
562.31628	27.1
563.32135	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	563.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01264	10.4
69.03336	2.6
71.01276	6.7
71.58926	1.5
72.99215	1.6
73.02821	1.5
76.45444	0.7
78.95795	1.5
83.01248	1.0
83.04913	0.9
83.35167	0.8
85.02847	3.3
87.00749	2.9
88.98721	0.7
89.02342	3.7
89.50745	0.7
93.03342	6.2
95.01260	0.8
96.95922	1.6
97.02853	1.2
99.00758	0.9
101.02366	4.5
107.01308	1.0
107.04918	0.7
108.02081	1.1
111.04438	1.1
112.25369	0.8
113.02338	1.9
119.03462	1.2
119.04916	2.0
123.04479	0.9
125.02376	1.2
130.61990	0.7
131.03471	0.8
134.03639	0.8
135.04456	1.5
145.02890	2.2
149.04489	2.3
151.00293	4.5
151.03909	1.3
155.03404	1.3
160.01640	0.9
161.04626	1.2
161.06013	0.7
163.00290	0.7
163.03918	2.0
173.04529	18.7
173.05997	1.5
174.04863	1.1
175.02504	0.7
175.03915	1.7
179.05585	1.0
183.04449	2.3
185.00867	2.4
187.03957	2.3
191.05598	8.1
199.03973	4.5
215.03581	0.8
227.03517	5.2
243.03027	18.3
244.03555	2.4
255.03012	20.0
256.03528	2.2
271.02545	34.5
272.03055	4.0
283.13525	1.2
285.04218	0.9
287.05606	1.0
299.02036	60.7
300.02747	30.7
301.03177	2.8
301.14395	1.0
311.12881	1.8
314.01459	0.6
314.04391	35.9
315.05164	100.0
316.05475	7.7
327.12726	0.9
327.16119	2.7
341.55655	0.7
345.16998	3.0
357.13596	1.2
371.15173	2.3
377.21704	1.4
389.16202	2.0
503.25272	1.6
519.11578	43.7
520.11865	6.3
545.20844	1.4
562.29663	1.1
563.22833	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	562.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53046	0.8
55.19674	0.7
59.01266	4.5
61.98715	1.5
75.00775	0.7
76.18571	0.7
78.95793	36.1
85.06507	0.7
93.03393	1.0
122.00059	1.2
140.01115	8.7
149.02257	1.2
149.06020	1.3
152.99548	2.5
160.63263	0.8
165.12769	1.9
176.77515	0.7
181.12357	1.1
196.03790	15.2
199.13379	23.9
200.13742	1.9
204.57599	0.9
214.04846	3.0
234.81740	0.7
254.77060	0.7
279.19662	8.2
303.52744	0.8
335.63303	0.8
347.26117	7.2
348.26129	1.1
363.25412	1.5
365.27039	100.0
366.27377	14.4
378.47220	0.8
406.50119	0.8
503.21512	0.9
529.97430	0.8
562.31610	79.1
563.23352	0.9
563.31940	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.9
57.03338	3.5
58.00483	1.3
59.01265	83.0
60.01600	0.9
61.98717	0.7
68.99697	0.5
69.03341	3.6
70.79424	0.8
71.01270	22.9
71.04912	1.1
72.01599	0.3
72.49683	0.3
72.99199	1.8
73.02835	8.0
75.00780	0.7
81.03351	0.5
83.01276	6.0
83.04913	0.7
84.02040	0.3
85.02846	12.9
86.00004	0.4
87.00775	2.6
87.04415	0.7
88.03949	2.3
89.02338	7.5
93.03365	0.8
93.07001	0.3
95.01288	2.3
95.04931	0.5
96.95895	0.3
97.02846	2.4
97.06490	2.2
99.00780	3.7
99.04429	0.8
101.02347	18.7
107.04994	0.3
109.06509	2.6
111.00795	2.2
111.04407	0.4
111.08055	0.3
112.01604	0.9
113.02362	9.7
119.03414	2.3
121.10143	2.1
123.08086	0.4
124.01643	0.4
125.02360	2.4
125.09628	1.3
127.07540	0.4
129.01857	1.0
131.03444	0.8
135.04439	0.4
137.09636	0.7
139.11186	0.5
141.01845	0.7
141.12784	1.7
143.03430	2.4
149.09639	0.4
151.11247	1.1
153.09145	0.6
155.10786	0.7
159.03003	1.6
161.04530	3.9
163.11345	0.3
167.10728	0.5
169.12273	1.3
171.10201	3.2
171.13866	2.5
172.10519	0.3
173.04527	1.9
175.04027	0.3
179.05571	3.4
183.13979	0.5
185.00920	1.7
185.11835	1.1
187.13351	0.8
191.05626	0.4
193.05098	0.3
197.11823	4.6
199.13382	1.0
200.14137	1.4
201.11333	1.0
201.15015	1.6
205.12511	0.3
209.11812	0.3
211.13382	2.3
221.06688	1.3
223.13469	0.3
227.12877	0.4
227.16512	1.2
229.18130	2.0
235.13472	0.9
237.15053	0.5
241.18106	0.4
253.09319	5.0
289.18170	0.6
297.24393	0.3
303.23410	0.6
307.19272	1.3
315.18387	0.5
321.24438	1.3
325.20276	11.5
325.24207	0.6
326.20682	1.3
331.17813	0.4
333.19135	0.5
339.25507	2.1
340.25748	0.4
343.17722	0.9
344.18396	5.0
345.19040	0.6
349.18533	0.3
355.24994	0.3
357.26538	5.2
358.26846	0.4
361.18689	2.5
362.19525	8.9
363.19968	1.0
369.19360	0.5
373.22263	0.5
389.22235	0.4
391.23373	0.9
394.18503	0.6
395.62500	0.3
399.23703	0.5
399.28458	0.3
435.27936	0.5
441.28433	0.6
453.28555	1.2
465.28802	2.2
466.29193	0.5
471.29907	1.3
475.08676	0.3
483.29749	5.5
484.30051	0.8
499.28876	0.3
501.30801	100.0
502.31158	16.0
518.25934	1.8
519.31860	29.5
520.32050	5.0
529.29779	0.3
543.32318	1.5
561.33777	2.2
562.33093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.1
57.03339	10.9
58.00479	0.9
59.01266	98.9
60.01601	1.1
61.98726	1.2
67.01806	0.5
69.03343	4.3
70.19862	0.3
71.01273	24.6
71.04913	1.0
72.99190	1.9
73.02836	8.3
75.00771	0.8
81.03361	0.8
83.01279	5.6
83.04913	0.8
85.02846	14.0
85.06483	0.4
86.03196	0.5
87.00778	2.8
87.04397	0.7
89.02328	4.9
89.50677	0.3
91.77770	0.4
93.03360	1.3
95.01295	2.5
95.04958	0.5
96.95935	0.5
97.02847	2.4
97.06483	2.5
99.00781	4.0
99.04420	8.9
100.04765	0.4
101.02349	20.9
102.02679	0.6
109.02863	0.5
109.06503	2.4
111.00786	3.0
111.04462	0.4
112.01620	0.9
113.02354	9.7
115.03934	0.6
115.90862	0.3
119.03439	0.9
121.02904	0.4
121.10173	2.2
123.08061	0.4
124.01622	0.6
125.02362	6.7
125.09637	1.7
126.84630	0.4
127.07528	0.4
127.11240	0.4
129.01857	1.0
131.03465	0.6
134.03806	0.4
135.04483	0.5
137.02451	0.5
137.09651	0.8
139.11244	0.4
141.01892	0.8
141.12776	1.9
143.03438	2.7
144.00940	0.4
151.11230	0.9
153.09203	0.5
155.10732	1.0
159.02939	1.9
160.01607	0.9
161.04488	3.8
167.10742	0.6
169.12305	0.7
171.10237	2.2
171.13867	2.9
173.04520	2.6
175.03973	1.0
179.05589	1.2
181.12131	0.4
183.13786	0.5
185.00902	2.7
185.11769	1.3
187.13464	0.5
191.05588	0.6
193.05145	0.6
197.11874	3.6
199.13423	1.0
199.17137	0.5
200.14174	1.4
201.11353	1.0
201.14935	1.6
209.11786	0.6
211.13426	1.9
216.34401	0.4
227.16504	0.9
229.18088	2.0
235.13499	0.7
241.18089	0.5
249.14940	0.4
253.09329	4.4
254.09726	0.5
273.03073	0.4
289.18234	0.9
303.23358	0.6
307.19217	0.6
315.18188	0.4
321.24310	1.2
325.20270	10.0
326.20734	1.1
333.19299	0.5
339.25528	1.5
340.21481	0.6
343.17676	0.8
344.18423	5.5
345.19012	1.0
357.17242	0.5
357.26498	5.3
358.26895	0.7
361.18784	2.8
362.19504	9.5
363.20178	1.1
373.22244	0.6
391.23505	1.2
394.18555	0.9
399.23779	1.7
417.25119	2.6
435.27707	0.7
441.28757	0.9
453.28564	0.8
459.26233	1.0
465.28400	1.8
471.29745	1.4
483.29733	5.3
484.30099	0.9
501.30823	100.0
502.25323	0.4
502.31152	18.2
519.31866	28.8
520.32123	4.3
543.31757	1.2
545.65405	0.4
561.31458	2.5
562.32416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02291	0.5
55.01775	1.2
57.03339	4.0
58.00482	0.6
59.01264	9.2
61.98713	2.2
64.47880	0.3
64.92931	0.3
67.01775	1.4
69.03344	40.1
70.03688	0.8
71.01270	9.6
71.01664	0.5
72.99194	1.4
73.02839	1.8
75.00785	0.5
79.01777	2.5
81.03361	0.4
83.01259	1.3
83.01740	0.4
83.04935	0.8
85.02851	3.0
87.00765	1.2
87.04429	1.5
88.98695	0.5
89.02332	1.6
93.03355	3.9
94.03683	0.8
95.01281	6.4
96.95892	2.1
97.02852	39.4
97.06476	0.9
98.03217	1.2
99.00786	6.4
99.04398	0.5
101.02340	2.5
108.02081	0.4
109.02878	0.7
109.06498	1.1
111.00764	0.8
111.04426	0.8
113.02372	2.1
113.09683	0.5
115.00310	1.1
115.03885	0.5
119.03391	0.7
123.00805	1.8
123.08072	1.6
125.02378	0.8
125.09656	0.5
133.02696	0.4
134.03636	0.5
135.04417	0.8
135.08076	0.9
137.02357	0.8
138.06831	0.4
139.11285	0.7
141.01869	34.8
141.12737	1.2
142.02248	1.1
143.03510	0.5
145.02928	0.6
147.03001	0.4
151.03967	0.6
153.09143	0.9
155.03387	0.4
157.12262	3.4
159.02844	0.5
161.02454	0.4
161.04555	1.0
169.12271	2.1
171.10191	1.1
173.04512	9.4
173.06007	0.5
174.04826	2.3
175.05078	0.8
185.00883	32.1
185.11769	4.1
186.01213	1.4
191.05577	2.1
193.04948	0.6
203.01945	6.4
215.12892	2.5
229.65810	0.5
235.06293	0.6
251.20160	0.8
311.22473	0.9
327.21991	0.5
327.25641	0.8
328.18344	0.4
329.23389	4.6
339.25385	0.9
357.26520	5.2
373.25940	3.8
374.26154	0.7
375.27585	100.0
376.27899	11.8
386.09692	0.6
387.09903	0.8
517.29688	0.7
531.26434	0.7
537.48810	0.5
561.29266	94.4
562.29681	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	561.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03337	3.3
58.00491	1.4
59.01264	31.0
61.98715	1.2
67.01760	1.4
69.03342	6.9
70.03671	0.6
71.01267	22.3
71.04911	3.7
71.37820	0.8
72.01620	0.8
72.99191	1.4
73.02844	4.6
80.02565	2.9
81.03360	1.9
83.01306	1.7
83.04912	5.3
84.02064	1.8
85.02847	7.1
85.06478	0.8
87.00779	2.5
87.04404	1.2
89.02336	15.9
91.05402	1.1
93.03355	4.1
95.01298	2.0
95.04913	2.4
97.02845	4.5
97.06484	4.2
99.00781	3.2
99.04419	2.0
99.08084	1.2
101.02344	18.4
107.04935	1.5
109.06504	16.1
111.04438	1.1
112.05206	0.9
113.02361	10.4
113.06017	1.0
115.07559	2.5
119.03448	3.5
121.02862	0.6
123.04405	0.8
123.08144	0.8
125.02351	2.2
125.06029	2.0
125.09639	5.0
127.07597	5.4
127.11210	0.5
131.03394	0.8
133.02901	1.1
135.08066	3.1
137.02336	0.8
137.09651	1.1
139.07509	1.2
139.11249	0.6
141.01904	0.7
141.09155	0.8
143.03423	1.8
149.04474	0.7
149.09682	0.7
151.11224	1.9
153.09163	19.4
154.09476	0.8
155.10696	2.2
159.02916	0.8
160.01640	1.6
161.04507	7.0
163.11205	3.9
165.12825	3.1
167.10747	0.9
169.12312	3.1
171.10236	28.7
172.10588	1.5
173.04504	8.1
174.04887	2.2
175.03918	2.1
175.05185	1.1
178.09966	2.8
179.05515	2.8
181.12325	3.4
183.13869	2.1
184.99469	0.7
185.00891	3.8
185.11813	5.6
186.01233	0.9
191.05624	2.1
191.10760	1.8
191.14426	1.4
192.04242	0.6
193.05006	0.8
193.12325	2.6
197.11824	36.1
198.12192	1.9
199.13426	3.6
209.11813	55.8
210.12184	3.2
211.11478	1.3
211.13393	18.8
212.13722	1.4
219.13956	0.9
223.13458	0.7
227.12827	3.3
235.06143	0.7
235.13370	5.9
237.14909	2.9
238.12082	2.1
245.19090	3.1
249.15007	2.1
251.16565	0.8
253.09323	53.0
254.09685	2.6
263.20102	0.9
279.19785	1.4
281.21255	0.9
289.18130	12.2
290.18533	2.4
297.20761	1.6
307.19211	73.9
308.19604	7.9
325.20261	100.0
326.20596	9.9
337.09235	1.0
343.15582	1.1
397.11679	0.8
474.21124	3.7
501.30887	5.5
502.31393	0.7
519.31818	1.7
543.28229	21.6
544.28711	3.6
561.29260	18.1
562.29535	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	561.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02289	0.5
54.99514	0.4
55.01765	4.5
55.38806	0.4
56.51933	0.4
57.03344	0.7
59.01268	8.1
61.98710	0.4
67.01760	0.9
69.03342	100.0
69.45123	3.0
70.03694	1.9
71.01267	4.9
72.99207	1.9
73.02836	1.1
74.32671	0.3
75.46709	0.3
79.01769	2.0
83.01285	0.7
85.02852	3.0
87.43347	0.4
88.03905	0.5
89.02340	2.5
93.03383	0.7
95.00751	0.5
95.01287	2.7
97.02852	18.7
98.03173	0.7
99.00780	27.3
99.04385	0.4
100.01077	0.5
101.02359	3.6
113.02354	1.9
119.03392	1.0
123.00809	1.1
134.03665	1.1
141.01854	8.8
147.68372	0.3
152.05075	0.4
159.03003	0.4
160.01614	1.7
161.04549	0.7
166.19435	0.4
173.04550	1.7
175.03960	1.9
185.00885	95.9
186.01237	3.3
193.05037	0.7
253.09300	0.9
290.18494	0.5
311.07315	1.1
325.20334	1.0
357.26672	0.6
375.27582	13.3
376.27957	1.4
450.23715	0.7
450.74036	0.7
465.33127	0.4
501.30859	0.5
517.28876	0.3
531.26471	2.9
531.76282	1.7
532.26001	0.4
554.13538	0.4
561.29449	29.0
562.29834	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	561.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98018	0.3
54.81515	0.3
57.03331	1.1
59.01267	5.0
61.98717	0.7
63.71955	0.3
69.03337	1.7
71.01257	3.0
71.59809	0.4
73.02840	1.3
78.95785	0.6
83.01260	0.5
85.02841	1.4
87.00794	0.5
88.98708	0.3
89.02324	1.7
93.03365	1.7
95.01286	0.5
96.95924	1.8
97.02862	1.3
99.00768	0.6
99.04462	0.6
101.02344	1.7
108.02084	1.4
109.02862	0.8
111.04375	0.3
113.02351	1.1
117.03487	0.3
119.03390	0.5
121.02874	4.1
122.03677	2.4
123.00806	0.5
123.04426	0.5
124.01581	0.6
125.02335	0.8
133.02892	0.5
134.03674	1.1
135.04448	1.0
136.01588	67.4
137.02223	2.2
141.01880	1.3
147.68773	0.3
149.02403	0.3
149.04539	0.7
149.05965	0.6
151.03947	100.0
152.00995	0.6
152.04288	4.3
153.01822	0.5
154.02646	0.8
159.04433	0.5
160.05243	1.1
161.02367	0.8
161.04518	0.7
162.03189	0.9
163.03947	1.4
173.04500	3.2
173.05911	0.6
175.03931	1.0
175.07594	1.3
176.04720	0.4
177.01865	0.8
177.05574	1.0
179.03423	0.6
185.00949	1.4
187.04083	0.4
188.06801	0.3
189.05531	0.5
191.05615	1.7
192.06035	0.3
193.05074	0.4
197.11493	0.3
219.10292	0.4
311.12894	0.9
321.11346	0.4
342.11115	4.4
343.11685	0.5
357.13501	98.7
358.13843	11.8
375.27676	2.0
376.28027	0.4
561.16882	0.8
561.29126	4.1
562.15979	0.3
562.29742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.1
57.03330	5.6
58.00471	1.8
59.01264	51.6
60.01602	0.7
61.84558	0.7
61.98713	21.9
64.18027	0.7
67.01799	0.7
69.03342	19.8
71.01267	32.3
71.04894	2.7
72.99195	3.6
73.02832	13.0
75.00759	0.9
79.01830	0.8
80.02568	2.0
81.03363	2.7
83.01286	5.2
83.04905	5.4
85.02840	10.3
85.06467	0.9
87.00775	4.0
87.05547	0.8
89.02338	16.1
90.70872	0.8
93.03365	2.4
95.01289	3.0
95.04932	1.4
96.95940	1.2
97.02850	6.0
97.06473	3.4
99.00789	5.9
99.04436	5.4
99.08051	1.4
100.04768	0.7
101.02345	23.9
107.04917	0.9
109.06509	7.1
111.08102	1.3
112.05186	1.6
113.02356	13.2
115.07539	2.3
119.03436	6.4
121.02883	1.9
122.03666	1.5
123.04446	0.9
123.08098	0.9
125.02364	3.2
125.05983	1.7
125.09646	7.1
127.07591	5.1
127.11176	1.1
128.03450	1.5
129.06651	0.9
131.03455	1.2
135.04451	1.3
135.08096	4.7
137.02386	0.9
137.09624	0.9
139.07628	1.2
141.01891	1.8
141.09142	1.6
143.03494	2.2
148.78836	0.7
149.04425	0.9
153.09148	24.0
153.12735	0.8
154.09468	1.4
155.10770	2.2
160.01537	0.7
160.03740	1.0
161.04506	7.3
163.11253	4.3
165.12793	2.2
167.03456	0.8
169.12379	1.1
171.10219	40.7
172.10582	1.9
173.04498	5.5
175.03908	0.9
178.09933	3.5
179.05577	2.5
181.12302	2.8
183.13907	0.8
185.00887	15.9
185.11789	7.7
187.07596	2.2
191.05602	1.3
191.10764	2.3
191.14310	1.3
193.05116	1.0
193.12289	1.1
197.11815	18.5
198.12090	1.4
199.13371	1.0
201.11348	0.7
207.10239	0.9
209.11813	71.2
210.12180	4.7
211.13377	8.5
223.13335	2.4
224.14027	0.8
227.12939	2.2
229.67929	0.9
235.13506	1.5
236.10542	1.6
237.14868	3.3
238.12105	2.7
245.19122	3.3
249.09286	2.9
249.15019	1.7
250.09320	0.8
251.16692	0.8
253.09315	43.3
254.09698	1.6
263.20139	1.4
267.16019	1.4
271.16943	1.2
279.19589	2.0
289.18155	13.0
290.18420	2.0
297.20667	2.6
307.19214	100.0
308.19598	8.6
311.07739	1.1
325.20261	81.8
326.20599	6.7
327.21912	1.0
339.16006	5.8
339.25522	1.7
350.37369	0.8
357.17126	1.1
357.26755	0.8
369.19205	5.4
375.27469	2.8
399.24011	1.7
407.19281	2.2
474.21350	4.5
483.29617	0.9
496.67462	0.8
501.22275	10.0
501.30838	9.9
502.22711	1.3
502.30780	1.1
519.22290	3.4
519.31891	1.9
538.77618	2.3
539.27924	1.5
543.28198	28.0
544.28589	5.0
561.29309	23.3
562.29559	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	561.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	8.2
59.01262	3.7
61.98705	1.4
67.01780	1.4
69.03318	1.8
70.72322	1.9
71.01268	3.2
72.99171	0.8
73.02818	1.2
75.23883	0.5
80.52972	0.6
81.03364	3.9
83.01273	5.6
85.02838	5.9
87.00770	1.5
87.81396	0.7
89.02351	1.0
93.03339	6.6
95.01288	1.5
95.04938	3.1
96.95927	1.3
97.02847	8.6
99.04429	0.7
101.02325	1.4
106.66222	0.7
107.01264	1.0
107.04931	1.6
108.02103	1.3
109.02858	21.7
109.03611	1.2
109.08629	0.6
111.00817	0.7
111.04375	1.0
117.03281	0.7
121.02877	4.6
122.03610	1.6
123.03546	1.0
123.04438	16.6
124.04819	0.8
125.02363	47.3
126.02677	1.9
127.03932	1.2
133.02881	4.1
134.03636	1.3
135.04449	3.5
137.02377	21.1
138.02718	0.8
139.03914	5.0
143.04950	0.8
145.02878	1.5
146.03641	1.2
147.04439	1.3
149.02377	6.9
150.03185	1.3
151.00311	2.4
151.03954	9.0
157.06531	1.0
159.04475	2.8
160.05191	1.2
160.21715	0.6
161.02396	6.5
161.06013	7.0
162.03099	2.0
163.00267	2.5
163.03938	2.6
164.01097	15.2
165.01880	7.9
165.23074	0.6
166.02592	1.2
167.03412	2.4
173.04503	6.1
173.05894	1.3
174.03191	0.7
175.03964	5.5
175.07588	2.7
176.01164	1.0
177.01881	4.8
177.05415	0.7
178.99834	2.3
179.03500	6.8
179.61060	0.7
185.06053	2.0
187.03983	6.3
187.07613	1.0
188.04732	4.1
189.05440	1.3
191.05583	27.5
192.05986	5.2
193.06123	0.9
201.05560	1.7
202.06258	1.4
203.03621	1.0
203.07117	14.3
204.07402	1.1
205.01425	4.8
205.05038	7.9
212.04765	1.1
217.05113	0.9
221.08194	2.7
225.05467	0.8
227.07129	3.6
229.05037	1.6
229.08812	1.2
231.02802	1.1
245.08199	16.9
246.08588	1.4
247.06133	1.0
253.05199	1.2
255.03067	1.6
255.06618	1.0
256.03702	1.9
257.04660	0.8
269.08182	0.7
271.06213	10.9
272.06485	1.5
273.07697	8.4
279.03085	1.2
285.04184	0.8
289.07242	100.0
290.07574	9.1
313.07465	0.8
328.05917	1.6
329.06631	3.0
339.08862	1.1
339.59232	0.8
381.09872	1.4
391.08017	0.8
407.07767	10.0
408.08069	1.6
409.09027	1.3
415.04922	0.8
425.08838	1.0
435.10904	11.0
436.11273	1.3
481.02698	0.8
543.12653	1.0
561.13806	5.7
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	559.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27783	0.2
59.01263	16.4
61.98717	2.5
71.01271	3.1
71.57851	0.3
71.58279	0.3
72.99190	0.3
73.02819	1.0
78.95349	0.2
78.95768	1.2
83.01270	0.3
85.02840	1.0
87.00758	0.3
88.36874	0.3
89.02335	3.2
99.00737	0.2
101.02348	3.2
106.98711	0.3
113.02325	1.2
119.03381	0.8
157.04999	0.3
161.04489	1.3
179.05550	0.6
196.03915	0.3
224.52411	0.3
235.08182	2.1
245.19109	0.3
253.09323	14.7
254.09647	0.8
263.20197	100.0
264.20541	9.2
264.23373	0.4
277.21716	2.0
278.22018	0.3
323.25934	0.5
324.17087	0.3
365.39319	0.2
452.41498	0.3
474.26181	1.9
475.27332	0.3
531.12347	0.7
546.38806	0.3
559.24054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14387	0.2
57.03337	12.0
58.03672	0.3
59.01270	1.2
61.98708	0.3
67.01765	0.4
68.88834	0.2
69.03339	0.7
70.07278	0.8
70.07693	0.3
71.01281	0.9
72.74664	0.2
73.02821	0.4
73.66206	0.2
75.02072	0.2
80.96397	0.4
81.03359	1.2
83.01284	2.1
83.84678	0.2
85.02859	0.6
87.00813	0.3
89.02337	0.3
93.03360	2.9
94.03699	0.3
94.98030	0.3
95.01254	0.6
95.04899	1.6
96.95930	0.5
97.02850	8.5
99.04414	0.5
101.02346	0.4
107.04912	1.3
109.02873	3.0
111.04398	0.3
117.03365	0.7
119.04945	0.7
121.02890	1.0
122.03652	0.6
123.00799	0.3
123.04453	4.0
124.01583	0.4
125.02368	100.0
126.02706	3.7
131.04939	0.3
133.02879	4.0
133.14032	0.2
134.03659	0.9
135.04460	2.6
137.02382	15.7
138.02953	0.6
139.03975	2.2
143.04842	0.3
145.02855	0.4
145.06606	0.3
146.80135	0.2
147.04431	1.0
149.02402	1.4
149.05994	0.3
151.03984	2.1
159.04515	0.9
161.02391	28.6
161.05966	1.2
162.02864	1.8
163.00343	2.0
163.03978	1.0
164.01109	3.3
165.01871	2.2
166.02629	1.0
171.04509	0.4
172.05106	0.4
173.04524	2.0
173.05946	0.4
175.03929	2.4
175.07573	0.3
176.01158	0.4
177.01895	3.4
177.05418	0.3
178.02599	0.4
178.99739	0.3
179.03464	1.1
181.82062	0.2
185.06085	0.5
186.06830	1.0
187.03989	2.1
187.07620	3.2
188.04712	0.4
189.05544	3.6
191.05597	2.0
201.05579	0.6
201.09196	0.4
203.03513	0.6
203.07150	0.7
205.01457	1.3
205.05070	0.7
205.08676	2.5
211.04041	0.4
211.07574	0.3
213.05559	0.5
214.06281	0.3
215.03568	0.5
217.05078	0.5
225.00827	0.3
225.05556	0.3
227.07014	0.4
229.05087	1.1
229.08705	3.1
230.05891	0.3
231.06648	1.4
241.20621	0.3
243.02971	0.3
243.06654	0.7
244.03906	0.3
245.04576	0.9
245.08179	0.9
255.02931	0.4
255.06647	1.0
256.03726	0.5
269.04675	0.8
271.06335	0.7
273.04333	1.4
273.07730	26.2
274.08032	2.5
281.08084	0.4
287.05704	8.1
288.06064	0.7
289.07248	6.0
290.07874	0.3
299.05670	6.8
300.06070	0.5
312.06543	0.4
313.07263	0.8
323.09384	1.3
329.06989	0.4
365.10382	0.6
391.08398	1.3
399.13086	0.9
407.07602	0.6
409.09381	6.0
409.14465	0.4
410.09818	0.8
425.08862	1.0
435.10889	5.5
436.11243	0.7
471.15570	0.9
561.13977	7.9
562.14343	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	559.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11697	0.5
52.25344	0.5
55.01772	0.6
57.03334	7.0
59.01263	10.1
59.01529	0.6
60.99203	0.5
61.98741	1.9
67.01797	2.3
69.03341	35.2
69.39025	0.9
69.39428	4.1
70.03696	0.7
71.01263	7.9
71.01604	0.5
72.99222	1.7
73.02860	1.9
78.95821	0.7
78.97606	0.5
79.01787	2.5
83.01311	0.8
83.04944	0.6
85.02843	3.3
87.00782	1.2
87.04466	0.5
89.02366	2.2
93.03355	9.0
93.03925	0.6
95.01291	7.1
95.04943	0.8
96.95941	1.4
97.02850	40.1
97.06507	1.6
98.03194	0.9
99.00771	7.0
99.04406	3.8
101.02351	3.6
105.03364	1.1
111.00817	1.0
111.04460	1.4
111.08080	0.8
113.02381	2.2
113.09646	1.1
115.00314	1.0
119.03435	0.7
123.00818	1.8
123.08062	4.3
123.96715	0.5
125.02396	2.0
125.09660	0.5
133.02881	9.0
134.03664	0.6
135.04489	1.7
137.02380	2.4
137.05946	0.5
139.11221	2.4
141.01868	34.5
141.09169	1.2
141.12805	0.6
142.02213	1.5
143.03462	1.0
143.61757	0.5
151.00322	1.6
155.03464	1.2
157.12346	1.4
159.02936	0.9
159.97874	0.6
161.04526	0.6
169.12378	0.6
173.04509	26.4
174.04913	1.3
177.01891	5.8
178.02348	0.7
178.99806	1.1
179.03371	0.9
185.00882	36.1
185.11786	16.6
186.01236	1.3
186.12196	0.8
191.05551	3.6
192.04216	3.6
203.01974	6.7
207.06673	1.6
214.12123	1.3
215.12849	1.3
237.01279	0.6
267.19650	0.6
285.20721	0.9
325.23813	1.2
327.21841	1.3
343.24860	1.3
353.06778	6.0
354.07074	0.6
355.25040	2.0
371.24451	2.1
373.26010	100.0
374.26355	12.2
385.09164	2.4
403.26019	0.6
409.19806	0.7
415.23624	0.7
492.50803	0.6
499.28839	0.7
515.28815	0.7
559.15302	5.1
559.27618	83.7
560.14880	1.2
560.27966	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	559.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.6
56.33954	0.4
57.03336	2.0
59.01258	4.1
61.98713	0.6
67.01775	5.7
69.03342	93.2
70.03675	2.6
71.01270	5.0
71.04958	1.2
72.99203	1.7
73.02840	0.4
77.03854	0.6
79.01801	1.7
81.03353	0.8
83.01276	0.5
83.04916	1.1
85.02842	1.9
89.02340	0.7
93.03358	27.0
94.03671	0.8
95.01287	2.9
95.04940	0.8
97.02850	18.5
98.03176	0.8
99.00776	25.3
99.04402	1.1
100.01118	0.7
101.02367	0.8
105.03383	3.5
109.02887	0.8
111.00803	0.8
111.04429	5.8
111.98556	0.4
113.02361	1.4
119.08740	0.4
123.00787	1.3
123.04459	0.5
123.37667	0.4
127.07555	0.4
133.02881	19.3
134.03218	0.7
135.04449	0.7
137.02379	4.8
141.01863	8.6
155.03415	5.0
159.19125	0.4
161.02400	0.5
173.04509	100.0
174.04849	4.0
177.01895	13.6
178.02567	0.9
185.00885	96.3
185.11752	1.5
186.01219	4.4
187.01370	0.9
191.05533	1.5
192.04256	7.4
193.04781	0.5
207.06627	4.7
208.06926	0.6
219.08147	0.7
242.02109	0.5
247.07689	2.0
268.57697	0.4
341.10440	0.5
351.07162	1.4
353.06778	1.1
373.25992	12.2
374.26303	1.7
385.09286	3.0
386.09555	0.5
559.15350	3.1
559.27606	21.0
560.14874	0.7
560.27887	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	559.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19229	0.1
55.01753	0.2
57.03339	2.4
58.00466	0.2
59.01267	5.2
60.99186	0.9
61.62439	0.2
61.98711	0.6
65.03845	0.2
67.01778	6.3
68.02118	0.2
68.11932	0.2
69.03340	3.9
70.31537	0.3
70.31931	0.5
71.01267	5.7
72.99194	0.5
73.02834	0.8
81.03334	1.1
83.01289	0.3
83.04929	1.3
85.02838	2.1
85.73772	0.2
87.00782	0.7
89.02338	0.9
93.03359	32.9
94.03696	1.2
95.01277	0.7
96.95906	0.8
97.02860	2.9
99.00774	1.0
99.04413	1.3
101.02351	1.5
108.02053	0.3
109.02866	1.1
111.00793	1.1
111.04432	5.3
112.04705	0.2
113.02345	1.4
116.92772	0.3
117.92823	0.2
118.92543	0.3
119.01300	0.2
119.03388	0.2
123.04403	0.2
125.02348	0.7
127.03933	0.6
135.04433	0.5
137.02373	5.2
141.01868	2.2
142.02112	0.2
143.03438	0.4
151.00304	0.2
155.03439	4.9
156.03746	0.2
159.04257	0.2
161.02351	0.3
161.04498	0.5
173.04510	100.0
174.03259	0.5
174.04829	3.9
175.03951	0.2
179.05516	0.3
185.00899	2.9
185.11813	0.5
191.05594	7.1
192.05954	0.3
203.01945	0.3
209.06139	0.3
210.06900	0.2
221.06174	0.4
222.06845	0.6
237.05659	0.7
238.06416	0.9
248.04822	0.2
249.05624	1.0
250.06369	0.6
251.03345	0.3
264.04318	0.3
265.05014	1.1
266.05859	3.8
266.08478	0.3
267.06418	0.7
276.03998	0.2
277.05151	0.8
281.08112	0.2
285.20755	0.6
292.03830	0.3
293.04651	5.8
294.05396	10.9
295.05829	1.5
297.04199	0.4
309.07724	2.3
310.08057	0.3
320.03296	0.6
325.07260	0.5
325.23853	0.4
335.05692	0.6
338.04440	1.3
339.04892	0.4
341.10245	1.2
342.10605	0.3
343.25015	0.2
353.06744	17.2
354.07132	2.0
355.24823	0.2
367.08411	1.6
373.26025	5.8
374.26291	0.4
385.09396	16.3
386.09698	1.9
499.28845	0.3
506.71927	0.2
527.12280	1.3
528.12402	0.4
530.25677	0.7
559.14575	4.0
559.27777	5.6
560.14893	1.0
560.27979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96265	0.4
68.75715	0.3
70.95271	0.8
70.95602	0.4
78.95795	59.5
93.98711	0.4
96.96867	13.2
114.49573	0.4
123.97672	0.4
150.97995	0.6
151.16910	0.3
152.99530	58.9
153.99860	1.0
171.00479	0.4
208.19298	0.4
222.50545	0.4
223.00116	1.8
241.01228	31.3
241.21754	69.7
242.01617	0.7
242.22099	6.3
259.02328	0.6
277.21799	1.3
278.22116	1.1
315.04959	9.8
316.05307	0.4
377.21005	4.4
378.21573	0.4
557.27429	100.0
558.14691	0.6
558.27747	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	557.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.8
57.03342	1.0
58.00455	0.5
59.01264	15.4
61.98711	1.8
67.01779	1.2
69.03343	100.0
70.03682	2.0
70.16081	1.4
71.01271	5.5
72.99197	2.1
73.02833	2.0
79.01788	1.7
83.01285	1.5
84.83984	0.5
85.02843	3.0
87.00776	1.1
89.02332	2.5
93.03365	0.5
95.01286	2.6
96.95910	0.5
97.02851	19.2
97.06467	0.8
98.03193	0.5
99.00777	25.5
99.04436	0.8
100.01129	0.8
101.02354	5.1
111.00760	0.5
113.02371	2.6
114.90948	0.4
117.59672	0.5
119.03429	1.1
123.00774	1.1
141.01859	6.1
161.04506	0.8
173.04459	1.5
185.00883	95.9
185.11800	1.3
186.01247	3.4
191.05493	0.5
242.77835	0.5
317.21350	6.5
318.21530	1.0
335.22324	14.4
336.22751	2.3
341.23019	0.6
371.24435	17.0
372.24680	2.2
497.27670	80.8
498.28027	12.8
557.25830	14.2
558.26373	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	557.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.6
57.03348	1.2
59.01260	15.8
60.21822	0.9
61.98708	1.7
67.01785	0.9
69.03345	100.0
70.23399	0.7
70.26659	0.8
71.01267	5.6
71.56358	1.2
72.99218	1.8
73.02834	2.6
74.00932	0.8
79.01794	1.4
81.43615	0.8
85.02838	3.5
87.00773	1.7
88.98724	0.9
89.02325	2.5
93.03343	1.6
95.01295	2.6
97.02853	22.2
99.00784	27.9
99.04420	1.5
101.02345	5.0
113.02354	3.9
119.03420	0.9
123.00807	1.0
133.46310	0.7
135.04413	0.9
141.01883	8.2
161.04442	1.5
173.04521	3.3
185.00893	99.0
185.11714	1.1
186.01274	4.8
191.05530	0.9
200.02811	0.8
211.46404	0.8
317.21265	3.2
335.22369	10.7
341.23514	0.9
371.24414	19.5
372.24719	2.1
497.27689	60.5
498.28110	8.5
557.25928	16.4
558.26471	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	557.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.2
60.01593	0.4
61.01678	0.4
61.98716	100.0
62.98411	0.2
71.58546	0.3
78.95800	1.8
80.96404	0.5
82.96003	0.6
90.06754	0.2
94.98012	0.2
95.11928	0.2
114.77493	0.2
145.38023	0.2
152.99574	0.6
166.90001	0.2
168.04256	0.2
205.94078	0.2
224.06961	0.3
225.00618	0.2
255.23346	4.0
256.23648	4.0
257.23953	2.2
258.24240	1.7
304.49887	0.2
310.12427	0.2
480.31085	1.3
481.31186	1.2
482.31870	1.7
483.31952	5.6
483.39011	0.3
484.32629	0.3
557.28259	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	557.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81975	0.7
56.25296	0.8
57.03333	5.6
59.00996	1.3
59.01264	17.2
60.01566	0.9
61.98725	4.2
63.77357	0.7
69.03345	50.8
69.65597	6.4
71.01272	11.1
71.04884	1.1
72.99204	2.2
73.02820	2.4
79.01777	3.1
83.01293	2.1
83.04906	1.0
85.02837	3.8
87.00774	1.7
88.98685	1.8
89.02316	3.6
93.03339	2.4
95.01280	9.0
96.95909	3.3
97.02852	45.8
97.06467	3.3
98.03175	1.5
98.20574	0.9
98.95465	1.7
99.00246	1.1
99.00785	11.0
99.04410	6.9
99.92469	2.6
101.02351	5.8
111.00751	1.2
113.02337	3.5
113.05965	0.9
115.00288	1.3
115.91964	3.3
116.92007	1.3
116.92768	17.1
117.92768	1.1
119.03423	0.9
123.00768	3.1
123.08016	1.1
125.02332	2.9
125.09572	1.7
135.04411	2.7
136.69626	0.8
137.02303	1.4
137.09596	2.1
139.00317	1.0
139.11182	3.5
141.00800	1.7
141.01872	33.1
141.09198	0.8
142.02200	1.0
143.03342	1.1
155.03401	0.9
157.12209	1.5
159.02972	0.8
161.04518	1.8
173.04538	6.3
175.04015	1.3
179.05553	1.3
185.00896	50.5
185.11809	17.6
186.01160	1.5
191.05542	2.1
193.05101	1.4
203.01953	8.6
213.11343	1.1
214.12007	3.0
215.12776	1.5
241.14441	1.1
243.16080	4.2
262.73425	0.8
311.22269	1.5
341.23398	11.3
342.23679	1.6
353.23111	2.2
371.24454	100.0
372.24863	10.7
521.33337	1.1
557.12567	2.9
557.25958	90.9
558.26398	16.9
582.58490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89619	0.4
54.19851	0.4
59.01256	1.5
60.68918	0.5
71.59197	0.8
78.95796	19.6
107.60717	0.5
110.01274	0.5
120.87054	0.5
125.09634	0.7
140.01111	3.7
143.93098	0.5
152.99522	2.2
170.76923	0.5
171.00587	0.8
196.03799	4.8
214.04837	3.3
265.78046	0.5
277.21786	100.0
278.02814	0.6
278.22116	11.0
280.46094	0.5
407.74020	0.6
425.98492	0.6
468.19101	0.5
474.26352	42.3
475.26611	5.8
477.97440	0.5
496.22977	0.6
515.25018	0.5
556.25940	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	557.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64674	0.3
59.01274	0.7
61.98718	0.3
63.44662	0.3
63.96110	0.5
69.94809	0.8
69.95218	1.2
71.01271	3.1
73.02863	0.4
78.95766	0.3
78.98474	2.6
79.95618	3.5
80.96412	23.0
80.98071	0.9
81.03352	0.7
81.95218	1.3
81.96351	0.9
82.95992	7.8
82.96823	1.1
85.02824	0.7
87.00770	1.0
90.56166	0.3
93.03365	2.4
94.97986	5.4
96.95915	0.5
96.97572	2.2
97.02824	0.4
101.02345	1.4
105.88461	0.4
106.97984	1.0
108.97581	0.4
122.97513	1.6
124.97039	0.7
125.02352	1.1
127.03949	0.5
134.97539	1.5
136.97090	0.5
148.99110	2.0
149.99406	0.5
150.98683	0.9
152.98552	2.1
154.98125	0.9
164.34497	0.4
164.98601	3.8
165.98915	0.7
166.98112	1.6
173.04533	0.9
182.99577	0.7
206.99658	0.9
219.08255	0.3
225.00769	4.3
226.01128	1.9
227.00169	2.9
243.01878	0.4
243.08163	3.7
245.09846	0.4
255.23274	1.4
256.23660	0.7
257.06158	1.5
258.06915	9.6
259.07587	3.0
260.48654	0.3
268.54709	0.3
271.07687	3.2
285.05594	3.6
286.06302	1.9
287.07004	0.6
299.04337	0.9
300.04794	0.5
301.04523	0.6
380.12231	1.0
396.11508	1.2
408.11618	3.2
424.11298	2.0
425.11716	0.5
454.14044	0.6
455.14600	0.5
456.15286	0.5
457.15866	1.7
472.14771	3.3
473.15482	4.0
474.15814	0.5
481.12167	0.8
483.13751	1.6
484.14838	0.7
485.15558	8.3
486.15891	1.9
500.14307	7.7
501.15024	14.7
502.15262	2.7
509.11935	1.2
510.12149	0.7
511.13461	1.9
512.13666	0.7
513.15112	6.1
514.15436	1.7
529.14520	21.3
530.14801	4.3
537.11322	1.0
538.12128	5.8
539.12872	3.9
556.19727	0.8
556.28888	30.9
557.14087	100.0
557.28101	31.2
558.14392	22.8
558.27423	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	555.2855
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01263	0.9
62.53526	0.2
63.96122	1.1
65.31058	0.2
66.69411	0.2
67.42627	0.2
69.03348	0.5
71.01268	6.1
71.07327	0.3
71.07657	0.4
71.48154	0.2
72.99233	0.2
73.02835	1.5
73.63058	0.2
78.98486	4.7
79.95621	8.8
80.96410	59.5
81.03343	0.8
85.02843	2.5
87.00777	2.2
91.03901	0.3
94.97987	13.5
95.01232	0.4
96.95915	1.0
97.02849	1.0
99.00787	0.7
101.02341	3.2
101.69982	0.3
106.97979	3.2
113.02328	0.4
122.97497	4.8
122.98343	0.5
125.02380	3.3
127.03904	0.8
134.41106	0.3
134.97496	4.6
136.99065	1.1
146.97525	0.3
148.99077	5.6
152.97412	0.5
152.98576	6.5
161.71208	0.2
164.98589	10.3
182.99646	2.3
186.01056	0.3
206.99693	3.3
211.87114	0.3
225.00752	17.0
226.01053	0.6
243.01758	1.8
255.23320	3.0
299.04465	2.9
300.04907	0.3
377.03894	0.3
555.28528	100.0
556.28888	15.9
565.89856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69061	0.1
59.01264	23.9
60.01603	0.2
62.96312	0.1
68.58106	0.1
71.01268	0.2
77.39774	0.1
78.95795	19.8
79.65199	0.1
79.95636	0.1
80.96408	1.1
96.96868	0.3
120.53883	0.1
122.97548	0.1
122.98461	0.3
141.11530	0.1
148.99251	0.1
152.98346	0.2
152.99535	3.0
168.04265	3.1
194.05824	0.2
205.36118	0.1
224.06941	8.2
224.35046	0.1
225.00778	0.2
225.07301	0.4
229.67731	0.1
236.23323	0.1
238.91229	0.1
242.08006	2.0
255.23331	100.0
256.00259	0.1
256.23679	9.2
391.22879	0.1
408.98727	0.1
480.31058	65.0
481.31424	8.4
495.27283	0.3
555.28467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	17.3
59.90482	0.2
60.01600	0.2
61.98715	0.8
69.29467	0.7
69.29899	1.1
78.95798	4.2
80.96356	0.2
88.43929	0.2
119.54787	0.2
152.99553	1.4
158.35130	0.1
161.16536	0.2
164.00047	0.1
168.04259	1.2
176.37410	0.2
218.71730	0.2
224.06999	0.8
237.22258	0.2
242.08041	2.4
246.37709	0.2
255.23332	100.0
256.23672	9.4
256.26431	0.4
299.51190	0.2
480.31064	36.7
481.31406	5.9
541.81635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71422	0.9
55.01759	1.3
57.03328	3.8
58.00470	3.0
58.15741	0.8
59.01262	71.7
61.98724	7.1
69.03336	5.0
69.64720	0.7
69.65032	6.0
71.01266	67.2
72.99201	5.5
73.02836	10.3
75.00741	1.4
83.01276	3.5
85.02835	11.7
85.99973	0.9
87.00770	7.8
88.98724	1.0
89.02333	78.1
90.02668	1.1
93.03368	4.6
95.01275	4.6
96.95901	4.7
97.02832	3.4
99.00762	2.4
99.04417	1.0
101.02342	68.0
102.02676	1.7
107.03368	1.0
109.02862	1.1
111.00768	1.7
111.04412	1.3
113.02355	27.8
114.02671	1.0
115.92002	1.2
116.92775	6.3
119.02580	1.8
119.03414	33.4
120.03651	1.1
122.06030	0.8
125.02361	3.4
125.06870	0.8
129.01868	1.0
131.03430	7.2
133.02888	1.3
134.03712	1.4
135.04431	1.8
137.02390	1.7
141.01830	0.9
143.03423	9.5
145.02852	1.3
149.04472	3.9
152.07170	0.9
159.02815	0.9
161.02409	1.6
161.04495	19.5
166.05078	3.9
167.05426	1.3
173.04494	6.7
175.03937	1.5
179.05566	100.0
180.05913	3.5
181.13719	0.9
185.00890	5.1
189.70377	0.8
191.05615	1.9
198.65030	1.0
221.06651	27.1
222.07037	1.8
281.09009	1.3
281.78299	0.8
315.08453	1.1
341.10849	2.0
414.63245	0.9
458.14395	1.4
495.31659	3.2
523.19696	1.0
555.25653	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	554.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
61.98708	0.3
67.15924	0.2
71.59824	0.3
78.95792	6.0
80.96405	0.7
93.67816	0.2
94.97937	0.3
109.26061	0.2
152.99522	0.8
167.09850	0.2
168.04266	1.5
220.77388	0.2
224.06984	0.8
242.08014	2.3
244.95064	0.2
247.59813	0.2
261.22305	0.7
279.23340	100.0
280.23688	9.7
280.26813	0.4
324.08255	0.2
403.35437	0.2
504.31082	42.3
505.31448	6.0
505.38919	0.3
554.27509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49921	0.4
59.01262	0.8
63.19180	0.3
71.51002	0.7
77.77509	0.3
78.95795	21.5
79.95631	0.4
80.96410	2.0
85.91346	0.4
94.44147	0.3
100.81609	0.4
152.99556	3.1
164.98743	0.3
168.04294	3.7
168.75822	0.3
173.04514	0.4
224.06927	9.9
225.00804	0.5
225.07195	0.4
242.08043	2.7
279.23343	100.0
280.23682	9.4
326.07388	0.4
390.16071	0.4
393.93472	0.3
439.38672	0.3
453.67441	0.3
504.31079	77.2
505.31424	12.2
554.27234	2.8
555.26935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11747	0.7
57.03346	1.0
59.01264	10.7
61.98710	8.6
67.38343	0.9
69.03343	4.6
70.76823	1.7
71.01261	4.5
72.57385	0.8
73.02818	2.1
74.76144	0.8
74.80245	0.8
78.95786	1.6
79.95599	2.5
85.02828	1.5
89.02325	2.2
89.07648	0.8
93.03323	2.1
94.06496	2.8
96.95913	100.0
96.96796	4.0
97.02843	0.9
97.95830	2.8
98.95506	10.6
98.96185	1.6
98.96301	1.5
99.00802	1.4
99.04453	1.1
99.10625	0.8
99.92478	9.2
99.93089	1.2
101.02336	3.5
107.03685	6.5
108.02066	1.0
113.02329	1.0
115.91989	12.9
116.92776	43.0
119.03373	1.0
120.04453	1.3
122.06039	48.5
123.06347	1.4
124.07590	2.1
125.02373	1.1
132.04482	5.0
134.06021	2.4
135.04419	1.5
138.05502	3.0
139.02654	3.4
141.01823	1.1
145.02876	4.5
146.03224	1.6
152.07114	95.8
153.07462	4.0
158.02397	1.5
160.03967	2.4
161.04524	1.4
164.03403	0.8
166.05070	2.0
173.04494	3.7
176.03419	1.3
178.04985	0.8
179.03357	0.8
185.00883	1.9
190.05058	6.5
191.05560	2.5
192.06622	5.3
201.18968	0.9
209.10727	0.8
213.10272	6.0
222.07918	1.7
225.06728	1.6
237.06703	1.6
237.10335	17.3
238.07146	1.2
238.08859	1.4
238.10765	1.0
239.08211	1.9
245.05815	1.3
251.08218	3.8
252.08786	1.1
253.09885	6.8
254.10509	1.2
263.08310	1.5
264.05637	1.4
265.06210	4.7
265.09818	1.9
266.07028	12.2
277.06268	1.2
278.07056	3.3
279.07739	3.2
280.08606	4.7
281.09369	50.6
282.09665	4.0
293.09399	24.0
294.09811	3.6
313.11969	8.0
314.12457	0.9
325.11868	2.2
341.11353	3.5
341.38907	0.9
355.13098	7.1
356.13293	1.1
357.14615	2.6
374.19144	1.2
379.47244	1.0
390.14453	0.9
402.18420	4.3
418.17856	2.2
420.23746	0.8
446.17358	31.2
447.17639	4.9
450.20261	1.1
451.10788	1.7
469.11847	2.1
478.19955	50.4
479.20389	8.9
490.16251	15.3
491.16626	3.0
493.11423	1.2
510.22607	18.3
511.12796	3.2
511.22791	2.9
522.18927	67.3
523.19275	11.5
554.21698	21.6
555.11731	12.0
555.21661	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61254	0.8
57.03323	1.7
59.01270	8.6
61.70216	0.9
61.98725	4.1
69.03356	4.8
70.33862	3.4
71.01272	4.6
72.99197	0.9
73.02814	1.3
78.95780	1.1
83.04883	1.0
85.02839	1.0
89.02334	2.3
93.03362	2.0
94.06538	4.8
96.95892	2.4
97.02887	1.0
99.00757	1.0
99.04407	1.1
101.02328	3.0
107.03677	8.8
109.02850	1.1
113.02348	2.0
116.92767	1.3
117.03388	1.3
118.03827	0.8
120.04462	1.6
122.06042	55.5
123.06383	2.6
124.07610	1.2
125.02437	1.3
130.92863	0.9
134.03687	1.1
134.06050	2.2
135.04472	1.8
137.02466	0.8
137.50497	0.8
139.02730	4.6
141.01837	0.9
145.02892	5.5
146.03230	2.1
150.05492	1.5
152.07117	100.0
153.07486	4.4
160.03902	1.1
161.02345	0.8
161.04446	1.4
166.05045	1.5
173.04526	5.2
178.71619	0.7
179.03384	1.6
185.00870	3.6
190.05042	1.4
191.05501	1.9
210.09439	0.9
211.08789	1.0
213.10345	4.0
223.08754	0.9
225.06606	1.9
225.10260	1.5
235.08769	0.9
237.06815	2.4
237.10364	8.6
238.07457	2.7
238.08922	0.9
239.08217	2.2
251.08278	5.0
252.05371	1.3
252.08945	1.9
253.09840	7.4
263.08304	1.9
265.06216	8.6
265.09799	4.5
266.07037	14.9
267.07455	1.4
278.06995	4.8
279.07797	4.6
280.08517	6.4
281.09381	83.1
282.09680	7.7
293.09421	45.1
294.09915	5.5
312.72797	0.9
313.12039	9.7
325.11975	1.2
355.13055	1.7
375.27612	1.7
376.27765	2.7
377.78757	1.1
378.18277	1.0
402.18240	2.6
411.16525	1.4
418.17673	5.9
446.17334	70.7
447.17612	12.1
478.19955	24.3
479.20367	4.3
490.16287	35.4
491.16528	6.9
522.18958	83.3
523.19318	17.6
554.15955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82870	0.4
55.82929	0.3
59.01265	4.0
59.87382	0.3
60.49812	0.3
61.98708	0.6
62.32676	0.4
68.78385	0.4
71.01283	0.3
71.29877	0.8
78.95795	30.8
83.04896	0.5
91.26011	0.4
96.96862	0.8
99.64705	0.4
99.87018	0.3
105.02778	0.4
129.79974	0.3
152.99541	3.7
168.04251	5.0
217.91846	0.4
224.06923	10.6
225.07274	0.4
233.22632	0.5
235.07771	0.4
242.08006	3.1
253.21759	15.2
253.63200	0.4
254.22095	1.1
259.20856	0.4
275.20181	0.5
277.21780	100.0
278.22144	11.2
278.24445	0.3
424.58096	0.5
478.29523	5.1
479.29971	0.7
502.29532	90.7
503.29852	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	553.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23301	0.7
57.03332	0.9
59.01265	7.0
59.24777	0.7
61.98703	3.5
64.97505	0.7
69.03339	5.9
69.43936	2.2
69.44362	3.8
71.01270	4.2
72.99210	1.1
73.02833	1.1
75.00760	0.8
78.95813	1.1
85.02849	2.5
87.00774	1.2
88.98691	1.2
89.02333	1.6
93.03349	2.1
95.01289	0.8
96.95907	3.5
97.02854	1.5
98.95455	0.7
99.00783	2.2
99.04373	0.7
101.02355	2.6
107.04937	2.0
111.00800	1.6
113.02358	1.1
115.91985	1.1
117.03400	0.8
123.04443	3.8
132.02052	1.3
133.02863	1.3
134.03680	8.4
135.04454	100.0
136.04797	4.7
137.02356	1.0
145.02872	3.2
149.06039	1.4
151.03983	5.2
160.01608	11.3
161.02415	3.8
161.04446	0.9
173.04515	5.8
173.94542	0.7
175.03960	20.4
176.04358	1.6
177.60262	0.7
178.02760	0.8
179.03467	50.0
180.03830	2.0
185.00880	5.0
191.05597	2.4
191.07195	1.1
193.05049	7.8
289.82385	0.8
323.07846	3.2
337.09381	21.9
338.09763	1.7
341.08743	1.1
347.93277	0.8
379.03165	0.7
473.14600	4.1
489.14166	2.1
508.28323	1.4
517.13654	24.5
518.13940	3.0
553.11298	2.4
553.23163	0.9
553.31219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99706	0.2
56.37854	0.2
59.01263	14.8
61.98724	0.3
62.93049	0.2
71.01267	2.3
73.02840	0.9
79.48395	0.2
80.96403	0.4
83.01289	0.5
85.02847	0.7
87.00778	0.6
89.02335	2.5
93.03345	0.5
94.52065	0.2
100.24945	0.3
101.02348	2.5
113.02352	1.2
119.03415	0.6
127.85637	0.2
133.04961	0.4
157.04893	0.2
161.04477	1.0
173.04503	0.8
173.05951	0.3
178.75705	0.2
179.05525	0.3
180.27805	0.2
191.05586	0.3
200.12376	0.3
235.08269	2.2
253.09319	12.9
254.09605	0.9
255.23329	100.0
256.23676	9.9
269.25156	0.3
367.42361	0.2
491.32339	0.8
492.32474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70448	0.3
58.48746	0.3
59.01264	11.0
69.20662	0.2
69.51342	0.3
70.36545	0.6
70.36924	0.7
71.01270	3.1
73.02831	1.0
73.18251	0.2
80.96402	0.7
85.02837	0.7
87.00786	0.5
88.56111	0.3
89.02339	2.2
93.03354	0.6
95.77617	0.3
100.31787	0.3
101.02351	2.5
111.57842	0.3
113.02387	1.5
119.03406	0.7
134.03641	0.3
143.03491	0.3
145.85350	0.3
161.04453	1.0
173.04494	0.8
179.05559	0.3
184.68242	0.2
235.08237	2.8
253.09335	12.1
254.09752	0.9
255.23320	100.0
256.23648	9.6
269.90604	0.3
305.22534	0.3
463.72150	0.4
491.32425	0.7
570.86346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11060	0.2
53.21918	0.2
59.01258	1.3
61.98703	0.3
70.87971	0.5
71.01258	0.2
78.95793	7.6
111.43740	0.2
145.53459	0.2
147.40855	0.2
152.99513	1.1
158.98570	0.2
168.04231	1.6
208.25499	0.2
224.06879	1.4
233.22748	0.4
242.07993	3.1
259.20779	0.7
275.20187	0.4
277.21777	100.0
278.22122	9.5
297.30627	0.2
337.17505	0.2
378.59781	0.3
378.64651	0.2
502.29535	44.3
503.29855	7.0
521.17957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39079	0.5
55.33471	0.6
59.01265	12.4
63.40662	0.6
71.01278	2.5
71.59359	0.7
73.02817	0.8
85.02819	1.0
89.02340	1.8
101.02355	2.7
113.02348	1.4
116.58636	0.6
119.03450	0.6
119.20330	0.7
157.75751	0.6
161.04500	1.1
235.08229	2.4
253.09344	10.9
253.21761	100.0
254.09613	0.9
254.22107	8.3
272.91119	0.7
479.50751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.2
56.46283	0.2
59.01264	13.9
60.01589	0.2
66.66405	0.2
69.92913	0.3
69.93319	0.9
71.01266	2.4
72.99207	0.2
73.02825	0.7
83.01266	0.3
85.02840	0.7
87.00787	0.4
89.02334	2.4
92.84113	0.2
99.00744	0.3
101.02336	2.5
103.03876	0.2
113.02380	1.2
119.03424	0.9
128.06183	0.2
130.52400	0.2
133.04958	0.2
139.64560	0.2
143.03453	0.3
161.04485	1.6
175.58347	0.2
179.05507	0.2
235.08238	1.9
253.09340	12.3
253.21754	100.0
254.09685	0.5
254.22086	9.3
256.67142	0.2
489.30759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.1
57.03332	3.8
58.00480	3.3
59.01265	92.9
60.01593	1.8
61.98719	9.1
62.73397	1.8
67.90853	1.8
69.03351	10.1
70.55836	3.1
71.01270	96.3
72.01638	2.3
72.99184	8.1
73.02834	14.3
78.95795	2.8
81.03335	2.5
83.01283	8.0
85.02843	22.1
87.00769	9.6
89.02335	100.0
93.03387	3.7
95.01288	3.5
96.95924	2.1
97.02859	7.5
99.00779	5.4
99.04427	2.3
101.02348	71.2
102.02646	1.8
111.00778	4.2
113.02356	40.7
119.02581	3.2
119.03416	50.6
119.30325	1.5
125.02367	41.3
126.44065	2.2
131.03427	12.2
135.04469	1.7
139.03957	2.6
143.03442	14.4
145.02907	2.3
149.04535	3.5
161.04517	18.5
167.03458	3.0
167.10727	43.7
173.04509	8.9
179.05588	60.9
179.07204	3.6
185.00877	3.4
191.05467	2.3
221.06636	27.6
231.77036	1.7
241.04298	1.9
245.06689	2.6
263.07654	7.8
306.68066	1.7
323.09903	75.3
324.10196	3.9
353.23428	5.8
365.12842	2.0
368.94385	2.0
389.25467	2.4
551.27673	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	549.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.1
59.01273	0.6
60.32624	0.0
61.64535	0.0
63.42754	0.1
67.01765	0.0
69.03344	0.1
69.54204	0.5
71.01255	0.3
77.75538	0.1
78.95791	3.1
79.95628	2.1
79.96100	0.1
83.02397	0.1
83.04905	0.1
85.02845	0.1
87.00742	0.1
89.02348	0.2
93.03329	0.1
96.95916	100.0
96.96802	5.2
97.95839	0.3
98.02374	1.2
99.01913	0.1
99.04393	0.1
101.02348	0.1
113.02331	0.1
125.02312	0.1
133.02873	0.2
135.04411	0.2
161.02396	0.6
161.04480	0.1
173.04539	0.2
178.99820	0.1
179.03485	0.1
185.00911	0.1
188.30531	0.1
191.05592	0.2
194.92181	0.1
199.09515	0.1
224.17821	0.1
225.16142	0.1
271.02518	0.1
300.02792	0.1
319.66205	0.1
333.22931	0.1
371.09131	0.1
449.31839	0.1
490.34103	0.9
505.09879	0.1
549.22949	0.5
549.31653	0.1
550.24359	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	549.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.0
57.03339	26.5
58.00474	2.1
59.01266	61.2
61.98722	4.0
69.03330	2.7
69.96444	0.7
71.01272	54.9
72.99191	2.2
73.02835	19.5
75.00766	1.1
78.95792	1.1
79.05434	1.6
83.01284	8.9
85.02843	11.0
87.00760	2.7
89.02339	27.0
93.03354	2.5
95.01256	2.8
96.95934	4.5
97.02861	1.6
97.06484	2.5
99.00764	1.8
99.04419	5.6
101.02348	37.9
108.02034	1.1
109.02864	1.3
111.88427	0.8
113.01634	1.0
113.02364	13.5
113.05990	1.5
115.91961	2.7
116.92844	1.0
119.03421	11.0
123.04450	4.0
125.02344	3.4
127.11217	1.4
131.03406	1.8
134.03633	1.3
135.04391	1.2
137.63055	0.8
139.11206	1.5
141.05496	0.9
143.03377	2.1
149.04514	1.3
153.12787	8.8
155.03516	0.9
160.01587	0.9
161.02359	1.4
161.04509	3.3
171.10229	3.4
171.24728	0.9
173.04492	6.8
175.03954	1.5
179.05542	1.6
191.05557	1.8
193.05125	0.9
199.13345	7.7
202.02673	1.4
211.13397	4.4
225.11084	0.9
225.14964	6.8
229.14502	2.8
291.19537	1.2
293.06873	1.3
300.02982	1.5
327.21838	30.0
328.22110	3.0
376.59106	0.9
387.20053	2.7
405.21378	100.0
406.21661	9.9
447.22437	58.7
448.22754	5.7
487.25601	12.9
488.26041	1.5
549.25580	32.7
550.26135	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	549.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	14.7
60.76276	0.3
71.01268	2.3
71.59336	0.6
72.99175	0.4
73.02844	0.4
78.95789	0.8
83.01273	0.5
85.02853	1.0
87.00747	0.5
89.02317	1.8
91.03902	0.3
96.95913	3.7
97.06475	0.4
101.02345	2.6
102.39030	0.3
113.02339	0.8
118.54202	0.3
119.03370	0.6
152.99461	0.4
161.04475	0.9
170.20564	0.4
220.90125	0.4
235.08200	2.5
253.09317	12.3
253.21753	100.0
254.09573	0.5
254.22076	9.0
255.23409	0.7
334.20099	0.3
452.27991	0.6
457.41953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.09
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46090	0.7
57.03325	1.4
59.01261	14.1
61.98716	3.2
65.00204	2.6
69.03357	5.1
69.42068	2.1
69.42473	6.9
71.01266	7.5
72.99202	1.2
73.02838	2.7
73.15176	0.8
83.01276	2.1
85.02847	3.9
87.00774	1.7
87.56137	0.8
89.02348	3.9
93.03361	3.6
95.01241	0.9
96.95920	7.3
98.13313	1.0
98.20564	1.7
98.95451	1.3
99.00761	2.1
99.04440	1.3
101.02341	5.3
107.01315	3.8
108.02080	2.4
109.02879	1.5
113.02330	2.7
117.03429	1.1
119.03395	1.9
121.02877	2.9
123.04430	1.8
125.02383	2.2
133.02911	2.2
134.03613	1.6
135.00815	1.5
135.04402	3.0
137.02380	1.9
141.01895	1.5
145.02896	1.8
148.01666	2.3
150.03117	1.1
151.00313	13.1
159.04433	0.9
161.02379	3.4
161.04546	1.3
163.00294	2.8
169.01485	1.4
173.04594	6.4
175.04054	1.1
178.99805	6.5
179.03413	0.9
185.00851	2.9
187.03983	1.1
191.05603	4.1
199.03984	1.6
201.05466	1.0
211.04131	1.5
215.03516	1.4
226.02696	1.4
227.03520	3.9
235.07767	1.0
243.03038	14.6
244.03334	2.0
245.04521	1.0
254.02165	1.9
255.03021	36.8
256.03397	2.7
271.02539	69.1
272.02917	7.7
273.04114	1.4
283.02469	1.6
299.02145	2.1
300.02805	100.0
301.03510	51.5
302.03970	3.6
351.93454	0.9
387.12119	1.4
434.10587	0.9
445.07913	3.0
463.08875	3.2
505.09991	81.3
506.10300	11.8
549.12488	1.2
549.20563	3.2
549.29211	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	548.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.8
59.01260	7.2
61.98725	9.0
72.34673	1.3
79.06300	1.4
83.04869	1.4
88.00296	7.0
92.04919	1.3
93.03366	4.2
98.20573	3.2
108.02068	6.4
109.02859	31.4
111.00845	1.5
120.04449	4.4
121.02862	5.9
122.03651	12.4
123.00793	1.8
123.04444	41.7
124.01594	4.4
124.04774	1.7
125.05887	1.8
125.09657	3.8
130.01395	2.5
134.03658	7.5
135.04462	23.0
136.01591	8.0
137.02377	74.0
138.02719	3.2
141.09215	1.7
141.85136	1.4
148.03972	23.6
149.02367	4.0
149.04771	11.7
150.03105	4.2
150.05553	77.8
151.03970	8.1
151.05875	4.0
152.03456	18.6
153.09096	1.4
154.02644	3.1
166.05049	57.5
166.06459	3.1
167.05870	6.4
168.06631	21.8
169.06963	1.4
171.10204	3.6
173.04550	2.1
175.03954	1.9
176.03482	44.9
177.04274	16.1
178.05060	100.0
179.05377	5.4
191.05534	1.9
191.07379	1.2
194.04568	54.1
195.05316	15.5
196.06119	38.8
199.09732	3.7
200.10506	3.1
201.11255	4.0
222.04065	12.3
229.43095	1.7
238.03494	7.5
240.05128	4.9
247.20656	4.1
253.09334	1.8
265.21933	1.5
291.19910	7.3
291.22607	1.5
293.21005	1.6
296.70047	1.3
307.19263	3.2
309.20776	85.2
310.21112	9.2
311.22101	2.1
312.22696	1.9
389.16739	2.2
407.17517	3.8
417.22794	9.8
418.23032	1.9
458.25626	4.9
468.23672	1.5
476.26715	23.4
477.26929	4.4
486.25101	40.9
487.25244	5.1
504.26157	50.8
505.26453	9.6
548.25122	49.0
549.25403	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	549.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.4
61.98711	0.4
66.09841	0.2
70.81501	0.4
70.81828	0.2
77.03844	1.7
78.57973	0.2
93.03365	0.4
95.21815	0.2
121.02872	100.0
122.03216	3.4
137.02332	0.2
147.04407	0.3
147.15585	0.2
165.01884	53.7
166.02231	2.2
180.05748	0.6
181.06580	2.6
181.35495	0.2
182.06802	0.2
197.06067	2.5
198.06398	0.2
202.50580	0.2
207.04471	1.0
207.08109	0.4
223.04115	0.4
225.05611	1.7
251.07166	0.4
257.09778	0.6
281.29547	0.2
301.08817	0.4
304.30896	0.2
313.07217	1.1
313.17755	0.4
357.06247	0.8
373.10602	0.2
383.07712	0.5
417.09933	2.1
443.54959	0.2
475.77609	0.2
505.11502	1.6
506.12131	0.2
528.29120	0.2
549.10498	34.8
550.10840	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	549.09
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.64188	0.3
58.24252	0.3
59.01242	0.7
61.50962	0.4
62.20559	0.3
62.69696	0.3
65.00200	1.4
65.95741	0.4
71.45213	0.6
77.69306	0.3
83.01265	0.5
91.01810	0.4
107.01281	2.7
108.02098	1.4
109.02859	1.6
119.01188	0.3
121.02861	1.4
125.02390	0.5
125.29488	0.3
128.64883	0.4
135.00734	0.9
148.01605	1.6
151.00302	9.7
152.00729	0.5
163.00316	2.3
169.01384	0.4
178.99820	5.5
180.00145	0.5
183.04665	0.7
183.93471	0.4
187.03886	0.4
190.99980	0.4
192.00610	0.4
199.04025	0.7
211.04031	1.3
212.04626	0.4
215.03394	1.2
226.02731	1.6
227.03523	2.7
229.01527	0.4
229.05069	0.5
239.03477	0.6
242.02521	0.4
243.02998	10.1
244.03493	1.0
245.04607	1.3
254.02284	2.0
255.03015	26.5
256.03406	2.8
266.02289	0.4
271.02527	57.2
272.02982	5.8
273.04047	1.0
283.02643	1.4
299.02017	1.3
300.02802	100.0
301.03488	39.7
302.03949	2.5
463.08380	1.8
505.09988	55.0
506.10300	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	548.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00343	1.0
59.01263	31.5
61.98711	10.9
64.82677	1.1
66.06709	1.3
71.01265	9.0
71.06635	1.2
73.02839	4.7
74.02361	78.4
75.00761	2.2
78.27741	1.1
83.01280	3.2
85.02850	4.2
87.00792	1.9
88.98682	3.7
89.02339	1.9
93.03337	1.8
95.01307	1.4
96.95934	2.7
99.00812	1.3
101.02380	6.8
113.02351	4.4
130.08635	1.6
135.86482	1.2
152.99612	1.4
160.01552	1.2
173.04510	5.2
191.05574	4.4
201.05576	2.4
202.06357	2.7
229.08688	4.0
230.09521	2.4
256.22882	1.5
257.32288	1.2
260.60303	1.2
444.25934	5.4
452.16919	2.8
462.27255	11.1
486.26962	2.9
504.28247	100.0
505.28467	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03338	1.7
58.00490	0.5
59.01265	100.0
60.01602	1.2
61.98720	1.1
66.31178	0.2
67.01778	0.3
69.03346	0.8
69.83281	1.2
71.01271	13.6
71.04917	0.6
72.01592	0.3
72.99185	0.9
73.02837	5.7
73.03251	0.3
75.00773	0.5
78.95824	0.3
81.03358	0.3
83.01279	5.6
85.02841	9.6
86.00011	0.5
87.00777	1.1
89.02344	1.3
93.03383	0.7
95.01296	1.6
96.96854	0.2
97.02863	1.1
97.06503	0.2
98.19854	0.2
99.00771	2.8
101.02349	12.6
102.02699	0.3
105.57442	0.2
109.02899	0.2
109.41609	0.2
111.00785	1.8
112.01578	0.7
113.02360	7.3
114.02646	0.2
115.03957	0.4
119.03421	0.2
121.10149	2.7
124.01590	0.6
125.02388	1.5
129.01880	0.5
134.03627	0.2
135.04462	0.2
141.01868	0.2
141.12782	0.2
143.03444	1.5
150.05551	0.2
157.12270	0.3
159.02962	1.5
160.01584	0.3
161.04492	4.6
171.13873	0.6
171.43733	0.2
173.04520	1.3
173.05826	0.2
175.03906	0.3
179.05467	0.3
183.13942	0.2
185.15425	2.6
191.05551	0.3
205.03606	0.2
213.18694	0.2
291.05023	0.8
309.20819	0.3
311.22232	0.5
313.27554	0.6
315.18207	0.5
319.04517	1.2
325.27628	1.4
329.19827	2.6
333.19241	0.8
341.27127	0.3
343.28613	2.6
344.29044	0.2
347.20761	4.1
427.30621	0.5
439.30588	0.7
451.30606	0.4
457.31918	0.7
469.31738	1.0
471.46365	0.2
487.32867	47.0
488.26025	0.3
488.33203	8.3
505.33963	20.8
506.34265	3.1
535.18097	0.3
547.27515	0.3
547.35413	1.7
548.35449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	21.3
61.98701	0.9
69.70428	2.3
69.70861	2.3
71.01270	2.7
78.95794	0.9
81.03313	0.7
85.02825	1.3
87.00777	0.8
89.02342	3.0
93.03372	0.9
96.95920	0.9
100.90353	0.6
101.02341	4.1
111.04459	0.8
113.02339	1.5
119.03415	1.2
131.03593	0.7
133.91592	0.7
155.42894	0.6
161.04552	1.5
173.04535	2.2
211.83167	0.8
225.65405	0.7
235.08276	1.9
247.16951	0.7
249.18634	100.0
250.18976	9.0
253.09351	15.6
254.09604	0.9
309.20819	1.6
443.76953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.5
57.03335	2.7
58.00505	0.6
59.01264	9.6
59.28078	0.5
60.99175	0.7
61.98705	2.6
63.37373	0.5
67.01771	1.2
69.03343	33.3
70.03677	0.7
71.01276	7.8
71.58760	0.7
72.99206	0.8
73.02841	1.2
78.95807	0.8
79.01744	2.4
80.40714	0.5
83.01288	0.8
83.04893	0.7
85.02852	2.9
87.00756	2.5
88.36095	0.5
89.02332	1.2
93.03362	3.9
95.01297	6.4
96.95912	1.4
97.02853	47.3
98.03195	1.2
99.00792	5.9
101.02342	2.2
111.00802	1.5
111.04440	0.9
113.02381	1.4
115.00316	0.6
123.00830	3.0
125.02333	1.0
127.11264	0.9
133.88406	0.5
134.03676	0.5
135.04465	0.6
137.02429	1.9
137.09624	0.5
141.01869	49.7
142.02194	1.7
145.02922	0.9
153.39986	0.5
155.03459	0.8
159.02988	0.9
160.01761	0.5
161.04527	0.8
163.04015	0.8
166.64293	0.4
171.10208	0.6
173.04498	8.2
174.00842	0.5
185.00883	29.4
185.11853	0.8
186.01276	1.0
186.06891	0.6
191.05537	3.1
203.01952	6.0
214.06332	0.8
219.08171	2.0
220.42345	0.5
229.08539	0.6
253.09048	0.9
263.07059	0.6
291.19733	0.7
306.91257	0.6
309.20850	2.7
311.12820	0.8
311.22543	1.1
311.26050	1.2
313.23914	8.4
314.24164	0.9
341.27078	2.6
353.13998	1.0
357.26459	2.0
357.95236	0.5
359.28098	100.0
360.28461	10.9
371.15039	2.1
511.02902	0.6
545.15009	2.3
545.29773	92.6
546.30054	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	547.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.6
57.03342	4.3
59.01263	35.1
61.98726	2.3
62.73038	1.6
69.03345	26.9
70.12154	6.6
71.01270	24.1
72.99194	3.7
73.02831	5.9
78.95800	4.6
79.13699	1.4
83.01269	3.9
85.02843	8.2
87.00793	3.8
88.98698	5.3
89.02340	11.9
93.03352	15.9
95.01263	2.5
96.95907	19.7
97.02856	7.2
98.95513	2.6
99.00774	14.5
99.04397	2.2
101.02340	12.5
107.04897	1.6
109.02903	2.1
110.00014	3.5
111.00809	1.8
111.01938	2.1
113.02374	9.1
117.03388	3.7
117.05479	2.2
119.03440	4.3
121.02876	2.8
125.02373	24.5
129.01839	1.6
131.04950	1.9
133.02911	2.1
134.03603	2.0
135.04466	2.7
137.02367	2.7
141.87843	1.6
145.02858	2.2
149.02316	1.8
151.05420	2.0
153.05714	1.8
153.07051	2.5
155.10822	1.6
158.03632	7.4
159.04475	1.8
161.02379	4.3
161.04527	4.7
167.04984	3.2
171.04478	1.4
173.04436	8.2
175.03928	3.1
177.01932	2.4
177.07089	2.8
180.05775	2.0
181.06493	5.1
185.00887	23.0
185.02365	3.0
189.07005	3.8
191.05600	5.8
191.08611	2.3
193.06557	8.9
195.04491	5.7
195.08131	5.0
204.05707	3.2
205.06540	4.4
206.07318	7.8
207.08150	11.9
208.05254	2.9
209.06065	6.4
211.03914	7.5
217.06564	14.4
219.04578	1.8
221.06128	11.1
222.06805	5.6
223.04108	2.3
223.07625	13.9
223.13506	1.7
225.05585	2.5
232.05298	12.7
233.06062	22.5
234.06839	31.3
235.07646	85.4
236.04778	2.3
236.07877	7.8
237.05626	7.1
245.06114	12.0
246.06793	2.7
247.07619	2.0
249.05612	16.2
250.06361	21.5
251.07158	94.1
252.04607	1.8
252.07373	8.5
260.04831	7.0
261.05627	58.6
262.06100	7.1
263.07156	24.4
264.07425	3.3
265.05081	1.7
269.08282	2.7
276.04303	5.5
276.07867	1.7
277.04987	5.3
277.08496	1.5
278.05844	7.0
279.06671	100.0
280.07047	11.5
289.05103	23.2
290.05606	2.3
294.94379	1.6
295.06210	12.4
297.07663	2.4
304.03879	18.8
305.04617	52.3
305.07959	2.9
306.05188	7.5
307.06168	3.7
322.04895	4.4
323.05582	14.8
408.12186	2.0
441.11954	4.7
443.09888	4.3
453.11716	1.9
457.11496	1.9
467.10052	15.2
468.10269	2.2
469.11642	3.8
485.11224	10.3
546.63660	2.9
547.11377	3.4
547.23779	11.2
558.63806	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	545.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.6
57.03324	1.1
58.00504	0.4
59.01264	12.1
67.01782	0.6
69.03349	1.7
71.01270	8.0
71.06709	0.3
71.07053	0.6
72.99206	0.3
73.02836	1.5
78.81219	0.2
80.02589	0.4
81.03355	0.4
83.01291	0.8
83.04917	0.7
84.46333	0.2
85.02856	2.2
87.00786	1.3
89.02341	8.1
93.03349	1.4
93.06980	0.3
95.01305	0.6
95.04940	0.3
97.02869	4.2
97.06496	0.6
99.00799	0.4
101.02348	9.3
109.06499	0.5
111.08067	9.9
112.08456	0.4
113.02364	4.0
115.67721	0.3
119.03423	2.3
119.08578	0.5
121.10163	0.4
125.02384	0.4
125.09652	1.1
127.07590	0.5
131.03410	0.3
137.02400	0.3
137.09665	2.1
139.11395	0.3
141.09145	0.4
141.12741	0.3
143.03447	1.0
151.11259	0.5
153.09137	0.5
153.12820	1.0
161.04515	4.5
161.09740	0.3
163.11287	1.1
165.12837	2.7
167.10611	0.3
169.12311	3.6
171.10248	3.0
172.10432	0.4
173.04518	4.6
174.04926	0.4
177.12778	0.3
179.05569	1.7
179.10748	0.4
179.14394	0.3
181.12320	1.6
183.13914	1.4
185.11847	0.5
191.05534	0.5
193.12358	1.1
193.15987	0.4
193.95131	0.3
195.13922	0.5
197.11821	42.5
198.12172	2.8
199.13409	2.7
207.13860	0.5
209.11864	1.2
211.13405	6.8
211.15424	0.5
212.13803	0.7
223.13388	0.6
225.14958	3.8
226.15399	0.5
227.12939	2.2
235.08200	0.7
247.20677	1.8
249.14977	1.0
253.09329	43.6
254.09673	2.5
263.20206	2.1
265.18021	1.5
273.15872	0.3
273.18600	1.7
291.19730	33.9
291.44180	0.3
292.20047	3.7
306.12131	0.3
309.20779	100.0
310.21127	10.4
433.20596	0.3
485.24094	0.5
545.29907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02281	0.5
55.01768	3.5
57.03350	0.5
59.01265	6.4
61.98721	1.1
67.01775	1.6
69.03343	100.0
70.03682	2.6
71.01276	2.8
71.04932	0.4
71.57583	0.4
72.99197	2.4
73.02838	0.4
79.01751	1.8
83.01260	0.4
85.02849	2.2
87.00775	3.3
87.04437	0.3
89.02341	0.8
93.03363	5.1
95.01285	3.3
97.02853	20.0
97.06507	0.5
98.03211	0.6
99.00780	27.0
100.01130	0.5
101.02339	1.2
101.08051	0.3
101.49308	0.3
111.00800	0.5
111.04446	0.9
113.02366	1.2
119.04890	0.4
123.00793	1.0
125.02444	0.4
127.03961	0.5
132.02132	0.4
134.03694	0.6
137.02400	0.7
141.00809	0.4
141.01869	6.6
142.02238	0.4
155.03438	0.8
160.01633	1.1
160.90846	0.3
161.04466	0.4
166.13240	0.3
171.10283	0.4
172.05275	0.5
173.04520	14.6
174.04854	0.9
175.03983	1.1
185.00885	98.8
186.01216	4.1
186.06813	0.7
187.07518	0.6
191.05598	2.6
193.05025	0.7
197.11852	0.9
201.05533	0.3
201.09183	0.7
203.01799	0.3
211.13329	0.8
214.06364	1.5
215.07144	1.6
229.08647	1.5
236.28943	0.3
236.31410	0.3
253.09361	1.9
255.14017	0.4
274.08636	0.4
291.19589	1.5
309.20789	4.1
310.21124	0.6
313.23798	0.7
314.38257	0.3
353.14044	0.3
359.28094	7.5
360.28403	1.3
371.15097	1.6
485.31052	0.7
503.32364	0.8
532.27887	0.4
545.29742	27.6
546.21991	0.5
546.30035	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	545.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07471	0.3
55.01759	0.4
57.03321	1.0
59.01260	8.4
67.01765	0.5
68.99700	7.1
69.03339	1.8
70.64722	0.8
71.01269	7.4
71.08375	0.3
72.99188	0.9
73.02839	3.9
81.03347	0.7
83.01285	0.9
83.04933	0.6
84.01995	0.3
85.02839	3.4
87.00755	1.7
89.02336	5.3
93.03362	3.4
95.01280	0.8
95.04956	0.6
95.38995	0.3
97.02848	5.4
97.06487	1.2
99.00780	15.5
100.01129	0.3
101.02345	7.3
104.02623	0.4
105.03364	0.7
107.04944	0.4
109.06532	0.7
111.04436	0.6
111.08057	1.2
113.02356	3.6
113.09657	0.4
117.03352	1.5
119.03427	1.8
119.04929	0.3
121.10170	0.3
123.04433	1.0
123.08055	0.5
123.65601	0.3
125.09663	1.2
127.11222	0.3
132.02097	25.6
133.02948	1.9
134.03664	28.1
135.04005	1.3
136.01538	0.3
137.02385	1.0
137.09634	1.8
143.03438	0.6
149.06042	4.0
151.11182	0.4
160.01604	99.4
161.01927	5.2
161.04485	3.1
163.11212	1.1
165.09181	0.5
165.12796	4.4
167.14276	0.5
171.10207	4.5
173.04515	13.3
174.04817	0.3
175.03960	100.0
176.04295	5.4
177.01927	0.5
178.02692	0.8
179.05539	1.1
179.14438	0.5
181.12323	1.9
183.13837	1.2
186.06993	0.3
187.07568	0.6
191.05573	1.0
193.05031	41.5
193.12283	1.3
193.15955	0.4
194.05392	2.0
195.13943	0.6
197.11806	4.2
201.05501	0.4
201.09166	0.4
207.06668	0.4
209.11815	1.8
211.13361	2.8
213.14977	0.3
214.06293	0.6
215.07129	1.3
217.05139	0.3
221.15520	0.5
223.13385	0.6
225.14998	2.6
227.12837	2.6
229.08669	0.8
247.20721	3.2
253.09322	27.2
254.09735	0.8
261.07724	0.4
263.20197	0.5
273.18710	1.6
279.38239	0.3
281.21146	0.5
291.19724	36.8
292.20087	1.8
309.20770	87.6
310.21182	4.3
337.09262	0.8
427.14374	0.7
445.15118	42.9
446.15494	5.1
463.81781	0.4
513.14136	13.8
514.14508	1.5
545.16785	19.3
545.29285	5.0
546.16992	2.9
546.29877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1471
Annotation	Fisetinidol-(4alpha->8)-afzelechin
Peak:m/z	Relative Intensity
57.03341	6.0
59.00990	1.2
59.01266	14.7
59.86276	0.7
60.99190	13.8
61.98705	3.0
62.42251	0.7
62.66172	0.7
65.17780	0.8
67.01789	0.9
68.99682	0.9
69.03333	4.1
71.01285	6.1
71.56431	1.0
72.99223	1.2
73.02837	1.8
77.95333	0.7
78.95798	10.0
81.03339	2.1
83.01287	6.9
85.02846	3.6
87.00766	2.3
87.04389	0.7
88.98699	100.0
89.02332	2.0
93.03359	12.5
95.01270	1.8
95.04925	2.9
96.95943	3.8
96.96872	1.4
97.02849	13.9
99.00761	1.7
99.04419	2.7
101.02355	4.4
105.03368	0.9
107.04939	1.9
109.02889	6.1
111.00819	0.8
111.01928	7.6
111.04487	1.8
113.02348	2.0
116.16454	0.8
119.03405	0.9
119.04940	1.7
120.02129	1.3
121.02868	1.6
123.00764	0.9
123.04440	9.4
124.01565	2.1
125.02370	26.4
126.02664	0.9
133.02890	10.6
134.03639	2.2
135.04440	7.1
137.02377	41.5
138.02835	1.0
139.03923	2.6
146.03662	1.1
147.04350	1.2
149.02393	1.8
151.00270	1.2
151.03922	1.6
155.03470	1.1
157.06529	1.2
158.92479	2.4
159.04462	1.9
161.02278	1.1
161.04578	1.5
161.05969	1.6
163.00363	2.8
163.03989	1.4
164.01106	23.3
165.01886	8.1
171.04489	1.0
173.04526	12.9
175.03908	1.8
176.01157	1.3
177.01877	6.3
179.03448	3.4
183.04495	0.9
185.00945	2.4
185.06062	3.4
186.06715	1.3
187.03993	2.2
187.07576	5.1
189.05495	4.2
191.05553	6.5
193.05016	5.3
199.07564	1.0
201.05582	1.6
203.07158	4.9
205.01433	1.6
205.08661	4.4
211.07744	1.3
223.13499	1.4
227.07170	2.9
228.04384	3.7
229.05026	1.5
229.08687	4.4
231.06647	1.7
231.96770	1.1
239.07050	1.0
243.06705	2.1
253.05145	1.1
255.06761	2.8
271.06186	35.5
272.06512	3.1
273.07733	62.9
274.08026	5.3
283.13474	1.8
305.01828	1.0
312.06519	2.5
313.07227	1.5
323.02301	1.1
323.09268	1.6
327.16046	2.0
347.09134	0.9
353.09537	1.1
353.14014	0.9
365.10168	1.0
371.14975	5.0
391.08353	1.1
409.09286	6.0
410.09412	1.3
419.11566	4.9
464.70459	0.9
527.13464	3.4
544.63226	3.7
545.14227	8.8
545.22375	2.0
546.14856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1472
Annotation	Epiafzelechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
50.70317	0.9
55.01769	1.4
57.03333	10.6
57.61484	0.9
58.03676	0.8
59.01262	7.8
61.98698	2.1
63.75872	1.0
69.03341	34.1
69.75899	5.7
71.01259	5.2
73.02830	1.8
79.01766	1.0
81.03350	2.7
83.01276	5.9
85.02850	1.5
89.02339	1.3
93.03363	13.9
95.01303	2.8
95.04917	6.0
96.95934	1.5
97.02855	38.4
98.03170	0.9
99.00779	7.1
99.04383	1.1
100.42336	0.9
101.02361	2.5
104.66188	0.9
107.04931	4.2
109.02843	5.5
113.02384	1.5
115.03870	0.9
119.04933	3.4
120.02121	1.3
121.02836	2.1
122.03702	1.8
123.00827	1.6
123.04442	16.1
124.01585	2.0
125.02365	71.6
126.02692	2.4
131.04948	1.4
133.02875	11.2
134.03668	3.5
135.04448	8.4
137.02373	32.2
138.03120	2.8
139.03951	4.8
141.01889	1.6
145.06519	2.0
146.03635	1.3
147.04472	2.3
149.02353	4.6
151.03952	3.8
153.09157	1.6
157.06517	1.7
159.04480	2.4
161.02458	4.4
161.04494	1.6
161.06027	4.5
163.00316	17.3
163.03966	2.9
164.01102	47.6
165.01883	11.6
166.02635	3.8
169.06602	0.8
171.04462	2.2
173.04541	2.9
173.05965	1.1
175.03946	3.4
176.01088	2.6
177.01881	15.0
178.02585	3.3
179.03433	3.9
179.05602	0.9
185.00879	28.5
185.02498	1.9
185.06073	4.0
186.01303	1.0
186.06816	2.2
187.04005	2.5
187.07637	8.3
189.05542	14.5
191.05450	2.2
197.08163	3.1
199.07626	2.0
201.05513	1.1
203.07117	3.8
205.01408	7.2
205.08717	8.3
213.05516	1.9
214.06270	1.7
215.03571	2.0
221.11691	1.1
228.04274	3.0
229.05037	3.2
229.08687	8.4
230.09059	1.3
231.06703	4.2
243.06650	1.4
253.05176	2.3
255.06737	2.0
267.06650	1.3
269.08286	2.0
271.06195	36.1
272.06467	3.7
273.07736	100.0
274.08151	9.3
283.06235	1.3
285.07645	2.0
312.06390	18.4
313.07166	7.9
323.09378	3.4
343.10614	0.9
359.13315	1.6
365.10587	2.6
391.08154	2.0
409.09357	8.5
419.11475	28.4
420.11670	3.5
501.15561	1.1
527.13654	2.3
545.14703	14.0
545.21954	1.3
546.15302	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	543.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93169	0.7
53.42637	0.7
55.01763	1.0
56.97281	0.6
57.03339	3.8
59.01267	13.3
61.98709	5.8
65.29916	0.7
67.01771	1.3
68.08315	0.6
69.03345	45.7
70.03671	0.8
70.74220	2.1
71.01265	9.3
72.99207	1.1
73.02818	1.1
78.95805	0.9
79.01772	3.8
83.01285	1.2
83.04926	0.8
85.02840	2.2
87.00784	1.1
89.02329	2.0
93.03387	0.9
95.01270	7.3
97.02852	55.0
98.03183	1.2
99.00771	7.8
99.04441	3.9
101.02329	4.0
111.00841	1.0
113.02363	2.1
123.00775	3.3
125.02370	2.5
141.01868	59.5
141.12776	1.1
142.02199	2.2
143.03438	0.8
145.02773	0.7
159.03003	1.0
161.04558	1.0
173.04503	3.8
185.00888	45.3
185.11821	4.9
186.01233	2.3
191.05542	1.4
199.13454	2.4
203.01968	8.7
209.11922	0.9
211.13448	1.1
223.01288	0.7
227.07298	1.0
232.81352	0.7
249.14984	1.7
253.09332	2.3
289.05334	0.8
289.18195	2.3
297.24408	1.7
307.19269	4.6
309.24472	1.7
311.25974	1.0
323.33835	0.8
325.23911	1.6
327.25479	21.8
328.25830	2.7
339.25470	4.8
355.24838	1.5
357.26535	99.1
358.26889	13.1
404.20752	0.7
423.72137	0.7
440.41977	0.8
481.22919	1.5
489.38470	0.7
525.27356	1.0
543.28229	100.0
544.28601	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	543.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69403	0.1
55.01764	0.3
57.03338	2.1
58.00499	0.3
59.01265	7.9
59.38958	0.1
61.98719	0.7
68.99414	0.1
69.03340	1.8
69.44334	0.1
71.01270	5.0
71.04907	1.9
72.99198	0.3
73.02837	1.0
74.40479	0.1
78.95825	0.1
80.02560	0.5
81.03334	0.9
83.01286	0.8
83.04912	0.8
85.02843	1.3
86.73492	0.1
87.00764	0.7
89.02337	4.2
90.48642	0.1
91.03913	0.2
93.03350	0.7
95.01292	0.4
95.04916	1.2
97.02846	0.6
97.06499	0.4
98.03622	0.5
98.19831	0.3
99.00784	0.7
99.04430	1.6
100.10468	0.2
101.02342	5.2
106.04155	0.6
107.04924	0.3
109.02852	0.2
109.06499	7.7
110.06781	0.2
111.04432	2.9
111.08076	1.1
112.05232	0.2
113.02358	2.5
117.07005	0.2
119.03421	1.5
120.05712	0.3
121.06511	0.4
121.10182	0.2
123.00784	0.1
123.04439	0.2
123.08075	1.3
125.02370	0.6
125.09661	0.2
127.07548	1.4
128.07864	0.2
131.03397	0.3
135.04387	0.2
135.08072	0.6
137.06052	0.4
137.09634	0.7
141.01860	0.1
141.09097	0.2
143.03419	0.3
143.10698	0.9
145.06541	1.6
149.04526	0.2
149.06000	0.4
149.09628	1.0
151.11198	0.6
159.02966	0.2
159.08096	0.3
161.04514	1.8
163.11201	0.5
167.10724	2.0
173.04510	1.4
177.09209	0.2
177.12794	0.6
179.05525	0.7
179.10728	0.7
181.12300	0.4
185.00891	1.4
191.05626	0.3
191.14435	0.3
195.13875	3.0
196.14218	0.2
197.11752	0.2
207.17654	0.2
215.14410	0.4
217.16003	0.2
227.07056	0.2
235.08247	0.7
235.13412	0.8
243.17554	0.3
245.19145	4.7
246.19455	0.5
247.17032	0.3
249.15096	0.2
251.16550	0.6
253.09317	18.7
254.09732	1.1
260.42242	0.2
261.18631	0.3
263.20163	0.2
271.17123	1.2
273.15036	0.4
287.16647	1.3
288.16928	0.2
289.18149	100.0
290.18506	10.8
307.19217	6.1
308.19635	0.7
357.50101	0.2
483.29877	0.3
499.22446	0.2
513.35175	0.2
525.27148	0.8
543.27753	0.8
544.28174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.7
57.03333	1.3
59.01264	5.9
61.98714	0.9
65.41055	0.4
67.01785	0.7
68.15668	0.4
69.03342	100.0
70.03664	3.1
70.88641	1.2
71.01269	3.8
71.04907	1.2
72.99199	2.2
73.02837	0.5
79.01796	1.3
81.03335	0.7
83.04958	0.5
85.02353	0.4
85.02846	1.8
86.96674	0.4
87.00781	0.6
89.02328	2.3
91.97220	0.4
93.03333	0.9
95.01290	3.0
97.02853	19.3
98.03180	0.6
99.00781	27.1
99.04413	1.4
101.02351	3.8
109.06498	3.3
111.04434	1.1
111.08070	0.6
113.02356	1.4
119.03431	1.4
121.06537	0.5
123.00803	1.2
123.08084	0.9
125.02334	0.7
125.09705	0.5
137.09637	0.7
141.01875	8.3
147.98569	0.4
161.04520	0.9
163.11200	0.5
167.10652	0.9
173.04535	1.2
179.05627	0.6
185.00883	95.2
185.11906	0.7
186.01207	3.8
195.13898	1.5
197.11713	0.6
209.11938	0.7
229.39925	0.4
245.19186	2.5
246.19521	0.4
253.09352	8.1
254.09964	0.5
271.16974	0.7
273.15118	0.5
289.18155	46.3
290.18579	4.6
307.19247	3.9
327.25400	0.7
328.39905	0.4
345.93762	0.5
357.26569	7.5
358.26822	0.8
525.27264	1.1
543.28198	21.1
544.28516	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	541.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.5
60.00775	0.2
60.99192	12.7
61.98710	0.3
69.03338	0.5
69.44781	0.2
71.01266	0.5
72.99200	1.6
75.00752	0.6
78.95806	0.6
81.03350	0.5
83.04924	1.4
85.02835	0.3
87.00776	0.7
88.00299	3.8
88.98700	100.0
89.02336	6.7
89.99036	1.3
90.01860	1.1
93.03355	0.6
97.02875	0.3
98.02360	0.4
101.02342	0.5
109.02859	0.3
111.04399	0.2
113.02348	0.3
125.07116	0.2
135.04439	0.3
140.35419	0.2
149.26610	0.2
152.99544	0.4
168.08250	0.2
173.04543	1.1
185.00903	0.5
185.45796	0.2
191.05591	0.4
207.10272	0.4
224.17616	0.5
225.11356	0.8
225.16081	0.6
241.00995	0.3
333.23029	0.6
351.24130	0.4
365.25571	0.2
369.25116	0.2
447.29932	0.9
449.31396	3.4
451.33142	0.5
463.29382	0.3
465.30884	2.5
481.34552	1.5
482.33218	0.2
541.17090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2824
Annotation	Pharboside C
Peak:m/z	Relative Intensity
55.01746	0.8
57.03338	2.7
59.01260	14.2
61.98722	0.5
62.40786	0.4
63.03078	0.5
66.11838	0.4
69.03320	1.5
71.01274	11.3
71.56340	0.6
72.99161	0.8
73.02818	2.4
73.68807	0.4
76.88877	0.4
80.02562	0.8
81.03362	2.3
83.01280	3.5
83.04900	2.1
84.54729	0.4
85.02843	3.1
87.00762	2.1
89.01825	0.8
89.02330	9.6
95.01275	1.1
95.04913	1.5
97.02853	2.3
97.06500	5.3
99.00773	0.7
101.02341	11.9
106.04145	0.7
107.04909	0.5
109.06477	1.8
110.03619	0.7
111.04401	0.8
113.02358	5.7
113.05996	0.6
119.03411	3.1
119.08582	1.1
121.06498	1.3
123.04440	3.8
123.08058	1.7
125.02340	0.8
125.09653	6.5
135.08075	1.0
137.06039	0.7
137.09645	4.1
141.12767	1.4
142.02600	0.5
143.03427	0.7
149.06006	1.4
149.09593	0.7
150.10451	0.6
160.08925	0.7
161.04506	3.9
161.09572	0.8
162.10394	0.6
163.07674	0.9
163.11241	7.1
165.09128	0.6
165.12749	1.5
167.10754	0.5
171.10219	1.1
172.05312	0.5
172.40437	0.4
173.04474	1.3
175.11232	1.0
177.12796	1.0
179.05560	2.0
179.10715	1.0
181.12314	1.6
185.11784	7.4
186.12140	0.7
191.10811	1.1
191.14392	8.9
192.14682	0.9
193.12366	0.9
205.11967	0.5
207.10219	3.5
209.11819	19.9
210.12103	1.4
211.13385	2.1
217.16006	1.5
225.11324	2.9
227.18130	0.6
229.87807	0.4
235.08244	1.0
237.11327	10.0
238.11763	0.6
239.45187	0.5
245.19128	18.8
246.19475	2.0
247.17043	0.7
253.09320	43.0
254.09702	2.1
263.20212	9.3
264.20483	0.8
267.11710	0.4
271.17041	2.6
281.21295	1.0
289.18155	100.0
290.18484	11.9
305.42722	0.5
307.19214	97.4
308.19543	10.2
309.20917	0.6
325.20297	0.6
332.40347	0.5
362.37143	0.5
396.29514	0.5
445.21243	0.8
525.27374	0.9
543.28235	5.5
544.28510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	5.6
61.98721	1.0
69.03341	2.5
69.44161	3.7
71.01259	3.5
72.99205	0.8
73.02840	0.8
83.04893	0.5
85.02837	0.7
88.98713	1.3
89.02361	1.8
93.03374	1.4
97.02878	0.6
99.00780	1.1
99.04430	0.5
101.02354	1.9
113.02370	0.7
115.35093	0.5
119.03422	0.8
122.06050	0.6
134.73032	0.4
143.03316	0.4
144.36581	0.4
152.07126	1.1
160.01628	1.3
173.04501	1.6
175.03963	1.3
180.48116	0.5
185.00888	2.4
191.05547	0.5
193.05002	0.8
201.05664	0.6
211.13467	0.6
219.08156	58.2
220.08502	5.3
229.08720	1.8
230.09534	1.0
247.04997	0.9
247.07675	73.4
248.08040	7.8
263.07181	99.5
264.07498	10.3
291.06696	100.0
292.07031	10.4
354.95352	0.4
410.15506	0.9
457.24286	0.7
479.32333	1.5
539.22461	2.0
559.06689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29755	0.2
59.01262	22.3
70.63143	1.0
71.01260	0.4
74.93006	0.3
78.95791	16.1
80.96416	0.6
94.76004	0.3
96.96852	0.4
102.35284	0.3
122.98367	0.4
129.60518	0.3
152.98276	0.4
152.99467	2.6
153.00452	0.3
168.04224	2.9
182.93575	0.3
187.15114	0.3
224.06927	9.1
225.07230	0.4
236.87047	0.3
241.21736	100.0
242.07896	2.0
242.22084	8.2
253.53609	0.3
275.16925	0.3
319.04688	0.3
466.29459	66.4
467.29837	8.4
471.95969	0.3
541.26892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.4
61.98732	0.3
65.26447	0.1
66.17786	0.2
69.03341	0.2
70.72379	0.2
70.72729	0.6
71.01270	0.6
72.20238	0.2
73.02834	0.2
86.02365	1.9
88.98684	0.4
89.02350	0.3
97.91042	0.2
98.96027	0.2
99.71999	0.2
101.02345	0.5
102.05467	0.2
113.02361	0.2
119.13177	0.1
127.08729	0.2
128.03455	4.2
135.04324	0.2
171.07732	1.0
173.04538	0.2
215.06839	0.8
229.02617	0.3
230.07413	0.5
257.06140	0.4
258.06897	14.3
259.07574	3.3
260.08142	0.3
262.04565	0.8
263.05386	4.1
264.05655	0.3
285.05725	0.2
287.07306	0.3
290.04129	6.3
291.04916	43.6
292.05246	4.3
319.04395	100.0
320.04721	10.3
373.26038	0.7
439.99832	0.2
440.11407	0.2
475.29370	0.2
504.17688	0.3
521.40100	0.2
534.30652	0.2
535.31586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91735	0.1
53.54127	0.1
57.03342	0.2
59.01265	1.4
59.83158	0.1
61.98718	100.0
62.98433	0.2
67.77525	0.1
68.97811	0.1
69.03349	0.5
70.13764	0.6
71.01278	0.5
72.99196	0.1
78.95815	0.2
83.01294	0.2
85.02834	0.1
91.13731	0.1
93.03394	0.2
96.95925	0.2
99.00798	0.2
101.02361	0.3
113.02366	0.3
135.04486	0.1
173.04454	0.6
185.00926	0.4
191.05594	0.1
234.66159	0.2
237.15129	0.2
287.07321	0.6
291.04919	0.2
293.79764	0.1
309.20895	0.2
310.21194	0.2
311.21524	0.2
312.22183	0.2
319.04590	0.4
348.78064	0.1
373.26630	0.1
502.16385	0.2
535.23273	0.1
535.32037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	5.2
55.63640	0.6
57.03341	5.4
58.00471	1.7
59.01263	38.5
60.01600	0.9
61.98720	5.5
68.99688	0.6
69.03345	6.7
71.01270	62.9
72.99177	3.1
73.02834	22.1
75.00767	1.4
81.03306	0.9
83.01276	9.7
85.02842	28.0
87.00766	3.6
89.02335	15.8
89.02796	0.5
93.03353	1.0
95.01277	5.7
97.02842	4.6
98.19770	1.2
99.00774	10.6
99.04422	0.9
101.02342	47.2
102.02690	1.5
103.66805	0.7
113.02354	28.2
114.02686	0.9
119.03433	4.6
125.02364	4.4
129.01862	1.2
131.03427	1.5
135.04428	0.7
141.01869	3.3
143.03432	3.9
145.02786	0.6
149.04448	0.8
159.02936	5.8
160.03409	0.8
161.04507	30.3
162.04829	1.3
173.04491	2.6
179.05579	3.7
185.00839	6.4
185.11786	0.8
191.05615	1.7
205.03540	1.3
221.06607	1.7
245.06505	0.8
315.18198	15.5
316.18546	0.9
323.09991	0.9
337.86880	0.9
357.26517	1.8
375.27567	22.5
376.27881	2.7
389.29611	0.9
417.28467	1.6
461.19592	0.8
477.23508	100.0
478.23865	15.1
505.18307	1.2
537.23749	2.1
537.32800	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	534.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73227	0.1
57.03341	0.1
59.01265	1.1
61.98715	100.0
62.98405	0.2
69.03338	0.3
71.01279	0.3
71.59495	0.1
72.99191	0.1
73.02843	0.1
75.00780	0.1
85.02872	0.2
89.02333	0.1
93.03374	0.1
97.02871	0.1
99.00747	0.1
101.02339	0.1
110.42059	0.1
110.74641	0.1
110.81457	0.1
113.02361	0.1
126.70435	0.1
126.96123	0.1
145.02892	0.1
163.85101	0.1
170.04637	0.1
173.04596	0.3
185.00981	0.2
191.05577	0.1
198.45235	0.1
215.07166	0.1
218.58310	0.1
225.71004	0.1
262.88657	0.1
290.03967	0.1
309.21066	0.2
310.21301	0.3
311.21490	0.3
319.04599	0.4
357.21506	0.1
491.25055	0.1
505.36209	0.1
535.31506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16857	0.7
54.45210	0.8
55.01788	1.2
57.03337	2.0
58.00479	1.8
59.01264	100.0
60.01603	1.5
60.86615	0.6
61.98721	10.0
69.03341	1.4
69.42430	4.9
69.42857	2.0
71.01269	35.4
72.99211	3.4
73.02841	6.9
75.00769	1.0
78.95811	0.9
83.01262	3.6
85.02841	12.3
86.86830	0.7
87.00780	4.2
89.02336	33.3
91.17419	0.8
93.03362	3.6
95.01279	2.5
96.95921	2.7
97.02869	0.7
99.00809	3.3
101.02350	24.5
109.02895	2.9
111.00748	1.1
113.02355	16.9
113.03075	1.3
116.92692	0.7
117.84740	0.7
119.03431	13.7
119.04912	1.8
120.01161	1.3
121.02891	1.2
123.04442	1.3
125.02431	1.3
131.03479	1.4
135.04456	5.3
143.03493	4.5
145.06555	5.2
149.04541	1.3
153.09177	1.8
153.71054	0.8
156.05782	1.8
159.03023	1.8
161.04524	17.0
161.05835	1.0
169.06508	0.9
171.08101	15.2
171.10361	0.9
172.08514	1.5
173.04565	4.0
177.01866	1.1
179.03633	0.8
179.03979	1.1
179.05602	10.6
185.01045	0.9
191.05559	4.5
205.12410	2.0
223.13333	1.2
225.09140	1.1
232.22035	0.8
253.08849	0.8
283.10410	0.8
293.12003	3.5
306.07574	0.9
311.12955	60.7
312.13190	7.1
356.04636	0.8
358.03610	0.8
367.17752	3.1
427.19797	1.5
473.18237	15.8
474.18704	3.0
475.07831	0.9
529.41052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
56.24060	0.4
57.03336	5.6
59.01266	4.3
67.01783	1.0
68.26373	0.5
70.48953	1.3
71.01276	5.5
72.99193	0.8
73.02824	0.8
75.00775	0.6
78.95815	0.5
81.03358	0.5
83.01276	1.5
85.02844	12.2
87.00774	20.2
88.11563	0.5
89.02355	2.0
93.03367	3.0
99.00789	1.0
101.02341	4.1
109.02853	0.9
111.00768	2.1
111.04401	1.1
112.04741	0.5
113.02388	0.6
115.00275	0.4
116.61442	0.4
117.01865	1.5
119.03449	1.4
127.03938	2.2
129.01009	0.7
129.01866	10.0
130.02199	0.4
135.04449	0.7
147.02924	7.4
173.04501	2.5
191.01985	12.4
191.05582	100.0
192.05890	3.6
227.06274	0.5
255.60970	0.5
341.11111	1.0
533.13428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0951
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.35872	0.4
50.61564	0.4
57.03320	1.0
57.40525	0.4
59.01268	5.0
61.98715	2.4
63.02288	0.6
66.68240	0.5
69.03331	0.6
69.43738	1.7
69.44161	1.9
73.02826	0.7
83.01291	0.8
85.02831	0.7
87.00741	0.5
89.02337	1.2
93.03363	1.5
96.95879	1.2
99.04395	1.0
101.02346	1.2
107.01291	2.0
109.02882	0.8
113.02375	0.6
117.03411	0.6
119.64786	0.4
121.56159	0.4
125.02324	0.6
132.02054	1.2
135.00795	2.1
143.04977	0.7
151.00288	1.6
154.04158	0.5
159.04451	1.2
163.00319	2.3
164.01010	0.5
165.01941	0.4
167.05009	1.0
171.04506	0.6
173.02374	0.4
173.04553	0.7
183.04350	0.9
185.00928	0.6
185.05988	2.1
187.03941	2.6
189.05518	0.7
195.04404	1.1
197.05971	0.7
199.03935	1.2
211.03940	3.3
212.04604	0.5
213.05522	1.1
227.03508	30.1
228.03873	2.7
229.05093	10.2
230.05286	1.0
239.03487	1.8
240.04237	0.9
241.05078	1.3
255.03029	66.6
256.03531	7.8
257.04611	6.9
258.04987	0.7
267.03015	1.0
283.02423	0.5
284.03320	81.5
285.04083	100.0
286.04434	8.4
286.07410	0.6
331.17661	0.5
404.17786	0.4
445.11301	0.5
489.10495	57.7
490.10892	7.5
533.30682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.2
57.03333	0.8
58.00492	0.2
59.01261	6.2
61.98702	0.2
69.56902	0.2
71.01268	4.5
71.58029	0.2
72.99193	0.5
73.02837	0.6
73.30828	0.2
76.08114	0.2
83.01273	0.5
83.04913	0.3
85.02843	1.2
87.00778	0.6
89.02336	4.6
91.03883	0.3
95.01311	0.3
97.02818	0.3
97.06521	0.3
99.00800	0.2
99.08063	0.3
101.02341	4.7
101.03011	0.3
101.43041	0.1
113.02360	2.8
113.09633	1.7
119.03417	1.3
125.02406	0.3
125.09665	0.2
131.03400	0.2
133.91875	0.2
143.03427	0.5
161.04503	2.4
171.08757	0.3
171.10229	4.3
172.10567	0.3
173.04514	0.2
177.12888	0.3
179.05560	0.9
179.14389	0.6
181.12273	0.4
195.13882	11.6
195.31593	0.1
196.14259	0.8
233.22777	0.2
235.08249	0.3
245.56622	0.2
251.23706	0.2
253.09331	25.2
254.09702	1.6
255.09802	0.2
259.20837	0.2
277.21790	15.4
278.22021	1.5
292.39890	0.2
293.21240	1.3
294.21594	1.5
295.22836	100.0
296.23187	9.7
322.71606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03326	1.3
59.01264	43.6
61.98707	0.5
63.99937	0.3
69.03342	1.1
69.36283	2.7
69.36693	0.6
71.01269	3.5
71.04906	4.4
72.99168	0.5
73.02834	0.6
78.95782	0.6
81.03371	0.4
85.02841	2.2
89.02316	1.3
93.03345	0.4
95.01284	0.5
95.04910	0.4
96.95924	0.5
97.06471	1.5
98.20618	0.7
99.00790	0.5
101.02326	1.6
107.04922	0.9
107.52555	0.4
113.02363	3.8
113.05018	0.3
119.03426	1.1
121.06474	0.4
121.10159	3.0
123.08067	0.6
125.02338	0.6
125.09635	2.9
135.04460	0.5
137.09647	6.1
143.03334	0.5
161.04488	1.1
171.10226	12.2
173.04480	1.2
181.12306	0.5
185.00874	1.1
185.11790	4.3
197.11819	0.8
201.11345	0.4
207.13893	0.5
207.17554	0.5
209.11841	0.7
211.13441	0.7
219.13881	0.7
235.17076	0.6
237.14964	1.0
246.54845	0.4
247.20749	0.6
251.16570	12.9
252.16924	1.0
273.18661	0.7
291.19708	24.2
292.20053	2.1
305.21661	0.4
309.20767	100.0
310.21130	9.8
325.20309	1.1
333.20667	0.8
351.21851	0.5
411.19037	0.4
423.02249	0.4
502.80725	0.4
520.32666	0.5
531.19958	1.0
531.27484	0.4
531.70526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
57.03339	88.6
57.06760	0.7
58.03661	1.3
59.01265	72.3
59.14045	1.1
61.98714	1.8
69.03342	2.6
71.01270	28.8
71.05275	2.1
72.99197	1.3
73.02837	24.0
75.00749	1.6
78.34776	0.8
78.91782	6.1
79.05404	1.5
81.03338	3.6
83.01277	10.3
85.02866	5.9
87.00803	1.1
89.02341	14.6
90.67355	0.8
95.01271	2.2
96.95879	1.6
97.02878	1.4
97.06470	1.6
99.00790	0.9
99.04419	100.0
100.04748	2.9
101.02348	53.4
102.02670	1.2
109.06490	1.7
113.02364	20.8
113.05978	3.0
119.03416	8.4
123.04443	18.5
125.02371	36.5
126.02708	1.1
131.03429	3.3
135.80295	0.9
141.05490	3.4
143.03448	10.3
145.02847	1.2
149.04474	7.8
153.05511	4.2
153.57144	0.7
161.03215	1.4
161.04503	23.1
173.04512	2.2
179.05562	8.3
185.00882	2.1
189.07703	0.8
189.39749	0.7
191.05605	2.4
191.07973	0.8
201.07603	1.8
203.05576	1.7
205.12161	0.8
209.60765	0.8
221.06644	9.3
223.13342	1.8
261.09778	2.0
369.19012	0.9
429.21323	1.1
487.25629	2.8
488.24597	0.9
531.24567	29.1
532.11383	0.8
532.24811	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.6
59.01264	43.8
61.98729	1.4
69.03357	2.6
70.53667	2.7
70.54065	3.6
70.72980	1.3
71.01270	6.6
71.30252	1.1
78.95796	5.2
85.02850	3.0
85.81259	1.2
89.02333	1.6
95.01361	1.5
96.95943	2.0
97.02857	4.8
97.06483	2.4
99.00771	1.6
101.02353	3.6
109.69994	1.4
113.02337	3.7
115.04153	1.4
119.03444	1.6
119.08582	2.9
137.09642	8.7
146.16304	1.3
146.55922	1.2
152.99501	3.6
153.12888	1.4
160.01550	3.2
163.11279	1.7
165.12773	3.4
166.43352	1.3
171.10237	15.0
173.04475	3.0
175.03966	4.1
191.05693	1.2
193.05124	1.4
209.11758	1.5
213.15862	1.5
227.12842	1.9
247.20781	2.9
291.19736	19.7
292.20053	2.6
304.36823	1.3
307.18927	1.9
309.20767	100.0
310.21158	9.6
445.20270	1.9
449.20334	2.9
504.93085	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.9
59.01265	38.8
61.98729	1.1
66.46558	0.5
69.03366	0.9
70.46231	0.9
71.01268	3.4
71.04912	4.7
73.02846	1.0
85.02846	1.7
89.02337	1.5
94.17972	0.4
95.01293	0.5
97.06487	1.3
101.02345	1.8
106.30741	0.4
107.04917	0.8
109.12160	0.4
113.02377	3.8
114.56515	0.4
119.03454	0.6
121.10151	3.4
123.08089	0.5
125.09660	2.8
137.09650	5.7
141.12762	0.5
143.03438	0.5
147.77217	0.4
151.00269	0.5
160.01524	0.7
161.04543	1.2
171.10216	11.8
172.10477	0.7
173.04524	0.9
185.00839	0.6
185.11792	4.6
193.05063	0.4
195.76294	0.4
197.11935	0.5
207.13867	0.5
209.11896	0.8
211.13408	0.6
219.13940	1.3
228.70341	0.4
235.16896	0.6
237.15045	0.9
247.20695	0.9
251.16554	11.7
252.16873	1.1
289.18448	0.4
291.19730	23.4
292.19958	2.5
309.20776	100.0
310.21112	10.0
333.20792	1.3
351.21750	0.7
531.19165	2.0
531.70343	0.8
532.20483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.1
57.03338	93.5
58.00477	0.8
58.03672	0.8
59.01265	100.0
61.98724	2.2
69.03350	11.0
71.01270	21.1
72.99190	2.1
73.02836	6.3
75.00776	1.8
78.95800	1.3
81.03362	2.1
83.01266	3.8
85.02843	8.2
87.00765	1.8
87.04446	0.7
89.02328	9.3
93.03362	1.8
95.01295	1.6
96.95917	7.4
96.96876	1.1
97.02852	3.9
98.19827	1.5
99.00786	4.9
99.04419	95.1
100.04751	2.6
101.02345	32.7
108.65986	0.7
109.02855	0.9
113.02357	7.8
115.00320	1.0
119.03416	4.3
123.04413	1.0
123.08066	6.2
125.02367	36.7
126.02710	1.1
132.36896	0.7
134.03618	0.9
135.04482	1.7
136.48129	0.7
137.02383	1.1
137.09639	2.6
141.01891	1.3
143.03455	5.5
149.04468	1.0
155.03461	1.1
159.02989	0.9
161.04510	9.3
163.11223	6.6
173.04501	4.5
177.01866	1.8
179.05576	3.7
179.06976	0.9
185.00887	9.2
187.05632	0.7
189.12837	9.7
190.13164	1.0
191.05612	2.8
203.05566	1.5
207.13914	14.4
208.14218	1.2
209.11772	2.7
221.06650	1.0
223.13373	1.0
225.14984	3.1
235.07611	2.1
245.06201	1.2
255.03174	1.0
263.07104	1.2
267.12299	0.9
281.08142	1.4
289.05060	1.9
300.02386	0.7
307.06149	2.0
334.96829	0.8
345.22906	1.9
369.22821	1.5
387.20291	9.0
388.20441	0.9
416.94824	0.7
429.21423	7.5
430.21600	1.3
431.19241	2.0
463.08902	0.9
469.24478	2.1
472.22708	0.9
487.25839	0.8
531.24347	29.9
532.24792	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	531.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.3
57.03338	89.1
58.03671	1.9
59.01266	98.2
60.01588	0.8
61.98720	0.9
67.64355	0.7
69.03339	10.8
71.01274	16.3
71.56163	1.1
72.99194	1.3
73.02838	6.9
74.02381	0.7
81.03349	2.2
83.01282	3.8
83.04950	0.8
85.02844	9.7
87.00777	1.1
89.02328	7.6
90.88003	0.8
93.03342	1.9
95.01285	1.4
95.24458	0.6
96.95929	1.5
97.02853	2.2
99.00794	4.4
99.04420	100.0
100.04739	3.1
101.02344	29.3
102.02695	1.0
111.00776	1.3
113.02362	7.1
117.03403	1.1
119.03412	2.3
119.04927	2.2
123.04391	0.9
123.08077	6.3
125.02367	36.7
126.02711	1.4
129.01848	1.0
135.04410	0.8
137.02350	1.0
137.09615	2.6
139.52243	0.7
141.01903	0.9
143.03488	3.4
145.02892	3.3
146.03270	1.8
147.03317	1.0
149.04448	0.9
159.03011	0.8
161.04514	7.5
163.03905	1.6
163.11235	6.5
164.04340	1.0
173.04492	5.1
179.05521	2.1
185.00876	11.5
189.12830	12.5
190.13016	0.8
191.05600	3.3
205.03458	1.8
207.13885	14.3
208.14087	0.8
223.04562	0.9
223.13315	1.4
224.90338	0.7
225.15016	3.5
273.63153	0.8
339.04962	1.1
367.02106	0.7
387.20367	8.1
388.20517	1.3
429.21609	6.7
431.19315	1.6
440.81790	0.8
469.24158	1.4
521.18561	0.8
531.15863	3.4
531.24207	14.8
532.24542	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	530.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23640	0.2
55.53851	0.2
59.01264	0.6
70.73807	0.3
71.01270	0.4
78.95793	18.8
85.02848	0.3
93.03350	0.3
94.29531	0.3
96.96851	0.3
101.84995	0.2
114.59229	0.2
132.67542	0.2
151.43404	0.2
152.99527	4.5
168.04234	3.4
173.04556	1.2
173.05827	0.3
200.05055	0.3
211.13287	0.4
224.06934	8.2
225.07246	0.5
242.08057	2.0
250.04764	0.3
255.23320	100.0
256.23660	9.7
256.26404	0.4
279.23282	1.1
400.25076	0.3
480.31042	69.5
481.31433	10.8
529.76300	0.3
530.30597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97873	0.1
55.01767	0.4
57.03337	0.4
58.00482	0.3
59.01263	7.5
62.15055	0.1
63.16655	0.1
69.03347	0.4
71.01267	6.0
71.04905	0.1
72.99210	0.3
73.02833	1.0
73.63703	0.1
83.01273	0.5
83.04902	0.1
84.79504	0.1
85.02840	1.3
87.00770	0.9
89.02335	5.6
90.02665	0.1
91.03925	0.2
95.01289	0.4
95.04934	0.2
97.02851	0.2
97.06446	0.1
99.00774	0.3
99.04425	0.1
101.02345	6.0
111.08073	0.4
113.02356	2.8
113.09621	0.4
119.03419	1.5
127.07517	0.1
131.03413	0.3
133.05006	0.1
139.11177	0.1
141.09186	0.1
143.03423	0.6
145.05042	0.1
149.04561	0.1
161.04498	3.2
167.10724	0.4
169.12259	0.1
177.12834	0.3
179.05563	1.3
179.10730	0.1
179.14374	0.9
181.12314	0.2
195.13879	8.4
196.14429	1.2
197.15373	0.1
205.12337	0.8
205.15997	0.5
207.95255	0.1
211.13383	0.4
223.13400	5.8
224.13805	0.6
225.14922	0.1
228.13690	0.6
231.21233	0.5
235.08253	0.2
239.13013	0.2
249.22211	0.2
253.09322	33.2
254.09671	1.9
256.13174	1.3
265.21887	0.5
275.20215	5.8
276.20587	0.6
291.19522	0.1
293.21286	100.0
294.21616	12.1
294.25119	0.2
388.68021	0.1
447.13367	0.2
460.23160	0.1
492.21960	0.6
515.79456	0.1
523.35248	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	529.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
57.03334	0.4
58.00484	0.3
59.01261	7.9
65.03969	0.1
69.03343	0.3
69.32778	1.5
69.33118	0.3
71.01265	6.1
72.99183	0.2
73.02838	0.9
83.01283	0.6
83.04887	0.1
85.02845	1.3
87.00768	0.6
89.02335	5.7
91.03883	0.2
95.01282	0.5
97.06519	0.2
99.00769	0.3
101.02346	6.0
102.02659	0.2
102.06781	0.1
111.08084	0.4
112.50010	0.2
113.02357	3.2
113.09618	0.4
119.03393	1.4
125.02361	0.3
129.01868	0.1
131.03404	0.5
135.69843	0.1
141.09148	0.2
143.03436	0.6
144.96548	0.1
147.97430	0.1
149.04520	0.2
161.04507	2.9
167.10722	0.3
177.12820	0.3
179.05603	1.1
179.14340	0.9
181.12325	0.2
195.13881	9.3
196.14394	1.2
205.12251	0.7
205.15952	0.4
211.13411	0.4
214.61002	0.1
223.13393	5.6
224.13847	0.5
228.13629	0.7
231.21178	0.5
233.54573	0.2
235.08328	0.3
253.09317	32.8
254.09666	1.9
256.13181	1.2
265.21820	0.4
275.20218	5.4
276.20554	0.4
293.21283	100.0
294.21606	12.6
317.98120	0.1
384.48499	0.1
463.09491	0.2
492.22086	0.8
493.22864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
57.03336	0.4
58.00482	0.4
59.01263	14.3
69.03349	0.4
69.32570	1.7
69.32987	0.6
71.01270	8.8
71.04909	2.4
72.99198	0.5
73.02829	1.8
81.44452	0.2
83.01275	1.0
83.04923	0.7
85.02845	2.2
87.00751	1.0
89.02336	8.0
90.02645	0.3
90.05312	0.2
95.01299	0.4
97.02843	0.2
99.00786	0.5
101.02347	8.9
102.02728	0.3
104.37804	0.3
111.04562	0.3
113.02361	4.6
114.02691	0.3
119.03414	2.3
131.03418	0.3
133.05035	0.3
135.11711	0.2
143.03430	0.8
145.02444	0.2
149.04523	0.3
157.04964	0.3
157.08636	0.7
161.04492	4.0
163.14830	0.3
169.12363	0.2
173.04518	0.2
177.16440	0.6
179.05597	1.3
191.10747	0.3
191.17995	1.0
209.15439	1.1
217.15921	0.5
219.17586	0.2
221.15459	0.9
231.21190	2.5
232.21541	0.4
233.15576	0.5
235.08272	2.0
235.17052	51.6
236.17406	3.9
237.18617	0.3
253.09322	42.7
254.09705	2.2
257.18936	0.4
275.20212	70.3
276.20551	7.5
292.05511	0.3
293.21286	100.0
294.21622	11.3
305.21472	0.2
355.15506	0.3
375.86169	0.3
406.60217	0.3
483.33463	0.2
546.45215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.8
57.03338	84.5
59.01265	100.0
61.98719	3.5
65.00227	1.1
69.03340	34.8
71.01271	49.4
71.58775	2.0
72.99192	4.9
73.02840	28.2
75.00765	1.9
81.03339	3.0
83.01261	10.7
83.04910	1.8
85.02843	14.0
87.00761	4.1
89.02339	31.5
93.03362	5.5
95.01281	3.3
96.95914	2.3
97.02873	9.4
97.06492	1.7
99.00783	9.4
99.04418	80.8
100.04739	1.2
101.02350	58.6
107.04943	1.9
108.02117	1.6
109.02858	3.6
111.00839	1.5
111.04427	1.4
113.02371	23.1
113.06002	2.3
115.03967	1.4
119.03410	13.8
123.00801	2.7
123.04432	11.6
123.08111	2.0
125.02369	38.8
126.02737	1.2
131.03465	3.6
135.04456	35.9
136.04781	2.6
137.02341	1.7
141.01852	3.5
141.02950	1.2
141.05486	1.7
143.03432	8.2
145.02908	2.6
147.04478	1.2
147.08073	1.8
149.04520	5.4
149.06186	1.2
151.00284	2.4
151.03967	1.9
153.01880	4.5
153.05507	1.8
153.09111	6.7
155.03398	1.9
161.04512	26.8
167.03494	4.2
168.58470	1.4
171.10220	1.2
173.04501	13.1
173.51558	1.4
174.04874	1.8
178.05061	3.2
179.03485	15.9
179.05588	16.2
180.03908	1.5
185.00891	33.1
187.11182	2.6
189.09198	1.4
191.05591	11.2
193.04779	1.3
205.12328	13.3
221.06673	3.8
223.13429	2.5
230.17807	1.3
233.06682	2.5
258.01334	1.1
263.07687	7.5
264.07928	1.3
301.03284	1.4
311.07892	5.2
319.77960	1.3
323.09875	23.3
343.21271	1.7
367.17776	10.6
368.17847	1.7
385.18765	30.9
385.23523	2.3
386.19183	3.5
427.19800	9.6
428.19983	2.1
433.03625	1.4
467.23010	3.9
485.24011	2.9
491.12286	3.9
529.23145	41.7
530.23877	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	529.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00784	0.8
57.03340	67.2
58.00470	1.2
58.03677	1.1
59.01265	68.4
61.98719	5.7
69.03333	4.0
71.01271	34.2
71.57644	0.9
71.58149	1.3
72.99223	1.8
73.02841	12.7
78.95802	1.4
80.96362	0.8
81.03344	1.5
83.01266	7.0
83.04861	1.0
85.02853	10.7
85.56958	1.1
87.00766	4.6
89.02335	12.1
91.17019	0.8
93.03380	4.6
95.01273	2.6
95.04944	1.0
96.95901	2.5
97.02861	6.0
99.00769	3.7
99.04420	81.6
100.04781	1.0
101.02350	37.0
107.01227	0.9
108.05724	0.9
109.02910	1.3
109.06508	1.3
111.00802	1.5
111.04350	1.2
113.02361	15.2
113.05998	1.7
117.03378	20.7
118.03741	0.9
119.03426	3.2
119.04946	37.4
120.05257	2.1
121.02924	1.2
122.20238	0.9
123.04459	2.3
123.08067	1.6
125.02369	39.3
125.05984	1.5
126.02672	1.4
129.01796	0.9
135.04462	1.4
136.05159	1.4
138.06778	10.3
139.00340	1.1
139.07607	4.4
141.01843	1.6
143.03444	3.8
145.02893	100.0
146.03236	5.0
151.07576	10.8
152.04715	1.3
152.08389	12.2
153.09158	50.8
154.09489	3.4
159.02957	1.0
161.04504	8.9
161.09554	0.9
163.03963	36.7
163.11243	1.6
164.04376	2.4
165.09129	1.9
167.07074	1.6
173.04552	8.0
177.01984	0.8
179.05568	2.0
185.00957	1.3
187.11267	1.1
189.09196	1.4
190.09938	1.1
191.05580	9.4
192.05812	1.2
205.12325	24.4
206.12675	1.5
223.13385	17.1
224.13750	1.3
235.06154	2.4
289.07330	1.2
307.08301	10.3
324.95926	1.0
343.21274	1.7
367.17734	16.0
368.17999	2.0
385.18784	22.9
386.19125	2.9
427.19812	11.3
428.20233	1.3
467.22897	2.8
469.13455	3.4
485.23853	3.3
487.14627	2.2
529.15625	41.1
529.23102	27.0
530.16016	7.0
530.23553	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	527.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.9
59.01269	4.3
61.98714	1.2
69.03336	0.7
69.27856	2.0
69.60899	0.2
71.01271	3.6
72.23070	0.2
72.99199	0.3
73.02821	0.3
81.45049	0.2
83.01276	0.5
83.04901	0.3
83.99996	0.2
84.42281	0.2
85.02851	0.7
87.00769	0.6
87.27284	0.2
89.02338	2.8
89.94437	0.2
93.03358	0.3
93.07021	0.3
95.01286	0.3
95.04929	0.2
96.95872	0.2
97.06477	0.9
99.00753	0.3
101.02346	3.7
109.06511	0.3
111.08065	2.7
113.02367	1.4
119.03408	0.7
121.10149	4.9
122.10510	0.3
123.08083	0.7
125.09652	3.4
127.11185	0.2
131.03397	0.3
134.57387	0.2
135.11699	0.2
137.09615	0.3
139.11267	0.2
141.12784	0.4
143.03448	0.5
147.08099	0.4
151.11192	0.2
161.04538	1.5
163.73592	0.2
167.10710	0.7
171.10193	0.3
173.04523	0.8
177.12804	0.8
179.05556	0.3
179.10742	0.5
185.00920	0.3
185.11797	6.4
186.12141	0.6
193.15996	0.2
195.13884	1.8
197.11795	1.3
209.11781	0.8
211.13367	0.6
213.14882	0.2
223.13341	0.6
235.08206	0.6
247.13472	0.3
247.20686	1.6
253.09332	16.6
254.09630	0.7
263.20151	0.5
273.18765	1.4
291.19720	100.0
292.20074	11.9
527.28729	4.7
528.29181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01266	8.6
60.59169	0.2
61.98717	0.3
67.17088	0.2
69.03343	0.7
69.68860	1.2
71.01265	4.2
72.99189	0.4
73.02827	1.1
75.00764	0.4
75.61469	0.2
83.01257	0.7
85.02852	2.6
87.00767	1.4
89.02336	1.8
93.03358	0.7
94.83263	0.2
95.01286	0.7
96.95942	0.5
97.02845	0.7
98.20477	0.3
99.00787	1.0
99.04416	0.5
101.02342	3.1
109.02873	0.3
111.00800	1.1
113.02347	3.8
116.92719	0.3
117.03379	22.2
118.03706	1.3
119.03399	0.4
119.04957	1.4
123.04408	0.3
125.02341	0.6
129.01917	0.3
131.03465	0.3
135.00665	0.3
135.04478	0.4
139.00226	0.4
140.62575	0.2
141.01814	0.4
143.03421	0.3
145.02892	100.0
146.03224	4.7
161.04510	1.0
163.03970	3.1
173.04506	1.5
173.05812	0.3
179.05589	0.7
191.05620	0.9
201.22484	0.2
203.05444	0.2
221.06573	0.4
251.72050	0.3
283.09946	0.3
289.07355	0.5
323.09903	3.2
324.10315	0.3
349.09302	0.8
355.08264	0.5
367.57361	0.3
383.12073	0.9
469.13669	4.7
470.14047	0.4
487.15244	0.3
528.17902	0.3
529.15686	6.8
529.22766	0.6
530.16162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59827	0.6
57.03335	0.7
58.00486	0.7
59.01265	100.0
60.01611	0.6
69.03352	1.2
69.28774	7.0
71.01266	10.1
72.99213	0.9
73.02831	6.8
81.03366	0.6
83.01288	4.3
85.02860	2.7
87.00771	7.2
88.15006	0.6
89.02341	6.9
93.03397	1.2
95.01308	1.3
95.74876	0.9
96.95938	0.8
98.19769	1.1
99.00777	1.3
101.02357	8.7
102.37051	0.6
111.00821	0.6
113.02358	10.4
119.03458	2.8
125.02398	3.1
125.03427	0.5
131.03462	1.5
141.01831	0.8
143.03490	2.9
149.04517	1.2
161.04492	3.9
165.70633	0.6
173.04544	4.5
179.05644	2.8
191.05655	1.6
221.06586	1.1
271.92596	0.6
305.08905	1.2
323.09918	3.1
341.10947	11.8
341.14771	0.6
353.06372	1.2
365.10959	7.4
383.12021	53.8
384.12329	4.1
407.11926	0.8
425.13086	25.8
426.13657	1.7
467.14200	0.8
552.05957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	9.8
59.01263	16.3
61.25758	0.3
61.98711	1.4
69.03343	1.5
71.01273	8.4
71.22633	0.4
71.58488	0.5
72.99189	0.5
73.02833	4.7
75.00760	0.6
83.01286	2.3
85.02840	3.3
87.00769	2.3
89.02341	2.8
93.03362	2.2
95.01281	0.8
95.37386	0.5
96.95906	0.5
97.02864	1.6
99.00770	1.3
99.04417	9.9
101.02344	9.8
109.02888	0.4
112.31836	0.4
113.02373	4.5
113.05991	0.4
114.02724	0.6
117.03374	20.4
118.03733	1.0
119.03480	1.3
119.04940	43.2
120.05288	1.3
121.02885	0.8
125.02367	5.7
131.03333	0.5
132.32570	0.4
134.23582	0.5
135.04442	0.6
136.65297	0.4
143.03432	1.1
145.02887	100.0
146.03238	4.9
151.00311	0.6
151.07608	0.5
152.00958	0.4
153.09148	2.4
155.03429	0.6
161.04500	1.7
161.05838	0.5
163.03960	40.7
163.11183	0.4
164.04288	2.1
165.09117	0.7
173.04568	2.6
173.05885	0.5
177.01857	1.2
179.05756	0.6
185.00821	0.6
191.05612	5.2
192.05870	0.8
205.12375	1.1
217.05145	1.2
223.13438	4.0
235.06036	3.4
277.07196	0.5
287.55234	0.5
289.07257	1.7
307.08282	11.0
308.08777	1.0
339.58530	0.4
341.03207	0.5
341.11029	0.7
367.17511	0.9
383.11771	0.5
385.18680	0.9
427.19534	0.6
469.13708	2.8
469.23126	0.9
487.14673	2.6
529.15729	44.2
529.22729	2.6
530.16113	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42941	0.5
57.03325	1.1
59.01265	13.5
60.66304	0.6
61.98716	4.1
67.01768	0.8
68.99670	0.6
69.03332	1.1
69.35043	0.5
69.60467	0.5
71.01269	11.2
71.59528	0.9
72.99198	0.6
73.02829	2.4
83.01277	4.5
83.87915	0.5
84.71796	0.5
85.02837	3.4
87.00738	1.5
88.98689	0.8
89.02344	3.2
93.03364	2.3
95.01274	1.9
96.95911	6.1
96.96863	1.0
97.02852	0.8
99.00739	1.0
99.04454	0.8
101.02332	5.2
108.02076	37.4
109.02386	0.8
111.00826	1.4
113.02374	5.2
116.97192	0.7
119.03447	1.5
122.03634	0.8
123.00838	0.7
123.04437	13.8
124.01580	0.8
125.02364	1.0
135.04465	9.8
137.02390	0.6
139.00346	1.1
145.02951	0.7
145.48433	0.5
150.03160	0.6
151.00267	0.7
152.01079	0.7
155.03506	0.6
160.27730	0.6
161.02382	0.9
161.04430	1.0
165.05481	1.5
169.02902	0.9
173.04521	5.5
175.04076	0.6
179.03479	4.0
185.00928	0.8
187.03957	2.5
191.05591	3.4
197.02441	0.7
198.03198	1.8
213.01974	0.9
215.03496	27.8
216.03766	2.0
217.06525	1.3
233.06055	2.5
234.06871	4.4
241.01407	0.8
245.06035	3.1
246.06625	0.7
251.07001	0.8
259.07596	1.0
260.04907	1.2
261.05646	10.6
262.06348	8.6
263.03552	0.8
263.06842	0.6
276.04355	2.4
277.05493	2.7
277.08688	3.2
278.05869	1.7
288.04156	1.0
289.05115	6.2
290.05615	0.8
291.06705	1.0
293.08194	1.8
301.04172	0.6
303.06714	1.5
304.03857	10.9
305.04602	16.8
305.08142	1.4
306.05344	8.3
307.05780	1.1
311.07697	1.9
319.06177	20.9
320.06818	10.3
321.07742	17.9
322.08139	2.8
345.07971	0.8
348.06400	5.1
363.08737	5.0
364.09299	0.7
409.13199	0.9
410.14008	0.7
467.09799	1.0
479.19327	2.2
483.13062	100.0
484.13382	16.3
491.12015	1.2
527.17847	1.6
527.25128	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	526.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.7
55.66221	0.6
56.61849	0.5
57.03340	0.9
59.01268	17.4
60.46640	0.6
61.98719	3.6
67.01768	1.0
68.99715	1.1
69.03344	100.0
70.03690	1.9
71.01272	6.6
71.04902	0.9
71.53395	1.0
71.53735	0.8
72.99184	2.6
73.02820	1.0
78.95791	0.8
79.01784	2.2
80.64478	0.6
81.03352	5.8
83.01273	0.9
83.04914	23.5
85.02845	2.6
86.02392	1.7
87.00789	0.9
89.02342	1.2
93.03349	0.9
95.01289	6.5
96.95921	1.1
97.02850	38.1
97.06507	1.0
98.03158	0.9
99.00780	25.4
101.02350	1.8
101.05998	2.7
111.00736	0.7
113.02361	2.0
115.00359	1.1
115.07575	2.0
123.00791	2.7
127.11196	2.6
132.02087	1.7
134.03651	2.6
139.07610	1.5
141.01865	31.9
142.08675	2.1
144.10286	0.6
145.04982	8.7
156.10223	0.9
157.08661	2.6
158.11841	0.7
159.02934	1.3
160.01593	7.5
169.12282	2.5
173.04546	2.1
175.03960	9.9
182.15492	1.1
184.49142	0.6
185.00883	92.5
186.01253	2.5
188.09268	7.8
191.05530	0.7
193.05019	3.8
199.09740	1.1
202.28258	0.7
203.01965	15.1
207.07773	0.6
211.05078	0.6
211.13428	1.1
221.06065	2.4
222.06389	2.6
224.12955	0.8
242.14035	1.7
250.09575	0.8
277.08755	6.1
278.09073	10.7
279.09354	0.9
292.19165	0.8
315.98282	0.7
322.20297	2.2
329.23578	1.0
340.21350	10.9
427.16074	3.6
495.15262	1.7
526.23090	23.5
527.17651	2.1
527.24561	3.1
527.36469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10294	0.6
56.10095	0.8
57.03341	1.0
59.01267	9.3
61.98722	10.0
62.92535	0.6
67.01768	1.1
69.03348	1.3
71.01270	7.9
71.56117	1.3
72.99185	0.7
73.02830	0.8
78.95788	1.1
83.01286	3.0
85.02851	2.9
87.00771	0.7
87.12012	0.6
88.58705	0.7
89.02352	2.4
91.01836	0.7
93.03376	2.8
95.01270	1.0
96.95923	4.2
99.00819	0.9
99.04441	1.2
101.02352	4.8
107.01301	0.8
107.04958	1.9
108.02087	13.1
109.02901	1.3
111.00788	1.4
113.02354	3.5
122.03674	0.8
123.00769	1.4
123.04452	12.2
125.02365	1.4
133.02905	1.1
134.03653	3.8
135.04449	100.0
136.04768	5.0
137.02403	0.8
151.00340	2.3
151.03929	4.5
152.01080	2.9
153.01843	3.4
161.02423	1.1
161.04576	0.8
166.02673	0.7
167.03452	12.7
168.03749	0.8
173.04527	6.0
179.03467	54.9
180.03827	2.6
181.05084	0.9
181.92627	0.7
185.00885	1.2
188.79404	0.7
191.05614	3.4
193.05060	2.0
209.04538	1.2
215.03500	8.8
221.04636	1.4
233.06059	1.1
234.06836	1.0
245.06183	1.6
252.56331	0.7
258.87250	0.6
261.05612	3.5
262.06384	3.0
277.05243	1.4
277.08667	0.9
289.05273	1.7
291.07077	0.8
293.08273	1.6
296.05301	1.2
297.06250	2.6
304.03760	4.1
305.04639	5.2
305.07944	1.3
306.05243	2.8
308.48248	0.7
311.07794	19.6
312.08331	0.9
319.06262	7.3
320.06876	3.5
321.07742	6.7
330.81195	0.9
348.06396	1.8
353.06638	1.0
363.08829	1.7
447.13080	6.8
463.12289	1.9
483.13074	42.3
484.13470	7.4
491.12036	20.5
492.12381	3.4
527.09637	2.3
527.16699	0.9
527.24774	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	525.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33296	0.6
55.01761	0.8
57.03329	1.3
58.00475	2.1
59.01265	68.5
61.98711	1.7
69.03336	1.8
70.35583	1.0
70.35974	1.3
71.01269	52.8
72.01604	1.4
72.70398	0.6
72.99212	3.1
73.02838	13.1
78.95784	1.7
81.03352	1.1
83.01275	1.6
83.04934	3.0
85.02835	7.3
86.16221	0.6
87.00793	0.9
89.02338	100.0
90.02660	1.2
93.03355	1.7
96.95901	1.1
97.02850	1.9
99.00781	29.2
99.04378	0.8
100.01103	1.0
101.02348	42.2
101.35371	0.5
102.02701	1.3
113.02354	9.7
115.03906	1.6
119.03418	3.2
123.00829	0.6
125.02384	2.7
126.71765	0.6
131.03442	17.2
135.04436	0.5
143.03453	5.1
149.04504	84.8
150.04819	2.6
157.08707	0.7
161.04492	4.8
173.04536	2.5
175.07643	0.9
191.05594	22.9
192.05939	0.9
221.06648	8.2
243.17174	1.1
251.07802	7.1
281.09024	1.2
293.08768	4.3
311.09851	6.5
511.15897	0.7
524.35858	4.6
524.85852	3.9
525.23541	1.4
525.36432	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	525.2848
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
59.01237	82.4
66.75057	61.9
71.59219	91.5
78.42609	62.9
96.60297	62.5
99.00729	52.7
150.77368	57.5
187.86678	53.0
210.84721	54.7
525.28412	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	526.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.7
57.03326	0.3
59.01262	4.1
61.98723	3.5
63.01633	0.3
67.01786	1.2
69.03341	100.0
70.03667	2.1
71.01266	3.0
72.99201	2.1
79.01781	1.8
81.03351	1.0
83.04911	4.1
85.02850	1.6
87.00734	0.4
89.02341	1.0
95.01285	2.3
97.02849	21.2
98.03186	0.6
99.00780	26.3
100.01131	0.7
101.02370	0.8
101.05981	0.8
111.00777	0.6
113.02370	1.0
119.03454	0.4
121.64146	0.3
122.65055	0.3
123.00785	1.3
127.11234	0.3
134.03677	0.7
137.57993	0.3
141.01859	6.8
142.08691	0.4
145.04988	1.3
145.61592	0.4
169.12311	0.3
173.04501	0.9
176.10638	0.3
179.05602	0.4
185.00885	83.4
186.01250	3.0
188.09267	1.3
203.01952	1.0
210.40601	0.3
211.13402	2.2
212.13692	1.3
242.13860	0.5
275.07156	0.4
305.08307	1.0
314.09766	0.5
340.21411	0.9
441.14481	0.4
526.15094	0.7
526.23077	13.6
526.35181	0.8
527.23627	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	523.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.7
57.03336	3.5
58.00482	0.9
59.01264	10.4
61.98714	1.1
64.15430	0.2
68.99712	0.4
69.03339	0.9
70.09711	0.5
70.10126	0.4
71.01271	19.4
72.01616	0.3
72.99200	1.3
73.02835	8.0
75.00756	0.8
78.95803	0.9
83.01280	5.3
85.02843	12.5
85.99992	0.7
86.03169	0.2
87.00768	1.6
87.04396	1.1
89.02340	1.8
93.03343	0.6
95.01273	1.6
96.95891	0.3
97.02843	0.8
97.06493	0.5
98.19881	0.3
99.00784	3.3
99.40154	0.2
101.02346	16.9
101.05943	0.2
102.02682	0.4
105.44095	0.2
111.00070	0.3
111.00790	4.3
113.02355	7.5
114.02629	0.2
119.03394	0.5
122.06062	0.3
123.08067	1.0
124.01588	0.2
125.02349	0.7
125.09692	0.2
129.01862	1.3
129.09158	0.2
135.04431	1.1
135.08072	0.3
141.01865	0.5
141.09146	0.6
141.12788	0.9
143.03336	0.4
143.10687	0.5
145.02834	0.4
152.07129	0.4
153.09169	1.0
156.86253	0.2
159.02951	1.9
161.04492	2.2
169.12294	0.4
171.13881	2.3
173.04475	1.0
173.11769	0.2
174.04816	0.2
179.03421	0.2
185.00986	0.3
187.04015	0.3
187.13351	1.0
190.46428	0.2
191.05577	0.4
199.13318	0.3
201.14905	2.2
217.14500	0.8
239.11786	0.2
261.11508	0.2
264.02853	0.3
283.10980	0.3
295.22903	0.2
315.25436	0.9
316.13120	0.3
343.28659	0.4
359.28107	2.2
360.28473	0.3
361.29688	14.2
362.19565	0.2
362.30115	1.8
379.29657	0.2
388.96848	0.2
477.23526	1.1
492.17975	0.3
505.33737	0.2
521.33704	0.3
523.34979	100.0
524.22412	0.6
524.35333	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	524.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53614	0.1
56.11806	0.1
57.03349	0.1
59.01263	0.4
61.98717	100.0
69.03350	0.3
69.43378	1.0
71.01278	0.3
71.26788	0.1
78.95820	0.2
79.35278	0.1
85.02840	0.2
89.02339	0.4
101.02391	0.2
119.03340	0.2
123.41753	0.1
152.99521	0.2
171.10295	0.2
173.04453	0.3
185.00885	0.2
201.11334	0.1
209.11879	0.2
211.13347	0.3
325.20300	0.5
326.20621	0.4
525.17255	0.2
525.24182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86409	0.1
55.01775	2.6
56.00265	0.2
57.03079	0.2
57.03336	2.4
58.00476	0.8
59.01268	11.5
61.98711	0.4
68.99699	0.6
69.03342	0.8
71.01271	20.4
71.04911	0.3
71.58104	0.2
72.01617	0.2
72.99207	1.1
73.02837	8.8
75.00758	0.7
75.30553	0.1
78.95795	0.4
81.03350	0.2
83.01281	5.9
85.02844	13.4
85.99979	0.6
86.03186	0.3
87.00772	1.9
87.04401	0.5
89.02335	1.7
93.03352	0.4
95.01286	2.2
96.95883	0.2
97.02850	0.7
99.00177	0.2
99.00786	3.7
101.02348	18.5
102.02682	0.4
102.34566	0.2
107.04884	0.2
111.00791	4.2
113.02361	8.4
114.02691	0.2
119.03419	0.3
120.10323	0.2
121.10148	3.7
123.08080	0.4
125.02354	0.7
125.09621	0.3
129.01869	1.4
131.03389	0.3
135.04456	0.2
137.02269	0.2
137.09645	0.2
139.00296	0.2
141.01860	0.6
141.12791	2.3
143.03429	0.7
151.03925	0.2
153.12805	0.3
155.10721	0.5
157.12283	0.3
159.02950	2.0
161.04521	2.6
162.04803	0.3
169.12274	0.6
171.13858	2.7
173.04480	0.6
180.60901	0.1
180.94359	0.1
181.12242	0.3
183.13954	0.2
185.11790	0.2
187.07570	0.3
187.13387	0.8
191.05569	0.4
199.13374	0.6
199.90173	0.2
200.14240	0.4
201.14954	11.5
202.15265	0.7
216.13748	0.2
251.06967	0.2
267.07178	0.2
282.17761	0.2
299.26001	0.6
329.27054	0.4
333.19153	0.5
339.09891	0.2
341.26892	0.3
357.26447	0.4
359.28110	9.8
360.28470	1.3
362.19452	0.3
363.20328	4.8
364.20660	0.4
385.10989	0.2
402.10901	0.2
403.11624	0.6
443.19128	0.4
461.30933	0.6
491.32489	0.9
503.32440	1.0
519.32123	0.7
521.33423	100.0
522.33771	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	520.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.1
61.98717	0.9
69.46560	2.9
78.95796	63.7
96.96860	5.5
98.20548	0.7
116.08414	0.5
150.97957	1.8
152.99527	100.0
153.99879	2.0
171.00629	2.6
236.08287	0.4
279.23376	2.4
433.23706	42.8
434.24036	5.9
520.26935	7.6
521.27313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.2
62.96286	0.2
64.96845	0.1
70.93046	0.5
77.49203	0.1
78.95793	43.9
91.82236	0.2
96.96867	6.3
123.38799	0.1
150.97968	1.7
152.99525	100.0
153.99872	2.0
171.00607	3.7
172.02298	0.2
187.13597	0.2
212.12363	0.2
216.89659	0.2
235.59480	0.2
241.21648	0.2
279.23294	1.0
287.16089	0.2
292.58307	0.2
312.95526	0.2
433.23682	23.4
434.24072	3.5
520.26886	6.4
521.26868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	1.5
55.75074	0.6
57.03331	2.1
58.00476	3.0
59.01265	86.1
59.98418	1.4
60.01590	0.7
60.27611	0.6
61.98720	3.0
65.00623	0.7
69.03351	3.7
71.01271	74.7
72.01617	1.1
72.99206	3.2
73.02837	6.3
75.00734	1.0
76.30259	0.6
78.95787	1.1
80.15733	0.6
80.34619	0.5
81.03352	2.3
83.01270	5.3
85.02842	13.9
86.00005	0.8
87.00771	5.3
89.02337	87.3
90.02689	1.6
90.81797	0.6
93.03371	2.3
95.01289	2.6
97.02840	5.7
98.89065	0.8
99.00774	2.7
99.04426	2.8
100.70185	0.6
101.02346	26.6
109.02863	1.0
109.31651	0.7
111.00795	2.8
113.02356	15.4
116.92776	2.8
119.03421	5.4
121.02904	1.0
125.02364	21.4
129.01926	0.9
131.03427	24.5
132.03799	1.0
132.33986	0.6
135.04430	0.6
136.23476	0.7
139.03934	1.2
141.09163	0.6
143.03419	2.2
149.04491	40.8
150.04828	1.1
151.35643	0.7
159.02875	0.7
161.04489	2.2
167.03494	0.8
167.10733	100.0
168.11070	4.5
171.10262	0.8
173.04576	5.7
173.05943	1.1
179.03488	1.0
187.07597	1.0
191.05602	10.2
201.05536	0.8
201.11247	0.8
201.14949	0.7
205.30272	0.8
209.11877	0.7
233.06659	3.4
244.07434	1.1
283.13657	1.1
293.08844	62.6
294.09174	3.3
306.76035	0.7
317.21207	1.2
357.42694	0.7
359.28101	7.8
360.28513	0.9
389.15939	0.7
461.20425	2.2
461.83865	0.7
476.20004	0.7
520.32220	0.7
521.33429	37.5
522.34021	4.3
545.93427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.9
57.03347	1.9
59.01265	25.3
61.98715	4.8
69.03339	1.5
71.01270	7.0
71.56365	1.3
72.99212	1.5
73.02831	2.6
74.02357	2.1
78.95808	2.5
83.01275	1.9
85.02842	3.1
87.00778	2.7
89.02340	5.2
93.03375	1.8
96.96878	1.3
97.02863	3.5
99.00788	8.5
99.04435	1.8
101.02363	6.7
109.06534	1.1
110.03626	1.1
113.02354	3.3
119.03414	1.2
121.02899	1.0
122.06100	1.0
123.04367	0.9
125.02374	1.9
125.09666	1.8
135.04465	1.2
135.08119	0.9
136.05183	0.8
137.02440	1.0
142.02650	1.3
152.03464	3.1
152.07126	1.9
161.04536	2.1
163.11221	5.6
173.04543	3.8
179.05568	1.1
181.12314	17.3
183.02977	1.6
191.05554	1.8
193.04793	0.9
197.11850	1.1
199.13329	1.4
207.10263	36.3
208.10602	3.3
225.11330	100.0
226.11702	6.2
231.18451	0.9
235.08170	2.3
243.12442	8.8
253.09396	5.5
253.11777	1.0
281.09326	0.9
282.28717	1.0
293.09286	0.8
357.60605	0.8
446.17236	0.9
461.20410	62.4
462.20554	7.7
478.13483	1.3
520.27490	1.1
521.12140	1.1
521.27557	4.8
533.47058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25393	0.6
53.98970	0.6
57.03319	1.6
59.01265	62.0
61.98717	100.0
69.03344	0.9
71.01277	8.2
71.58743	1.1
73.02844	2.9
74.02375	1.2
78.95791	2.2
83.01289	1.1
85.02850	4.2
87.00782	0.9
89.02341	1.7
93.03394	0.8
93.57192	0.6
96.95933	0.7
96.96891	0.9
97.02831	0.6
99.00813	0.6
99.04426	0.9
101.02356	5.0
109.02876	0.5
113.01667	0.7
113.02330	3.9
116.92852	0.6
118.98051	1.6
119.03480	1.0
125.02444	0.8
134.03650	0.6
135.04445	1.4
151.00322	0.8
152.01125	0.6
152.07155	0.7
160.01653	0.9
161.04527	1.7
163.71040	0.6
173.04515	3.8
173.05811	0.7
178.99902	0.9
191.05609	1.3
193.04893	0.7
209.15482	1.1
308.21048	0.6
313.74234	0.6
353.19998	2.7
371.20779	3.8
413.21890	8.4
414.22247	1.7
520.13049	4.6
520.27759	1.9
520.63263	2.9
521.33759	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	519.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
59.01267	15.5
60.01587	0.4
61.98712	1.4
69.03345	2.8
69.27860	1.3
69.28290	2.6
71.01272	5.5
71.04895	0.9
73.02837	1.7
78.95784	0.5
83.01293	0.9
83.04937	0.6
85.02850	1.6
85.06477	0.6
87.00803	0.8
89.02344	2.7
93.02735	0.3
93.03352	1.4
93.72997	0.3
93.84221	0.4
95.01315	0.5
95.04980	0.5
96.95897	1.7
97.02847	0.9
99.00774	0.6
99.04425	0.6
101.02349	4.1
109.06484	0.7
111.04360	0.4
113.02357	1.6
116.17171	0.3
116.98669	0.4
119.03410	0.8
122.93430	0.4
125.02364	0.5
125.09665	0.4
141.01929	0.4
149.09653	0.6
161.04556	1.9
161.05713	0.3
167.10721	3.1
173.04520	1.9
174.04698	0.3
177.12842	0.7
179.05609	0.5
179.10735	1.0
179.14366	3.5
180.14769	0.6
187.11221	0.7
191.05617	1.0
191.70018	0.4
195.13881	10.5
196.14194	0.9
205.12334	10.2
205.14279	0.4
206.12639	0.9
207.09964	0.4
209.11867	1.1
223.13400	100.0
224.13733	7.8
224.58672	0.3
235.08295	1.0
253.09329	15.9
254.09711	0.9
283.13309	0.5
288.78732	0.4
357.26620	0.4
399.14761	0.8
459.22528	16.3
459.28641	0.6
460.22751	2.3
490.11200	0.4
504.21130	1.1
519.21924	0.5
519.31561	3.1
520.22931	0.4
520.32538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.5
57.03331	0.8
58.00486	0.5
59.01265	17.8
61.98717	0.4
69.03340	3.0
70.03662	0.4
70.12417	0.3
71.01270	4.1
71.04906	0.6
73.02830	1.0
83.01288	0.6
83.04919	0.6
85.02845	1.3
87.00780	0.6
89.02329	3.2
93.03378	0.4
95.04935	0.4
96.95915	0.5
97.02853	0.3
99.00788	0.9
101.02344	4.3
109.06493	0.7
113.02348	2.4
116.92764	1.2
117.03355	0.4
119.03397	1.1
125.02388	0.3
125.09651	0.3
143.03412	0.7
145.02902	1.7
149.09653	0.5
161.04469	1.5
161.13304	0.4
167.10736	2.9
173.04492	0.7
177.12868	0.4
179.05547	0.4
179.10719	1.1
179.14388	3.1
180.14748	0.4
185.00856	1.0
186.01225	0.4
191.05563	0.4
195.13867	9.3
196.14252	0.4
205.12320	8.3
206.12717	0.5
223.13393	100.0
224.13756	8.4
235.08228	0.6
253.09320	18.6
254.09657	0.6
294.99612	0.3
357.26517	0.8
459.22476	14.9
460.22665	2.1
486.59454	0.3
519.21710	0.5
519.32489	3.5
520.32410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05352	0.8
55.01757	1.7
57.03340	6.1
58.00467	1.9
59.01263	55.9
61.98706	1.9
67.01767	1.3
68.99706	2.6
69.03329	3.3
70.95487	0.9
71.01266	48.7
71.07142	1.0
71.07481	2.0
72.01595	1.0
72.99203	9.5
73.02836	8.3
75.00761	35.3
78.95790	3.0
81.03337	1.4
83.01276	5.4
83.04907	1.6
85.02840	49.8
87.00773	15.7
89.02331	13.3
91.01812	1.2
91.03894	2.2
91.05428	13.3
93.03381	2.7
95.01280	11.5
95.04919	2.5
96.96855	1.2
97.02833	1.4
99.00168	1.8
99.00777	21.9
99.04415	1.8
99.90643	0.9
100.01111	1.5
101.02341	10.4
103.00272	4.9
103.03910	0.9
106.04164	1.3
107.04319	0.8
107.04893	5.7
108.02072	1.4
109.02856	1.0
111.00793	3.0
111.04375	1.0
112.01528	1.3
113.02356	65.5
114.02694	1.7
115.00286	2.9
117.01849	3.5
117.03365	7.4
117.20589	0.9
119.03448	1.3
121.02885	2.4
123.04436	15.4
129.01878	4.3
131.03445	2.0
132.02057	1.6
133.02885	18.9
133.83044	0.8
135.04449	12.9
141.12869	1.0
145.55620	0.8
149.04462	1.8
151.03946	10.7
152.01149	1.1
157.01418	2.3
159.02969	1.1
161.04488	2.5
172.21130	0.8
173.04486	3.1
175.02405	4.6
185.00835	1.1
187.06221	0.9
191.05589	2.1
193.03500	2.8
205.07137	3.0
207.05038	2.2
231.05115	3.5
249.06190	41.7
250.06425	1.6
262.92950	1.0
267.07260	99.6
268.07642	4.6
357.26425	4.1
362.19632	1.1
367.10422	2.8
383.09952	3.0
385.11487	100.0
386.11795	8.7
399.23972	2.5
401.10956	84.9
402.11304	8.7
421.40439	1.1
483.18842	1.1
519.15192	95.0
519.31854	39.5
520.15582	13.8
520.32098	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	518.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.7
61.98713	1.1
62.96293	0.4
71.59690	0.4
75.25127	0.3
78.95795	62.1
85.81481	0.3
92.17806	0.3
96.96863	5.1
108.91872	0.3
126.28015	0.3
133.69867	0.3
150.97919	1.6
152.99529	100.0
153.99902	1.3
161.68939	0.4
167.79555	0.3
171.00641	2.6
224.64038	0.3
258.06793	1.0
259.07260	0.6
277.21896	1.9
282.80478	0.3
294.32455	0.4
320.23779	0.4
375.70584	0.4
431.22125	48.7
432.22495	5.9
475.19086	0.4
518.15442	1.7
518.25201	6.4
519.26312	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	518.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14490	0.1
59.01251	0.3
61.98704	0.1
62.96305	0.3
64.81396	0.1
71.58953	0.1
71.59315	0.1
78.95791	44.0
96.72218	0.1
96.96861	6.2
101.24859	0.1
123.08931	0.1
150.97958	1.6
152.99518	100.0
153.99858	1.9
171.00591	3.9
172.00850	0.1
212.01596	0.1
240.02788	0.2
244.41110	0.1
277.21756	0.9
278.22021	0.3
317.35760	0.1
431.22089	22.3
432.22406	3.0
518.25330	5.0
519.25769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.8
59.07170	0.3
61.98708	0.3
63.02297	0.3
65.00203	0.9
71.01252	0.9
78.95789	1.2
83.01258	0.7
85.02827	0.5
96.96851	0.6
101.02367	0.6
101.03903	0.5
103.48947	0.3
107.01283	1.2
108.02083	0.5
116.79503	0.3
125.02361	0.4
135.00801	0.6
135.98210	0.3
143.04970	0.4
145.02858	1.0
147.00867	0.6
148.01573	0.5
151.00310	5.0
152.00945	0.3
153.01884	0.4
155.04919	0.9
157.02855	0.7
159.04449	0.6
163.00316	0.6
167.04895	0.4
169.01427	0.6
169.02795	0.4
171.04439	1.1
173.04558	0.4
175.03973	0.3
177.01848	0.3
178.99736	0.3
180.24815	0.3
182.03568	0.3
183.04431	1.7
184.04881	0.4
185.02383	0.6
187.03925	1.6
198.03154	0.3
199.03986	7.4
200.04401	0.8
201.01984	1.1
203.03433	1.1
204.04262	0.3
211.03970	1.1
213.01907	0.4
215.03505	4.1
216.04045	0.5
225.02092	0.4
226.02751	0.8
227.03519	7.8
228.03929	0.8
229.01443	0.7
242.02235	6.0
243.03011	37.8
244.03412	3.9
254.02261	0.6
255.03021	17.0
256.03409	2.2
257.04584	5.7
258.05020	0.4
259.06189	0.5
270.01749	6.5
271.02521	53.5
272.02991	6.3
285.04132	11.9
286.04822	4.6
287.05606	1.2
299.02029	59.8
300.02716	27.5
301.03210	1.9
313.03580	0.5
314.04382	62.3
315.05142	100.0
316.05487	9.1
316.08975	0.6
327.05225	0.4
357.06265	0.8
457.76126	0.3
519.11548	90.1
520.11835	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	517.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97548	0.9
57.03337	41.2
57.86865	1.0
59.01263	100.0
60.01596	1.7
61.98425	1.2
61.98719	19.0
65.47297	0.9
69.03342	2.9
69.27144	2.4
69.27558	7.7
71.00903	1.4
71.01269	19.4
72.99170	2.4
73.02831	9.6
74.02348	1.0
75.00755	1.6
78.95803	6.2
81.03362	1.4
83.01283	5.6
83.04873	1.0
85.02839	6.4
87.00779	2.1
89.02328	10.3
93.02831	0.8
93.03354	4.2
95.01316	1.7
96.95895	3.5
96.96864	3.9
97.02832	1.6
97.06481	0.9
98.19791	2.1
98.95468	1.9
99.00738	1.2
99.04416	37.5
99.92467	2.0
101.01709	1.4
101.02349	25.8
106.06555	0.9
111.00745	1.8
111.04397	0.9
113.02349	9.7
115.91981	2.0
116.92776	9.3
119.03430	4.1
123.04394	3.4
125.02375	12.8
131.03400	0.9
132.02036	1.0
133.02873	2.1
134.03670	4.9
134.05998	1.1
135.04437	3.2
136.07628	2.2
137.02373	2.3
141.01817	1.1
141.25717	0.9
143.03400	3.3
149.02353	1.6
149.04446	1.9
153.01683	0.9
153.05463	1.0
155.03362	1.1
155.91031	0.9
160.01601	4.4
161.02295	1.4
161.04478	5.7
162.05594	6.0
173.04512	9.1
175.03906	5.4
176.04681	1.5
177.01866	7.8
178.02274	2.8
179.02225	1.1
179.05620	1.8
180.06624	1.2
185.00912	1.0
191.05553	6.2
191.07086	2.0
193.05045	5.2
221.06528	2.0
222.07457	1.0
235.06129	2.9
331.37592	1.0
342.12067	1.5
367.64642	1.1
397.22266	2.5
415.23395	1.7
457.24011	2.4
517.26453	8.3
518.16858	14.3
518.25201	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	518.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.7
58.00469	0.6
59.01263	51.2
60.01607	0.8
61.98716	100.0
67.10909	0.4
69.03336	1.2
71.01269	13.5
71.30116	0.7
72.99213	1.3
73.02833	11.4
78.95796	1.2
83.01273	4.1
85.02859	2.7
87.00790	0.4
88.98711	0.5
89.02337	4.9
93.03358	0.8
95.01251	0.9
96.96851	0.7
99.00800	0.5
101.02345	14.5
102.02602	0.4
113.02355	7.6
115.78307	0.4
119.03423	2.6
124.91441	0.4
125.02385	0.8
128.03409	0.5
131.03426	1.9
134.03543	0.5
135.04407	0.5
136.44836	0.4
137.09674	3.0
138.41742	0.4
143.03419	2.8
149.03453	0.5
149.04495	4.5
155.03429	0.4
161.03236	0.4
161.04488	6.7
173.04411	1.7
179.05438	1.0
181.91400	0.4
189.12714	0.8
191.05569	0.7
203.05470	1.1
207.13837	0.5
221.06685	2.2
226.05928	0.4
271.02371	0.6
354.31830	0.4
411.19885	1.0
467.03958	0.5
502.97269	0.5
518.25513	0.8
519.10980	1.1
519.26257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06273	0.0
55.01772	0.2
57.03343	0.1
57.99324	0.0
58.00504	0.2
59.01262	4.7
60.01611	0.1
69.03343	0.1
69.31255	0.0
70.56220	0.0
71.01267	3.7
72.99204	0.2
73.02830	0.7
73.03180	0.1
75.00776	0.1
81.03360	0.0
83.01275	0.5
83.04932	0.0
85.02835	0.9
85.03275	0.1
86.00055	0.1
87.00768	0.6
87.01192	0.1
89.02333	3.3
90.02690	0.1
91.03917	0.2
95.01276	0.3
97.02864	0.1
98.19795	0.1
99.00803	0.2
101.02346	3.8
102.02699	0.1
103.03916	0.1
111.36621	0.0
113.02352	1.8
113.28537	0.0
115.03969	0.1
119.03426	0.8
125.02381	0.2
129.01872	0.1
131.03461	0.2
133.04945	0.3
138.42259	0.0
143.03442	0.4
145.05034	0.1
152.99554	0.1
157.05096	0.1
161.04497	1.4
162.04883	0.1
179.05547	0.5
187.05975	0.1
192.46136	0.0
193.91084	0.0
210.78056	0.1
219.79665	0.0
235.05861	0.1
235.08258	1.1
236.08510	0.1
253.09328	14.9
254.09644	0.7
261.22430	0.3
279.23337	100.0
280.23676	11.0
332.16760	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	516.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.5
61.98717	100.0
62.98423	0.1
71.59053	0.2
83.79072	0.1
117.55318	0.1
170.18858	0.1
173.04610	0.3
189.84311	0.1
193.27327	0.2
287.17538	0.1
292.20184	0.4
342.18658	0.1
518.61646	0.1
544.33417	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	517.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85485	0.4
54.00910	0.4
55.01762	3.7
57.03326	1.3
59.01263	31.1
61.98712	1.4
67.01762	0.6
69.03342	100.0
69.76443	3.4
70.03659	2.6
71.01259	4.5
71.20272	0.5
72.99189	2.7
73.02819	2.6
74.97779	0.4
79.01806	1.2
83.01279	0.9
85.02840	3.1
87.00779	0.7
87.04422	0.8
89.02348	1.7
93.29116	0.5
95.01261	2.6
97.02370	0.4
97.02848	22.2
99.00778	26.8
99.04420	1.2
100.01091	0.5
101.02335	4.3
113.02348	2.9
121.02892	1.1
123.00780	1.6
125.02365	1.1
134.03635	0.5
141.01871	6.7
143.03409	0.9
145.02936	1.2
161.04437	0.9
173.04468	1.6
175.03989	0.8
185.00879	95.6
186.01233	5.5
191.97806	0.6
227.59180	0.5
331.24939	8.2
331.69516	0.5
332.24979	0.7
355.24753	1.1
374.70865	0.5
401.08835	0.7
415.23392	1.8
457.24307	0.6
517.26306	23.4
518.19385	0.8
518.26440	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	515.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.2
57.03346	0.2
58.00488	0.2
59.01263	3.9
68.23254	0.1
71.01269	3.7
71.58698	0.1
72.99217	0.3
73.02840	0.8
78.95811	0.3
83.01271	0.5
83.04974	0.1
85.02851	1.0
87.00777	0.5
89.02336	2.7
90.02729	0.1
91.03894	0.1
95.01303	0.3
97.02879	0.2
99.00797	0.3
101.02350	3.6
103.03899	0.2
113.02355	1.7
115.03945	0.1
117.28277	0.1
119.03410	0.8
124.24438	0.1
125.02320	0.1
131.03427	0.1
133.05023	0.3
143.03409	0.3
145.05069	0.1
152.99515	0.3
157.05003	0.2
161.04489	1.3
173.19247	0.1
179.05548	0.4
235.08269	1.2
253.09328	14.4
254.09642	0.6
260.92676	0.1
261.22296	0.3
279.23343	100.0
280.23685	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	515.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.8
57.03337	56.1
58.03672	1.4
59.01263	100.0
60.01603	1.3
61.98712	3.4
64.17435	0.5
67.01768	1.3
69.03340	7.3
69.58439	0.6
69.58768	5.0
71.01267	21.2
72.99201	2.2
73.02844	7.0
75.00768	2.1
78.95795	1.2
81.03345	2.1
83.01266	4.3
85.02840	9.1
87.00786	1.8
89.02334	7.8
93.03352	3.8
93.86691	0.6
95.01299	2.5
96.47995	0.7
96.95914	0.7
97.02874	2.3
97.06512	1.0
98.19843	1.2
99.00246	0.7
99.00774	3.6
99.04417	67.6
100.04759	2.4
101.02347	29.8
102.02750	0.7
105.03509	0.6
111.00780	1.4
111.04442	1.3
113.02366	9.6
116.97202	0.9
119.03443	2.4
123.04426	1.4
123.75607	0.6
125.02363	29.3
125.13880	0.6
126.02657	1.5
131.03616	0.6
133.02890	2.1
134.03658	2.4
135.04433	1.5
135.08096	0.9
137.02403	2.0
141.01920	1.7
143.03447	3.1
149.02393	0.9
149.05995	1.1
151.04016	0.8
155.03484	1.3
159.02965	1.4
161.04485	5.3
173.04500	15.4
175.03842	0.7
177.01913	1.1
178.02405	0.9
179.03531	0.7
185.00862	3.3
191.05594	2.5
209.15497	2.2
221.06613	1.1
230.87636	0.6
231.68890	0.6
257.19638	0.7
329.23581	1.1
341.12732	1.0
353.19724	4.0
371.20834	18.7
372.21161	2.6
413.21985	6.5
414.22134	0.9
453.24866	1.1
501.14362	0.8
515.29584	11.7
516.29303	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	515.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.7
57.03334	92.3
58.00475	0.7
58.03683	1.7
59.01262	100.0
60.01620	0.9
60.44338	0.5
61.98710	0.8
66.45038	0.5
69.03322	1.0
71.01270	22.6
71.59096	1.0
72.99187	0.6
73.02832	7.4
75.00770	0.6
78.97890	0.5
81.03342	1.3
83.01276	4.1
83.04910	0.9
85.02845	9.2
87.00764	0.8
89.02335	7.8
95.01279	1.4
97.02852	0.9
99.00768	2.5
99.04415	99.9
100.04746	2.4
101.02342	34.1
102.02690	1.0
113.02357	8.9
119.03432	3.8
123.04460	1.0
125.02365	33.7
126.02739	0.8
131.03377	0.7
135.04466	0.6
143.03409	4.2
149.04630	0.6
159.02861	0.9
161.04500	8.7
162.03497	0.6
173.04460	2.3
177.01897	0.9
177.97336	0.5
179.05569	4.1
191.05547	1.8
203.05521	0.9
209.15532	0.5
277.07877	1.0
371.20746	7.6
413.21854	5.3
453.24554	0.9
515.17883	1.1
515.25012	12.9
515.32379	0.9
516.25299	1.6
528.37683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.7
57.03339	68.7
58.00486	0.9
58.03672	0.6
59.01265	100.0
60.01612	1.2
61.98721	2.5
64.89168	0.5
69.03340	2.1
70.35142	1.4
71.01269	20.9
72.01593	0.7
72.99209	1.1
73.02828	6.5
75.00784	0.8
78.95790	1.4
81.03345	1.4
82.79130	0.6
83.01273	3.0
85.02856	6.6
87.00776	1.8
89.02336	11.3
93.03359	2.1
95.01292	2.0
96.95916	2.2
97.02870	1.0
99.00786	2.2
99.04419	79.1
100.04774	2.2
101.02348	29.2
102.02679	0.6
105.03381	1.8
109.02856	0.7
111.00846	0.6
111.04423	1.0
113.02351	7.3
116.97128	0.6
119.03413	4.2
123.00812	0.6
123.04425	1.0
125.02369	29.2
129.01807	0.6
131.03430	0.9
133.02902	6.3
134.03636	1.9
135.04411	1.7
137.02335	0.8
143.03442	3.9
147.04369	0.9
149.02344	1.0
149.04492	1.6
155.03419	0.6
155.93362	0.5
161.04541	5.2
166.99725	1.2
173.04507	11.3
174.04797	1.0
176.01089	0.7
177.01892	48.5
178.02248	3.5
179.03430	0.6
179.05612	5.0
185.00844	1.0
187.07570	0.7
191.05618	2.8
193.05052	1.3
215.00667	0.6
221.06604	0.7
233.65926	0.6
293.11780	0.9
310.68872	0.7
339.07108	1.8
353.23441	1.4
371.20737	7.2
413.21790	6.1
415.19763	1.1
453.24927	2.4
515.12122	5.2
515.24713	16.7
516.12689	0.9
516.24951	3.2
531.15173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.0
55.04459	0.5
56.29068	0.5
56.42110	0.6
57.03336	100.0
58.00471	0.9
58.03676	1.8
59.01263	74.9
60.01592	1.2
61.98716	1.5
62.51186	0.5
62.53543	0.6
69.03336	2.7
70.03694	0.6
71.01267	32.7
71.55350	0.7
71.55688	0.7
72.99197	1.6
73.02834	25.2
78.95795	0.9
79.05405	2.2
81.03345	3.3
83.01279	11.2
85.02838	5.9
85.24837	0.5
87.00765	2.2
89.02338	11.9
93.03354	1.4
95.01283	2.7
95.04912	1.2
96.95926	1.1
97.02832	0.9
97.06477	2.1
99.00755	1.7
99.04417	83.9
100.04749	2.4
101.02344	50.0
102.02700	1.0
108.02063	0.9
109.06494	1.1
111.04375	0.6
113.02355	19.2
113.05984	4.5
114.28448	0.5
117.68310	0.6
119.03416	7.4
123.04439	20.9
124.04752	1.2
125.02361	30.4
126.02728	1.3
131.03403	3.8
134.03630	0.6
135.04407	1.7
139.13405	0.5
141.05525	4.3
143.03419	5.6
147.03050	0.6
149.04515	4.3
153.05495	3.3
155.03442	1.1
161.04503	11.0
162.04823	0.7
173.04521	3.7
176.68108	0.6
177.01913	3.5
179.05576	3.5
183.06480	0.7
185.00813	0.6
189.07506	0.8
191.05530	1.9
193.74817	0.6
201.07542	0.9
221.06564	2.0
261.09772	1.4
263.06970	0.6
275.07025	1.3
293.08136	1.1
341.10788	0.6
471.21991	2.4
515.17511	1.0
515.24365	8.8
516.25330	1.4
528.61823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.0
57.03338	58.2
58.00500	1.1
58.03667	1.3
59.01263	100.0
60.01594	1.7
61.98711	5.2
69.03345	8.8
69.60118	2.3
69.60539	3.6
71.01270	31.2
71.36396	0.8
72.01633	0.9
72.99201	2.3
73.02837	10.9
75.00771	1.7
78.95814	2.6
81.03374	1.5
83.01276	5.6
83.04919	0.9
85.02840	13.5
85.03281	1.1
87.00800	2.6
89.02341	12.9
89.02823	0.9
90.72248	0.8
93.03400	2.3
95.01323	3.2
95.04939	0.9
96.95920	3.8
96.96883	0.9
97.02872	5.0
98.19812	1.6
99.00774	4.3
99.04420	63.7
100.04784	1.5
101.02350	33.9
102.02698	0.9
110.89615	0.9
111.00828	1.3
113.02351	13.2
119.03427	6.1
123.00900	0.9
123.04476	1.9
123.08071	0.8
125.02374	26.0
126.02772	1.3
128.03476	1.4
131.03575	1.3
133.02962	1.2
135.00890	1.1
135.04546	1.3
137.02448	1.1
140.97543	0.8
141.01874	4.7
143.03474	4.1
159.03003	1.1
161.04485	7.0
167.03531	1.3
173.04518	6.9
177.01868	3.8
179.03577	1.2
179.05727	1.9
185.00887	3.8
185.11929	1.1
191.05716	3.1
203.05731	1.8
209.15628	0.8
285.43893	0.8
292.07281	1.0
311.08127	1.7
321.11713	0.8
327.18561	0.9
329.23349	9.7
330.24014	1.4
353.23679	1.3
371.20660	8.4
413.21899	5.2
443.23560	1.3
450.24347	2.4
455.23383	1.0
479.12720	3.1
515.29504	33.8
516.30298	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62372	0.2
52.83359	0.3
53.76445	0.3
58.00496	0.4
59.01265	63.1
60.01613	0.5
60.73441	0.3
61.98721	1.1
68.58353	0.3
69.39841	3.0
71.01275	3.7
73.02827	0.7
75.00785	0.3
85.02827	1.9
89.02340	2.5
93.03336	0.5
95.01279	0.9
97.02843	0.4
101.02341	4.1
113.02351	6.0
114.02679	0.4
115.10902	0.3
119.03421	2.5
125.05981	0.4
137.02385	0.7
148.08911	0.7
150.10422	0.5
161.04515	2.0
163.11258	0.5
165.12793	13.9
166.13158	1.1
173.04535	0.7
175.11218	0.5
176.11964	0.5
179.14334	0.3
191.14417	0.5
203.93289	0.3
217.16046	0.4
221.06577	0.4
226.48860	0.3
247.20691	7.0
248.21053	0.7
273.07697	0.7
273.18680	3.9
287.20270	0.5
291.19724	100.0
291.52081	0.4
292.20041	10.5
301.21887	0.3
305.21274	3.1
315.19635	0.7
333.20724	5.1
334.21259	0.4
345.20892	0.6
363.22009	0.5
513.28223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34249	0.0
55.01769	0.4
57.03329	0.1
58.00470	0.2
59.01263	6.1
59.98405	0.0
60.01601	0.1
62.80822	0.0
67.27457	0.0
68.99702	0.1
69.03345	0.1
70.20663	0.2
71.01267	4.3
72.01620	0.0
72.61607	0.0
72.99187	0.2
73.02834	1.1
74.03178	0.0
75.00757	0.1
75.68756	0.0
81.03346	0.0
83.01267	0.5
83.04930	0.1
85.02840	1.1
86.00003	0.0
86.09787	0.0
87.00774	0.6
89.02334	3.2
90.02668	0.1
91.03914	0.1
95.01288	0.3
97.02869	0.2
98.20495	0.0
99.00775	0.3
99.04401	0.1
101.02341	4.1
102.02685	0.1
103.03920	0.1
113.02353	1.8
113.06009	0.1
114.02666	0.1
115.03898	0.2
119.03405	0.9
125.02363	0.2
125.82946	0.0
127.07581	0.2
129.01840	0.1
131.03455	0.1
133.05003	0.3
141.09077	0.1
143.03433	0.5
145.05025	0.1
149.04485	0.1
155.14262	0.0
157.05022	0.2
159.27672	0.0
161.04498	1.6
162.04913	0.0
179.05563	0.5
182.13145	0.0
187.06142	0.0
197.11749	0.0
218.02798	0.0
221.68983	0.1
233.22775	0.3
235.08226	1.4
236.08557	0.1
252.53188	0.0
253.09317	16.2
254.09676	0.9
257.19006	0.0
259.20697	0.3
275.20160	0.3
276.20563	0.1
277.21765	100.0
278.22107	11.4
278.28259	0.1
291.23120	0.0
296.36716	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	513.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03337	0.2
58.00473	0.2
59.01262	6.1
59.98409	0.0
60.01605	0.1
68.99728	0.0
69.03344	0.1
71.01266	5.1
72.01615	0.1
72.75878	0.0
72.99190	0.3
73.02830	1.1
73.04239	0.0
75.00773	0.1
78.95785	0.4
81.03350	0.0
83.01268	0.7
83.04922	0.2
85.02838	1.1
85.99963	0.1
87.00762	0.6
87.58688	0.0
89.02335	3.5
90.02676	0.1
91.03901	0.2
95.01299	0.4
96.96896	0.0
97.02850	0.2
97.06485	0.1
99.00769	0.3
99.04445	0.1
101.02344	4.4
102.02695	0.1
103.03920	0.2
109.02907	0.1
111.85623	0.0
112.01561	0.1
113.02354	2.2
113.06004	0.0
114.02657	0.1
115.03936	0.1
119.03407	1.0
119.04250	0.1
125.02364	0.3
127.07590	0.2
131.03450	0.1
133.04993	0.4
139.66295	0.0
143.03412	0.4
145.05008	0.1
149.04495	0.1
152.99509	1.0
156.51711	0.0
157.05014	0.1
161.04503	1.5
161.05852	0.1
162.04915	0.1
171.00632	0.1
179.05588	0.5
182.13348	0.0
187.06171	0.1
191.10677	0.0
205.19557	0.1
233.22830	0.3
235.08249	1.4
249.97159	0.0
253.09322	15.9
254.09700	0.8
259.20712	0.3
275.20221	0.4
277.21768	100.0
278.22107	11.3
431.22296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21839	0.1
59.01264	0.8
60.01575	0.1
60.84628	0.1
61.01697	0.1
61.98716	100.0
62.98423	0.2
69.47240	0.5
69.47651	0.2
83.04910	0.1
84.05285	0.1
87.92769	0.1
93.34035	0.1
95.66571	0.1
98.63948	0.1
121.96324	0.1
173.04521	0.1
235.95135	0.1
266.56293	0.1
293.97559	0.1
307.93890	0.1
452.33502	0.3
453.33325	0.4
454.33893	1.1
513.31555	0.1
514.32227	0.5
515.17883	0.1
515.33099	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	513.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.3
56.04751	0.7
57.03337	100.0
58.00486	1.7
58.03671	1.8
59.01263	81.7
60.01594	1.6
61.98719	3.1
68.94190	0.7
69.03344	14.0
71.01269	42.6
71.55466	1.7
72.99212	2.8
73.02834	35.3
75.00773	3.4
78.95805	0.8
79.05432	2.1
81.03357	3.9
83.01280	11.0
83.04942	0.8
85.02841	10.1
87.00785	2.2
89.02339	15.1
92.17316	0.7
93.03366	2.2
95.01285	4.3
95.04938	1.4
96.95915	1.2
97.02881	3.3
97.06517	3.0
99.00791	5.1
99.04419	97.2
100.04777	2.8
101.02346	59.1
102.02673	2.1
108.02065	1.0
109.06531	2.4
111.00791	0.9
113.02358	24.0
113.05994	3.9
114.02679	1.0
116.92714	0.8
119.03416	7.6
120.39693	0.7
123.04437	28.3
124.04776	1.2
125.02367	46.1
126.02734	2.0
131.03426	4.5
133.02913	1.1
135.04533	1.3
137.02400	1.3
141.01881	1.2
141.05495	4.8
143.03432	7.1
149.04466	6.1
153.05504	5.7
155.03456	2.0
161.02412	2.2
161.04495	15.2
173.04507	6.6
175.04016	0.8
179.05621	3.3
183.06595	1.6
185.00893	12.6
186.82298	0.8
189.12878	1.0
191.05644	2.7
193.05164	1.6
203.05658	1.5
221.06592	3.5
265.16345	1.3
275.07172	1.5
307.09702	1.0
337.14917	1.9
341.11133	1.4
351.21960	1.2
379.48746	0.7
413.14902	1.4
441.19724	1.3
469.19421	1.5
513.17786	1.6
513.23700	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	513.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
57.03337	77.9
58.00485	0.8
58.03671	2.0
59.01265	100.0
60.01589	1.0
61.98709	1.0
69.03355	2.4
69.61687	3.6
71.01271	33.4
72.01624	0.7
72.99201	2.4
73.02834	16.6
78.95764	0.5
81.03345	2.0
83.01275	8.1
85.02849	7.1
87.00772	1.8
89.02332	17.9
93.03367	0.9
95.01257	3.1
96.95876	0.5
97.02844	1.3
97.05494	0.4
97.06458	1.1
99.00768	1.8
99.04419	93.5
100.04738	2.4
101.02348	40.6
102.02695	1.2
108.01990	0.5
113.02354	18.5
113.05975	1.0
119.03422	9.5
121.02843	0.5
121.06516	1.0
123.04440	6.9
125.02367	41.3
126.02709	1.2
131.03432	2.6
135.04472	0.6
137.02438	0.5
137.09660	8.5
137.10651	1.0
137.94743	0.5
138.09970	0.5
141.05493	0.8
143.03429	5.7
145.02905	0.6
146.64746	0.6
149.04512	3.9
153.05432	1.2
155.03412	1.0
161.04506	16.2
173.04459	1.8
179.05579	6.7
185.00822	0.7
186.20949	0.5
189.12805	1.0
191.05534	1.0
203.05533	1.6
203.98978	0.5
207.13841	0.7
221.06668	2.8
233.06595	0.6
263.07733	2.5
275.06879	0.6
323.09851	2.8
324.10074	0.6
369.19006	1.8
411.20166	1.5
428.44388	0.6
469.24359	1.1
513.23657	7.7
513.30878	0.7
514.23615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
57.03338	93.0
58.00480	0.9
58.03682	1.2
59.01264	100.0
60.01589	1.6
61.98718	6.7
67.01799	0.9
69.03347	10.7
70.77986	1.8
71.01267	37.4
72.01582	1.3
72.99198	3.4
73.02831	20.9
74.51366	0.8
75.00750	1.1
79.05433	0.8
81.03354	3.1
83.01279	8.9
85.02843	15.4
87.00771	2.3
89.02338	26.7
93.03348	2.2
95.01270	3.5
96.95905	1.8
97.02838	3.4
97.06486	1.1
99.00787	6.3
99.04419	95.6
100.04738	3.1
101.02347	49.2
102.02709	1.5
110.81577	0.7
111.00790	1.4
111.04402	0.8
113.02361	21.1
113.05978	1.6
119.03418	8.4
121.06510	1.1
123.00776	1.0
123.04420	8.4
125.02367	45.3
126.02695	1.9
129.01851	2.4
131.03415	3.2
132.02092	1.9
134.03677	1.8
137.09653	12.9
138.09969	0.9
139.36960	0.8
141.01884	1.3
141.05560	1.6
143.03435	7.6
149.04489	4.8
149.09604	1.0
151.03979	1.1
153.05540	1.1
155.03514	0.9
160.01640	7.1
161.04503	27.4
162.04825	1.0
166.99780	2.0
173.04480	6.5
175.03951	7.9
179.05582	11.5
182.02118	1.2
185.00908	10.0
189.12814	1.7
191.05568	2.3
193.05037	1.9
203.05528	1.9
205.03526	1.7
221.06654	2.0
233.06744	2.0
263.07739	7.6
275.07233	2.7
292.07510	2.3
307.09891	1.8
323.09933	10.1
327.21710	1.1
351.17905	1.0
351.21866	1.9
369.19177	2.3
386.01910	0.9
411.20148	1.1
413.14288	4.0
481.14008	1.4
513.23749	8.7
514.23285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.8
57.03336	76.5
58.00483	0.8
58.03664	1.8
59.01265	100.0
60.01606	0.7
61.98724	1.5
62.29832	0.8
66.40330	0.6
69.03343	1.8
69.64876	1.8
69.65294	3.1
71.01270	32.3
72.01559	0.8
72.99191	0.8
73.02835	17.7
81.03357	1.9
83.01273	6.4
85.02838	8.0
87.00774	1.7
89.02338	20.9
93.03374	1.0
95.01281	2.9
97.02838	1.1
99.00797	2.1
99.04418	90.2
100.04763	2.3
101.02347	44.3
102.02710	0.9
113.02357	18.4
113.05952	1.2
119.03419	8.6
123.04454	6.4
125.02369	41.0
126.02699	1.8
131.03398	2.3
131.36375	0.6
135.04465	0.7
137.09654	8.4
141.05518	1.1
143.03432	6.5
149.04442	2.8
153.05493	1.6
155.03406	1.1
161.04514	16.2
164.54977	0.7
173.04503	2.1
175.03799	0.8
179.05573	8.4
183.06531	0.8
185.00856	0.6
189.12863	1.1
191.05569	1.6
203.05357	0.6
221.06538	2.3
263.07617	2.8
323.09677	3.0
369.19104	1.4
398.79956	0.7
411.20059	1.4
469.24368	1.1
506.04184	0.8
513.16644	0.7
513.23236	7.3
513.30505	1.4
514.23767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33199	0.5
57.01775	0.4
59.01270	3.0
61.98713	1.7
68.00100	0.5
68.77295	0.5
68.99702	7.5
69.03349	0.6
71.01266	2.2
71.04885	0.6
73.02838	3.8
83.04950	0.5
85.02848	0.9
88.92565	0.4
93.03369	0.7
99.00779	16.7
101.02352	1.6
104.79150	0.5
113.02338	0.5
117.03436	0.5
119.04930	0.7
123.04440	0.6
132.02097	25.8
133.02962	3.6
134.03667	23.5
135.04082	0.7
137.02371	1.0
149.06042	3.0
160.01605	98.8
161.01944	5.4
161.04485	0.5
173.04486	2.8
175.03960	100.0
176.04305	6.0
177.01801	0.6
178.02676	1.2
185.00835	0.7
187.86732	0.4
193.05032	38.3
194.05396	1.8
203.08234	0.6
235.11995	0.7
261.07968	0.7
303.10950	1.3
393.15668	0.6
396.14420	0.8
411.16687	47.3
412.16824	4.0
479.15686	19.8
480.16013	3.0
511.18286	28.3
511.25641	1.2
511.36148	1.2
512.18567	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	513.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23676	0.3
57.03328	1.0
59.01264	9.0
60.01596	0.3
61.98719	0.6
68.99706	0.9
69.03340	0.9
71.01268	4.3
71.15733	0.5
72.99206	0.7
73.02842	1.1
79.20329	0.3
83.01279	0.5
85.02834	2.2
87.00764	0.7
89.02341	1.9
93.03356	2.5
95.01263	0.6
97.02860	0.6
99.00805	0.6
99.04399	0.9
101.02351	4.7
103.33524	0.3
111.04436	0.3
113.02361	4.7
119.03400	1.5
125.02332	0.3
135.04359	0.3
137.02339	0.5
143.03375	0.4
146.77710	0.3
161.04524	0.7
173.04503	1.7
185.00912	0.7
187.03868	0.3
191.05583	0.9
203.08624	1.2
205.06502	0.3
219.08160	6.8
219.10295	0.4
220.08478	0.8
221.06209	0.4
229.06511	0.8
230.07391	5.3
231.08162	6.3
232.05328	0.4
232.08900	0.7
233.06137	1.2
233.09747	0.7
237.05533	0.7
245.06113	1.1
246.06796	1.0
247.07671	23.3
248.08086	2.2
251.07062	0.5
257.06067	0.7
257.46252	0.3
258.06897	5.5
259.07187	0.7
261.05621	1.8
261.09204	1.0
262.05884	0.4
263.07068	0.3
263.10791	0.6
273.05612	0.9
274.06271	0.6
275.07196	100.0
276.07510	10.7
279.10464	0.4
283.13550	0.6
289.08737	1.0
307.09814	55.0
308.10156	6.1
321.11282	0.4
327.16199	0.4
345.22736	0.6
349.10983	1.9
381.25089	0.3
383.34149	0.3
391.11963	0.5
450.23331	0.3
477.23553	0.6
481.11536	9.4
482.12003	1.8
491.20425	0.3
504.20963	0.5
513.14087	4.6
514.14648	0.6
514.26910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94473	0.6
57.03318	1.0
59.01260	11.2
61.98705	2.5
67.01754	1.3
69.03334	2.8
71.01268	4.4
72.99190	0.7
73.02826	1.4
80.04956	2.8
83.01307	0.9
84.91026	0.6
85.02846	1.3
87.00804	0.9
87.04444	0.9
89.02346	5.5
91.44926	0.5
93.03365	0.9
93.92600	0.7
94.06511	1.6
95.01276	1.2
97.02831	0.7
98.19846	1.7
99.00764	2.0
101.02345	3.2
104.04981	0.8
107.03669	4.1
109.02831	0.7
111.04397	4.6
113.02336	1.6
115.05663	0.6
115.18923	0.6
119.03468	1.1
119.04929	2.5
120.04445	0.9
121.02921	0.8
122.06035	21.6
124.07652	0.8
131.03473	1.1
132.04453	2.7
134.06027	4.3
135.00832	0.9
135.04437	6.9
137.06023	1.0
139.02635	1.3
145.02893	1.2
146.06032	1.4
149.04489	3.1
150.05571	4.9
152.01152	0.6
152.07114	41.1
153.07452	1.3
155.03444	7.2
156.08112	0.8
160.03992	1.9
160.07552	1.0
161.02393	1.5
161.04492	1.1
163.03911	5.2
164.07127	1.7
170.06081	1.2
172.07610	0.8
173.04451	3.1
174.05511	2.0
174.09143	0.7
176.07083	0.7
182.06078	1.2
183.06790	1.5
184.07643	2.5
185.00941	1.3
185.04793	0.8
186.05554	3.4
190.05016	1.7
191.05539	1.6
198.05566	1.8
198.09261	3.9
200.03433	1.1
200.07169	5.1
202.08684	2.7
203.02121	0.7
210.05516	2.8
211.06361	1.7
212.07043	1.1
213.04301	4.3
214.05173	3.0
214.08829	0.6
218.04553	2.4
223.08621	0.7
224.07205	1.8
226.05156	4.3
226.08734	9.6
227.05843	2.7
228.06644	14.5
229.07089	1.3
235.08765	0.9
237.10362	1.7
238.08755	1.2
240.06599	2.9
242.04573	1.8
242.08221	7.8
245.12932	1.8
249.06712	2.2
249.10355	0.8
250.07413	1.5
251.08217	1.4
252.06676	1.8
254.04602	1.8
254.08168	2.3
260.09360	1.5
265.09854	3.2
266.10544	1.7
268.06332	1.5
270.07758	4.2
272.05789	0.6
277.06226	0.8
277.09567	0.8
281.09470	1.1
282.07437	1.7
286.07385	2.9
293.09415	2.8
294.09811	1.0
295.10959	3.3
296.11664	4.8
297.12399	3.2
303.11499	0.8
305.08792	0.7
310.09695	0.9
311.13913	0.6
314.06781	1.4
319.14343	0.9
323.10431	7.0
324.10880	1.7
325.12015	2.4
335.14044	0.7
339.09949	1.2
340.10602	4.4
349.15601	1.3
349.19577	0.6
351.13763	1.1
353.11746	1.3
355.13065	43.3
356.13422	5.5
363.13727	1.2
363.17572	1.0
365.11133	0.9
365.15179	1.4
375.14059	1.1
377.11279	0.8
379.12833	1.8
381.11029	1.3
383.12497	6.5
384.12793	0.6
384.77963	0.7
391.17010	4.5
393.14685	6.7
407.11801	1.2
407.16180	2.3
411.15829	1.2
417.14743	1.1
419.12720	5.0
420.13028	0.6
420.34933	0.7
424.91293	0.8
433.14145	0.9
435.15787	7.4
436.16174	1.3
437.13687	3.5
439.14789	1.3
451.15152	7.4
452.15176	0.7
452.31317	0.8
461.13910	1.3
469.10764	0.6
469.16455	4.6
479.14658	21.6
480.14859	3.8
483.17633	2.4
493.16266	1.7
511.17294	100.0
512.17615	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.9
61.98731	0.3
63.40665	0.2
70.37211	0.2
78.95796	10.4
86.63628	0.2
96.85113	0.2
96.95924	0.3
96.96875	0.8
98.19741	0.4
105.01818	0.2
115.66965	0.2
124.46049	0.2
152.99529	16.0
153.99883	0.2
171.00609	1.3
227.03236	2.7
245.04335	1.5
255.47810	0.2
261.22348	0.5
279.23352	100.0
280.23712	12.1
281.19717	0.2
281.24945	1.7
282.25256	3.3
283.25592	0.2
322.28845	0.2
410.16666	0.2
507.27325	34.8
508.27716	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	507.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.4
71.60139	0.7
72.78591	0.4
73.81437	0.3
78.95795	12.2
94.65496	0.4
96.95886	0.6
96.96838	1.0
112.85413	0.4
129.13358	0.3
152.99525	16.9
171.00615	1.4
227.03299	2.2
245.04219	1.8
268.72250	0.4
279.23346	100.0
280.23691	10.6
282.25159	0.6
297.21768	0.5
507.27350	37.5
508.27631	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	507.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34128	0.2
59.01264	100.0
60.01604	1.3
71.01270	17.3
71.50104	0.3
72.01625	0.4
78.95795	1.5
83.51056	0.2
85.02881	0.4
96.95931	0.4
113.02375	0.4
152.99532	1.4
161.04573	0.3
171.00648	0.3
173.04565	0.3
196.42741	0.2
201.50362	0.2
223.20744	0.3
225.22243	5.0
226.22589	0.4
245.04393	1.6
264.09549	0.2
271.22824	16.0
272.23245	1.5
279.23447	0.8
280.02203	0.3
325.23923	5.1
325.27551	0.4
326.24435	0.4
414.73743	0.2
415.27148	1.3
429.20844	0.2
507.27942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20710	0.8
55.24728	0.7
57.03334	5.7
57.96557	0.7
58.00471	1.9
59.01263	100.0
60.01577	1.7
60.11415	0.8
61.98697	0.8
62.82724	0.9
69.03336	2.1
71.01270	24.8
71.57818	1.2
72.99203	1.0
73.02834	23.2
75.00740	0.9
81.03351	1.4
83.01262	5.9
85.02837	6.3
87.00765	1.5
89.02345	7.4
93.03353	2.0
94.45368	0.7
94.59990	0.7
95.01331	0.9
99.04443	1.9
101.02342	26.4
113.02360	15.2
115.03895	1.0
119.03407	3.9
125.08745	1.4
125.09640	27.6
126.10046	1.0
131.03398	3.2
143.03407	2.9
149.04488	4.6
149.09642	6.3
155.03508	0.8
161.04521	10.0
167.10716	13.5
173.04518	3.7
179.05559	1.4
191.05582	1.9
207.13875	2.3
221.06665	1.9
225.14967	16.6
227.37393	0.8
243.15895	1.1
345.15555	5.8
359.75671	0.8
370.78357	0.9
387.12338	0.8
387.20337	23.0
388.20584	2.4
405.21359	4.1
419.19431	1.0
425.86267	0.8
431.54480	0.9
439.93073	0.8
447.22409	25.0
448.22528	4.1
461.05795	1.0
463.21683	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92611	0.3
57.03341	0.9
59.01265	100.0
59.97517	0.3
60.01604	1.1
66.45979	0.3
69.03353	0.5
69.69569	2.4
71.01271	7.4
72.99200	0.5
73.02834	5.6
74.04906	0.4
75.00780	1.2
77.72500	0.4
83.01280	1.8
83.28503	0.3
85.02838	2.2
87.00795	0.5
89.02344	3.1
95.01302	0.6
96.95974	0.3
98.19765	0.3
99.00753	0.6
99.04458	0.4
101.02343	7.7
105.13821	0.3
109.02908	0.4
113.02345	4.3
118.97980	0.3
119.03423	1.7
125.02406	0.8
131.03433	0.6
134.36259	0.3
135.04486	0.5
143.03482	1.4
149.04515	1.1
157.54343	0.3
161.04482	3.2
173.04530	1.1
179.05556	0.9
179.94623	0.3
185.00929	0.4
191.05615	0.7
203.05588	0.4
221.06778	1.1
285.17169	0.7
313.16812	1.1
331.17984	0.4
344.37015	0.3
363.16672	0.6
373.18805	1.0
387.20325	2.7
405.21725	1.6
419.19559	1.1
447.22458	11.3
448.22821	1.3
463.22015	0.9
473.78369	0.4
507.12506	0.7
507.23874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.4
57.03329	3.7
58.00479	1.9
58.22392	1.2
59.01265	45.6
61.98709	2.9
63.64059	0.9
69.03327	1.8
70.78574	2.0
71.01270	66.3
72.01582	1.1
72.78724	1.1
72.99189	4.1
73.02842	14.9
74.02356	2.2
75.00744	1.4
78.95785	1.1
83.01278	6.0
85.02843	21.2
87.00762	3.0
89.02339	22.6
93.03363	5.6
95.01286	4.2
97.02843	1.9
99.00780	10.6
101.02351	33.4
102.02675	0.9
109.02831	1.1
111.04417	1.4
113.02359	21.9
115.03944	1.7
119.03409	8.6
121.02876	1.4
125.02335	2.9
129.01884	1.1
131.03419	1.6
134.03624	1.9
135.04436	3.7
137.02356	1.9
143.03416	2.2
149.04506	2.0
158.03661	2.3
159.02979	2.5
159.04372	1.7
161.02422	1.8
161.04497	12.9
161.05832	1.4
170.54338	1.0
172.05243	2.7
173.04504	18.1
173.05986	5.6
173.09570	1.0
174.03232	0.9
174.04771	1.2
174.06812	1.7
179.03442	1.9
179.05528	1.8
186.06783	1.1
187.03983	5.0
187.07628	7.3
191.05565	5.1
193.96895	1.1
200.04767	3.0
200.11162	0.9
201.05574	11.5
201.09254	4.4
202.06297	13.2
203.07030	3.5
205.58670	1.2
226.09991	1.4
227.10588	1.4
229.08713	30.0
230.09457	27.7
231.09979	3.9
233.06688	1.0
255.13910	1.8
299.16565	2.4
315.18198	13.2
316.18436	1.7
327.15793	1.6
333.13043	1.3
363.20459	2.3
405.20868	1.4
409.15192	8.1
410.15805	18.1
411.16449	2.6
435.20569	4.9
436.20599	1.6
447.22446	100.0
448.22836	11.9
448.40616	1.1
463.25571	2.6
479.22995	8.6
489.21609	1.8
507.11316	1.3
507.22510	18.2
507.30353	1.5
508.22476	4.7
508.30615	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30680	0.8
55.01783	1.2
57.03330	2.2
58.00468	2.3
58.52069	0.6
59.01266	64.9
60.16764	0.7
61.98695	1.5
67.01773	1.6
69.03341	1.1
71.01272	44.6
71.07835	1.9
72.99191	3.1
73.02845	3.4
76.84925	0.7
78.95795	5.9
83.01284	3.1
85.02840	10.2
87.00768	3.8
89.02336	40.2
90.02675	1.3
93.03363	5.2
95.01288	2.9
97.06493	1.9
99.00777	3.2
101.02345	26.4
101.03013	1.4
109.02843	1.1
111.04404	1.7
113.02366	14.1
119.03417	15.8
121.02850	1.1
125.02299	0.8
130.04131	1.1
131.03407	1.3
133.02887	0.9
134.03664	1.3
135.04422	5.2
137.02377	1.8
143.03447	2.8
143.05022	1.0
144.05859	0.9
145.02866	2.0
145.06522	2.5
146.03612	1.3
147.04430	1.4
149.04445	0.9
152.99588	1.3
155.03412	0.7
155.04897	1.1
157.06537	0.9
158.03683	6.7
158.07341	2.1
159.04506	5.1
159.08112	2.3
161.02396	0.7
161.04483	2.9
161.05888	0.9
171.04507	1.6
172.05249	10.9
173.04507	18.0
173.06023	12.7
173.09651	4.5
174.03340	3.5
174.04752	1.5
174.06749	4.5
175.03938	0.9
175.07579	3.6
178.02660	0.9
179.03424	2.4
179.05554	7.0
183.04463	1.3
183.06229	0.7
185.06026	1.9
186.06834	5.5
187.03993	11.8
187.07602	25.3
188.04567	0.7
188.08128	2.9
191.05568	10.0
200.04762	10.5
200.08499	1.6
201.05551	55.9
201.09164	19.5
202.06323	39.0
202.09529	1.5
203.07065	9.6
205.08667	1.1
211.07690	1.4
214.06305	2.5
215.07123	3.7
219.02798	1.0
225.62590	0.8
228.07875	3.6
229.08713	95.4
230.09468	100.0
231.09929	10.9
246.09004	0.8
249.11464	1.3
327.15964	1.2
333.13458	1.0
345.29956	0.8
388.31674	0.7
391.14078	1.3
406.94180	0.8
409.09515	0.8
409.15137	29.9
410.15878	66.1
411.16333	10.3
507.24783	2.7
507.35492	6.7
508.26978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32943	0.4
57.03062	0.4
59.01268	8.6
69.03339	1.4
69.48628	0.3
69.74445	0.9
69.74849	1.2
71.01279	2.4
72.99203	1.1
73.02831	1.5
74.98981	0.5
75.00763	3.4
78.95795	0.5
83.01284	0.6
85.02865	0.5
87.00772	17.0
88.01131	0.5
88.98695	2.7
89.02343	1.0
92.93208	0.4
93.03364	0.5
97.02869	0.5
98.20504	0.6
99.00792	2.3
101.02346	2.3
105.01845	19.0
105.75794	0.4
113.02348	0.7
117.01870	1.0
119.03419	0.5
123.04436	0.4
128.76729	0.3
130.81960	0.4
132.97166	0.3
135.02885	0.6
141.01779	0.5
147.02899	3.2
153.05551	0.7
159.06584	0.7
161.04567	0.7
164.91724	1.9
165.03999	100.0
166.04303	2.5
173.04520	0.9
174.59361	0.4
180.37944	0.3
185.00841	0.9
191.05563	0.9
263.64737	0.4
387.20172	0.5
507.13220	1.5
508.12878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61098	1.0
55.54707	1.4
55.94041	1.2
57.03325	2.1
58.00470	3.2
59.01265	63.4
61.98711	5.1
67.01772	1.7
69.03341	1.8
71.01272	48.0
71.58527	2.1
72.99202	3.6
73.02828	3.9
78.95799	6.7
83.01271	2.4
85.02834	12.8
87.00761	3.9
89.02335	36.5
93.03355	11.9
93.20312	1.1
95.01295	4.5
95.07186	1.2
97.02816	1.8
99.00780	2.5
101.02349	29.8
111.04418	2.3
113.02357	19.7
119.03413	15.5
131.03476	1.4
134.03665	3.1
135.04445	6.9
137.02400	2.5
140.01134	1.1
143.03467	2.6
143.52403	1.1
145.02864	1.5
145.06512	2.9
146.03641	1.9
152.99512	1.5
155.03432	4.5
158.03697	5.7
158.07269	1.9
159.04416	4.3
159.08057	4.9
161.04482	4.1
171.04482	1.7
171.10156	1.5
172.05232	10.9
173.04500	39.9
173.06023	15.8
173.09700	3.9
174.03195	3.3
174.04800	2.1
174.06818	5.5
175.03940	2.4
175.07568	4.8
178.02655	2.6
179.03467	4.7
179.05569	5.4
185.06062	1.5
186.06837	4.3
187.03976	7.6
187.07607	27.4
188.08005	2.0
191.05585	11.2
200.04678	5.9
200.69827	1.1
201.05551	60.6
201.09164	17.8
202.06290	26.4
202.09654	2.6
203.07118	7.6
205.08659	2.7
211.07585	1.8
214.06308	2.4
215.07074	3.8
228.07822	1.8
229.08711	79.9
230.09476	100.0
231.09892	12.3
290.97330	1.2
291.19717	1.7
293.21176	3.1
305.59109	1.3
309.20755	13.4
310.21249	1.7
311.22202	6.1
345.30072	3.3
409.15088	18.3
410.15872	75.1
411.16177	11.8
421.95850	1.2
507.23502	3.5
507.35553	22.8
508.26907	11.1
508.34793	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41033	0.4
51.76328	0.5
54.68793	0.5
54.97897	0.5
57.34549	0.5
59.01256	3.3
78.95794	29.3
83.04910	0.6
96.96872	2.0
97.37882	0.5
98.19779	1.3
106.75068	0.5
115.08932	0.5
123.57932	0.4
129.44745	0.5
142.31078	0.5
150.97974	1.1
152.99524	45.3
153.99915	1.2
171.00607	3.0
201.62094	0.4
227.03247	6.0
245.04384	5.9
259.20694	0.9
277.21780	100.0
278.22119	11.7
278.25012	0.9
279.23303	1.3
280.23682	1.9
318.83594	0.6
413.21094	1.3
418.64771	0.5
420.18024	0.5
505.25830	76.5
506.26102	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	505.3185
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
55.89878	0.5
57.03339	8.3
59.01267	4.8
60.99209	0.5
61.98719	1.0
68.93013	0.5
69.03345	3.3
70.72585	0.5
71.01267	2.1
73.02825	0.8
77.33684	0.4
78.95784	1.1
80.02578	0.6
81.30762	0.4
83.04898	0.4
85.02853	1.9
85.48607	0.5
87.00733	0.5
93.03360	2.9
101.02344	1.6
107.04935	3.6
109.06499	50.4
110.06849	2.4
113.02359	1.0
121.02847	0.8
135.04420	0.9
137.02335	0.6
145.02821	0.5
161.04561	0.6
166.11185	0.4
173.04504	4.5
191.05544	2.9
201.21880	0.5
209.11763	0.8
226.11479	0.5
271.02679	0.8
311.23712	0.9
313.25421	6.5
314.25806	0.7
320.09961	0.5
327.27203	2.6
329.25037	0.9
339.26904	0.5
341.28561	4.6
342.28784	1.0
355.30078	1.4
357.28238	2.0
367.26480	2.3
369.24600	0.5
389.30713	9.7
390.30789	1.5
443.27469	0.4
443.31866	4.3
444.31839	1.0
461.32840	35.4
462.33200	5.7
505.31839	100.0
506.25439	0.7
506.32190	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	505.2586
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01266	1.4
59.40393	0.2
69.31154	0.4
69.89505	0.2
74.57961	0.2
78.95792	11.0
83.04851	0.3
96.96856	0.8
128.69649	0.2
139.29147	0.3
139.80426	0.2
145.83620	0.2
150.40352	0.2
152.99525	18.3
153.99852	0.3
171.00558	1.7
205.19649	0.3
206.40965	0.2
227.03282	2.7
227.83611	0.3
229.78012	0.3
233.22758	0.7
245.04340	1.9
248.07927	0.2
259.20746	0.6
275.20187	0.6
275.51517	0.2
277.21771	100.0
278.22119	12.1
279.23294	1.8
280.23672	3.2
350.21881	0.3
505.25821	37.7
506.26114	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	505.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76030	0.2
57.03337	0.7
59.01265	100.0
60.01595	1.3
64.02692	0.2
70.60586	0.7
71.01274	2.2
73.02837	2.0
82.78979	0.2
83.01287	0.8
85.02859	0.5
87.00772	0.2
89.02351	0.8
90.68627	0.2
101.02349	2.9
107.12836	0.2
112.04818	0.2
113.02351	1.7
119.03410	0.6
123.08091	0.2
127.27203	0.2
139.87961	0.2
143.03453	0.3
149.04544	0.6
152.03078	0.2
157.10207	0.2
161.04506	1.5
165.09305	0.2
175.11270	1.1
179.05565	0.3
185.04517	0.2
203.05623	0.5
205.12378	0.6
223.13414	3.3
224.13707	0.3
241.14613	0.4
323.66379	0.2
385.18942	0.7
403.20001	0.4
445.20905	3.0
446.21390	0.5
505.23209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53435	0.4
57.03329	0.7
58.02888	0.4
59.01265	100.0
60.01596	1.8
69.03358	0.7
69.23253	2.5
69.23676	2.1
71.01272	14.9
72.01628	0.7
72.99236	0.8
73.02834	11.8
73.98219	0.5
75.00789	0.5
83.01282	3.7
83.04913	0.5
85.02840	3.3
87.00780	0.7
89.02331	4.7
89.02739	0.4
91.45495	0.4
93.03383	0.7
95.01303	0.9
95.04971	0.5
96.95921	1.3
97.02882	0.5
98.02367	0.9
98.95491	0.6
99.00810	1.0
101.02343	13.1
102.01875	0.5
109.95432	0.4
113.02351	8.1
117.97246	1.4
119.03410	2.7
123.08094	0.9
125.02390	0.6
125.74365	0.4
131.03442	0.9
131.26476	0.4
132.79326	0.5
136.94931	0.5
137.65465	0.4
143.03462	1.3
145.80611	0.4
149.04451	2.0
161.04488	4.8
161.09695	0.9
162.04956	0.4
173.04474	0.6
175.11296	0.8
179.05611	1.6
179.10664	0.7
181.12367	0.8
191.05692	0.5
193.12329	0.8
195.13998	0.5
203.05707	1.2
205.12360	1.8
211.13467	1.0
221.06746	1.0
223.13455	5.6
224.13834	0.6
229.21512	0.4
241.14467	7.9
241.16673	0.6
242.14935	0.5
273.14249	0.4
327.58728	0.4
343.08591	2.4
385.18759	3.3
386.19183	0.6
403.19901	1.4
445.20956	4.2
446.20901	0.6
505.14249	1.5
512.47607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13170	0.3
57.03334	4.2
59.01265	100.0
60.01608	1.2
69.03317	0.5
71.01268	9.3
71.57551	0.6
72.99245	0.3
73.02840	6.7
83.01271	2.0
83.17922	0.3
85.02840	2.5
87.00779	0.4
89.02328	3.3
95.01296	0.7
97.02815	0.5
97.06522	0.7
99.00782	0.7
99.04441	0.4
101.02341	8.7
113.02347	7.0
113.03059	0.5
113.06017	1.3
119.03462	1.4
135.08086	0.5
137.09663	1.2
139.07568	2.2
143.03430	1.6
149.04530	1.2
153.09180	2.1
161.04509	7.5
161.09676	0.7
163.11278	1.4
165.09212	1.6
167.47833	0.3
173.04646	0.5
175.11220	2.1
176.11751	0.3
179.05594	1.3
179.10809	1.0
187.11288	1.1
193.12407	1.1
203.05629	0.7
205.12349	6.8
206.12798	0.4
208.11076	0.5
211.13635	0.4
221.06714	0.5
223.13409	16.9
224.13811	1.2
241.14491	8.5
242.14873	0.6
298.88809	0.3
367.17810	1.0
385.18781	7.0
385.23499	0.5
386.19443	0.9
403.20004	1.7
445.20837	3.3
446.21533	0.7
462.51840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93628	0.2
59.01266	1.4
71.56781	0.4
78.95819	0.4
110.63801	0.2
121.02873	100.0
122.03197	4.2
147.88922	0.3
149.76443	0.3
152.99477	0.4
160.50969	0.2
180.05774	0.7
181.06537	3.1
197.06052	2.8
207.04446	1.0
207.08150	0.3
223.03909	0.5
225.05627	2.7
245.63393	0.3
251.07143	0.4
257.09787	1.0
295.06219	0.3
301.09030	0.3
313.07248	5.2
314.07483	0.4
357.06253	0.6
361.00046	0.3
373.10764	0.4
383.07684	1.2
417.09882	8.9
418.10306	1.4
433.09326	0.4
461.12558	0.5
505.11526	10.3
506.11792	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	505.1001
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.15101	0.2
54.17862	0.2
59.01259	1.1
63.02288	0.4
65.00209	1.0
69.56879	1.2
71.01285	0.2
82.50815	0.2
83.01283	0.6
91.01803	0.2
93.03333	0.3
101.02377	0.2
107.01299	2.5
108.02090	1.8
109.02867	1.5
119.01304	0.3
121.02864	1.7
123.00794	0.2
124.01627	0.3
125.02385	0.2
134.22983	0.2
135.00815	1.1
139.50439	0.2
148.01604	1.5
149.02313	0.4
151.00311	10.5
152.00752	0.4
153.01910	0.3
159.04414	0.2
159.93716	0.2
163.00320	2.8
163.03914	0.2
164.01093	0.7
169.01350	0.6
171.04459	0.2
172.05267	0.4
174.03198	0.3
175.04045	0.2
178.99843	4.9
180.00157	0.3
183.04459	0.5
187.03964	0.4
188.04713	0.2
190.02748	0.3
190.99896	0.2
192.00543	0.5
199.04002	0.9
201.05568	0.3
202.02596	0.2
203.03435	0.3
211.04016	1.2
215.03485	1.0
216.04309	0.4
226.02679	1.7
227.03494	3.3
228.03967	0.3
229.01471	0.2
229.04990	0.9
239.03522	0.3
240.04305	0.2
243.03017	11.2
244.03477	1.1
245.04550	1.0
254.02263	2.8
255.03023	26.7
256.03400	2.0
271.02533	60.0
272.02982	7.0
272.06058	0.2
273.04105	1.2
283.02484	1.5
284.02856	0.2
299.02023	1.1
300.02808	100.0
301.03503	41.6
302.03915	2.9
343.04572	0.3
463.08917	2.9
505.09991	62.8
506.10275	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	505.1002
Annotation	Quercetin-3-O-glucose-6''-acetate
Peak:m/z	Relative Intensity
54.80136	0.4
56.80016	0.5
57.03342	2.8
57.54971	0.5
59.01266	15.5
61.98711	0.7
63.02267	0.6
65.00230	1.3
69.03349	1.1
69.79437	1.8
69.79866	1.6
71.01266	5.1
72.38522	0.5
72.99212	0.7
73.02839	2.6
83.01287	1.4
85.02838	1.4
87.00768	0.6
88.98708	1.3
89.02351	2.3
93.03364	2.1
95.01277	0.9
96.95921	1.7
99.00826	0.8
99.04423	2.2
101.02336	2.3
101.05962	0.6
107.01301	2.7
108.02087	1.9
109.02863	1.8
113.02357	1.5
119.03471	0.6
120.01200	1.3
121.02882	2.9
122.03609	0.8
123.00690	0.8
123.04441	0.8
125.02380	1.7
134.03658	0.6
135.00830	0.8
135.04376	0.9
137.02353	0.8
145.06508	1.4
148.01595	1.9
149.02391	2.7
150.03185	3.5
151.00328	10.1
152.01074	0.6
153.01846	0.9
153.05455	0.5
159.04333	0.6
161.04515	1.6
163.00336	3.1
164.01163	0.7
165.05521	4.7
169.01460	0.9
173.04541	3.2
175.03938	1.2
176.03424	1.2
177.01787	0.5
178.99821	4.8
179.03337	0.8
183.04517	0.7
191.05476	1.2
193.05139	0.6
195.06645	2.5
199.04010	1.6
201.01712	0.5
203.10681	0.6
209.11806	1.4
211.03819	0.8
215.03473	0.8
216.04182	1.4
221.11806	1.5
226.02716	4.2
227.03482	4.3
229.05017	0.6
243.03032	18.3
244.03433	1.5
245.04552	1.0
254.02258	4.7
255.03023	26.8
256.03430	2.0
265.05542	1.1
271.02542	82.2
272.03000	9.9
273.04044	1.1
283.02493	0.8
299.02011	1.5
300.02814	100.0
301.03519	42.6
302.04126	3.5
327.08740	0.5
327.85458	0.6
343.04633	1.1
351.12793	0.6
361.18814	1.0
385.11298	1.6
387.24170	1.6
445.20828	1.3
463.08765	2.1
464.08987	0.8
505.09961	99.1
505.25897	2.1
506.10303	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	503.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83511	0.4
57.57258	0.4
59.01257	0.8
59.90157	0.5
63.35270	0.5
68.59762	0.5
69.57345	3.5
78.03616	0.5
78.95792	45.9
80.48911	0.5
96.96844	4.2
97.06496	0.4
120.79584	0.5
150.98015	0.6
152.99524	62.0
153.99878	0.8
171.00591	18.5
171.02100	1.0
227.03337	2.9
231.21178	28.4
232.21573	2.1
245.04340	100.0
246.04695	3.6
259.88644	0.6
275.20206	44.1
276.20496	4.5
278.52728	0.5
358.73486	0.6
449.41559	0.5
503.24234	38.8
504.24643	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	503.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12915	0.6
53.01652	0.5
54.08561	0.5
57.03336	6.3
59.01263	100.0
60.01600	0.6
69.52399	2.7
69.52814	1.9
71.01276	7.5
73.02836	7.1
77.41550	0.7
83.01291	1.9
85.02849	2.5
87.00779	0.9
89.02337	2.3
95.01319	0.7
95.08450	0.6
96.95933	1.3
99.04414	0.9
101.02337	7.1
109.06513	1.2
113.02367	2.8
119.03442	1.1
121.06512	1.7
123.08068	1.3
137.06000	0.8
139.07570	6.7
147.08141	1.9
149.04594	0.7
149.09654	0.7
151.07584	7.8
152.08070	0.7
153.09143	1.0
161.04541	2.2
161.09741	0.9
165.09212	2.9
170.07347	1.8
175.11218	0.9
177.43359	0.7
179.10794	2.0
191.10730	3.7
193.12373	1.3
203.05588	3.2
203.10771	3.2
209.11813	34.0
210.12222	2.5
221.06709	0.7
221.11823	21.3
222.12155	1.5
237.11603	1.1
239.12920	3.8
353.16217	2.5
354.16815	0.9
383.17206	1.4
413.18399	1.8
443.19235	3.4
459.18753	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	503.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75656	0.5
57.03341	1.7
58.00462	0.7
59.01264	100.0
60.01603	1.3
69.82346	1.3
69.82751	1.5
71.01270	11.5
72.99200	1.0
73.02831	7.4
75.00763	0.8
76.26424	0.5
83.01288	2.0
85.02845	4.6
87.00785	1.1
87.38889	0.5
89.02341	3.8
95.01329	0.8
99.00801	1.9
101.02345	7.6
113.02354	8.9
116.92796	1.7
119.03402	1.1
125.02366	0.8
131.03487	0.7
135.04460	0.8
139.07581	1.5
143.03470	1.2
143.62666	0.4
149.04509	1.1
151.07619	1.3
154.10002	0.4
161.04489	6.0
161.09776	0.5
163.07637	0.5
165.09174	0.7
171.42688	0.5
173.04477	0.6
175.11234	1.3
177.09216	0.6
179.05585	0.8
191.05685	0.7
191.10777	1.6
193.12386	1.0
202.41019	0.5
203.05623	0.9
203.10732	2.9
209.11937	1.6
221.06580	0.7
221.11832	7.2
237.11307	0.8
239.12921	14.2
278.69235	0.5
281.14169	0.7
383.17203	20.6
383.22070	1.1
384.17657	3.2
401.18295	8.0
402.18988	0.7
443.19299	13.2
444.19724	2.2
459.19000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86953	0.4
56.58969	0.5
57.03334	0.7
59.01263	100.0
59.45726	0.4
60.01610	0.9
71.01274	3.1
71.11432	0.7
71.11761	0.7
73.02835	5.2
74.06557	0.4
74.50470	0.4
83.01283	1.1
85.02852	0.8
87.00817	0.4
89.02314	0.7
92.99089	0.4
99.00776	0.9
101.02369	3.3
108.37576	0.4
113.02378	1.5
119.03424	0.8
125.02425	0.5
137.09645	0.8
143.03433	0.7
147.08099	2.3
149.04504	0.6
149.09698	1.1
151.07623	0.9
157.10199	1.0
161.04570	1.8
161.09726	1.4
163.07639	0.7
165.09175	7.4
166.09523	0.5
167.10750	1.2
170.07314	2.8
175.11169	0.6
177.09204	0.6
179.10800	1.8
181.08687	0.9
185.09647	0.5
188.08440	0.8
193.12366	0.8
203.05663	0.7
203.10751	6.8
209.11829	2.8
219.10313	0.9
221.11827	42.4
222.12167	3.9
239.12996	1.4
277.09280	0.5
291.10840	0.6
368.10370	0.4
383.17151	2.8
425.18518	0.7
443.19315	3.7
458.95889	0.5
459.19159	1.8
460.19235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97731	1.0
55.01762	1.4
57.03336	4.7
59.01263	100.0
60.01581	1.2
61.98708	4.9
69.03343	7.7
71.01273	16.2
71.58778	1.9
71.81388	1.2
72.99176	1.9
73.02831	14.1
74.02352	2.1
75.00795	1.0
78.95367	1.7
78.95796	15.7
79.03604	1.1
83.01318	2.0
85.02847	4.6
87.00775	2.8
89.02332	10.3
93.03352	3.5
95.01270	1.4
96.95912	1.2
96.96863	7.9
97.02845	1.7
99.00770	5.4
99.04398	2.6
101.02356	7.5
101.68422	1.1
113.02342	7.2
119.03410	4.1
125.02370	1.6
133.02888	1.3
135.04420	1.8
141.01834	1.5
143.03403	1.7
159.02998	1.3
161.04501	5.0
163.11227	2.0
168.70355	1.3
173.04530	7.1
179.03462	1.2
179.05527	1.8
185.00871	5.8
187.11255	2.1
191.05594	2.7
205.12331	5.5
207.10207	2.5
219.60280	1.1
281.14020	33.9
282.14294	3.1
305.13992	5.4
317.19800	4.3
371.20593	1.1
459.22928	1.9
503.27728	14.8
504.23895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	2.5
58.00494	1.1
58.06327	0.5
59.01265	100.0
60.01613	1.5
61.01685	0.5
61.98717	1.1
69.03358	1.3
69.94521	0.6
70.97261	0.9
70.97576	0.8
71.01270	18.7
72.99216	2.0
73.02838	18.4
75.00784	1.0
78.95808	1.1
83.01278	6.1
83.04949	0.8
85.02840	5.6
85.06497	0.6
87.00755	1.1
87.58894	0.6
89.02327	5.8
93.03370	0.6
95.01317	0.8
96.95944	0.8
99.00805	1.8
99.04425	0.9
100.86280	0.6
101.02349	15.0
109.06537	0.6
111.04460	1.2
111.08090	2.1
111.28841	0.5
112.08413	0.5
113.02350	10.1
116.92780	1.5
119.03439	2.0
123.08030	0.6
125.02396	1.2
125.09649	1.7
131.03467	0.9
139.07578	0.7
143.03445	1.5
149.04527	0.7
151.07629	1.0
152.25714	0.6
155.03410	0.7
161.04498	4.3
161.09718	0.7
163.07643	0.8
165.09212	0.8
173.04483	1.4
175.11276	1.3
177.09227	0.9
178.09863	0.7
179.05588	0.9
179.10757	0.9
187.09753	1.1
191.05632	1.4
191.10820	2.0
193.05255	0.6
193.12340	9.1
194.12683	0.8
203.05659	1.0
203.10797	2.4
209.11913	1.2
211.13406	2.3
219.10312	0.9
221.06778	1.1
221.11823	7.3
222.12233	0.8
237.11319	14.5
238.11684	0.9
239.12903	8.5
241.01190	0.6
273.45810	0.6
319.39990	0.6
355.17944	0.7
373.18924	2.0
383.17197	10.4
384.17621	2.0
399.17004	0.8
401.18234	4.2
402.18591	0.9
415.19717	3.5
416.20148	0.7
417.17801	3.4
443.19284	9.4
444.19684	0.9
459.18826	35.6
460.19165	5.1
503.16153	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67769	0.3
55.01767	0.5
57.03332	1.7
58.00483	0.6
59.01263	100.0
60.01605	1.1
60.08524	0.4
60.99191	0.4
61.98711	1.8
68.99692	0.3
69.03354	0.6
70.91755	1.0
71.01270	11.0
72.99224	0.5
73.02834	12.6
74.02368	0.6
75.00777	0.6
83.01276	3.7
85.02840	2.2
87.00791	0.5
89.02335	3.9
95.01287	0.8
96.44402	0.3
96.95953	0.6
97.02894	0.6
99.00793	1.0
99.04478	0.5
99.67771	0.4
101.02345	11.7
113.02357	4.7
113.30125	0.4
116.03467	0.9
119.03436	1.2
123.08115	0.6
125.02344	1.0
127.03933	0.8
131.03479	0.7
134.03676	0.4
135.04460	0.4
139.07658	0.5
143.03459	1.7
149.04512	1.4
151.05443	0.4
151.07623	0.7
161.04538	3.3
165.09206	0.9
173.04501	0.8
175.11215	2.3
176.28743	0.3
179.05556	0.6
181.08720	0.4
191.05640	0.5
191.10783	0.6
193.12367	1.8
203.05544	0.9
203.10719	1.9
209.11784	3.0
211.13423	0.4
219.10252	0.7
221.06747	0.5
221.11830	8.2
237.11400	1.7
239.12863	0.9
383.17340	2.3
399.16644	0.7
413.18610	0.5
417.17633	0.7
443.19412	1.0
459.18878	12.6
460.19293	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.4
55.96880	0.4
57.03342	2.5
59.01267	15.9
64.79375	0.4
67.01777	0.7
68.99701	1.1
69.03330	1.0
71.01272	17.1
72.99205	3.8
73.02830	1.4
75.00362	0.8
75.00768	15.3
78.95816	0.5
81.03356	0.4
85.02840	19.6
85.83723	0.5
86.03168	0.5
87.00768	6.4
89.02326	4.7
91.03918	0.6
91.05428	10.6
91.05957	0.8
92.05754	0.5
93.03355	0.8
95.01283	5.4
99.00788	8.4
99.01427	0.6
101.02348	0.9
103.00255	2.7
113.02361	32.1
114.02711	0.7
115.00279	1.7
117.01909	2.7
117.03378	9.5
126.16171	0.4
129.01862	1.8
133.02873	0.4
135.04460	9.1
149.04480	0.8
157.01360	1.1
162.54956	0.4
173.04459	0.9
175.02423	1.9
193.03529	1.6
205.07173	1.6
207.05124	1.4
220.82089	0.4
223.08270	0.7
230.07352	0.6
231.05130	1.6
249.06194	20.3
250.06505	1.1
267.07269	74.2
268.07544	3.8
308.03134	0.5
367.10416	0.7
385.11487	100.0
386.11804	10.2
397.26309	0.4
503.15579	8.8
504.16135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2953
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
52.94550	0.1
53.97586	0.1
59.01265	1.5
62.96284	0.1
66.62142	0.1
69.29610	0.2
71.01257	0.3
77.26744	0.1
78.95792	27.8
81.03384	0.1
81.03964	0.1
83.04917	0.2
96.96838	0.4
97.06505	0.1
99.04457	0.1
102.96478	0.1
104.97384	0.1
113.06009	0.1
122.98457	0.2
127.07568	0.3
134.98456	0.2
152.99524	4.3
168.04259	4.2
169.04610	0.1
171.00571	0.3
194.05870	0.2
205.19649	0.2
224.06934	11.2
225.07294	0.5
231.21167	0.3
233.22728	0.4
242.08009	2.7
243.08322	0.2
245.04309	1.4
259.20615	0.6
260.21164	0.1
267.56851	0.1
275.20190	1.0
277.21768	100.0
278.22113	10.5
278.25351	0.1
410.49820	0.1
413.20911	0.1
439.53595	0.1
502.29501	34.0
503.29977	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	502.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54317	0.0
59.01268	1.1
59.98399	0.0
60.31256	0.0
63.46371	0.0
70.09734	0.0
70.72733	0.0
70.73080	0.1
71.01262	0.3
72.40269	0.0
73.57425	0.0
73.76489	0.0
78.95795	7.1
83.04921	0.2
83.10413	0.0
96.96871	0.1
97.06476	0.1
99.04398	0.1
100.34228	0.0
102.38224	0.0
113.06012	0.1
127.07592	0.2
140.79532	0.0
141.09213	0.1
152.99518	0.7
168.04262	1.9
169.04646	0.0
171.00610	0.1
197.11855	0.1
203.17842	0.0
205.00684	0.0
205.19592	0.1
214.12117	0.0
224.06932	1.3
225.07278	0.0
233.15553	0.0
233.22800	0.4
234.23099	0.1
242.08020	3.3
243.08350	0.1
257.18912	0.0
259.20697	0.5
260.21262	0.0
275.20215	0.4
277.21777	100.0
278.22110	10.0
319.31805	0.0
502.29526	11.0
503.29877	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	501.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	3.0
59.01262	1.8
61.98746	0.3
67.01779	0.5
69.03344	100.0
70.03680	2.4
70.16659	1.0
71.01287	1.5
72.99191	1.6
74.24479	0.3
79.01766	1.4
82.82887	0.3
83.01329	0.4
85.02853	1.2
95.01283	2.3
96.95872	0.3
97.02853	19.6
98.03181	0.6
99.00780	24.7
100.01166	0.4
101.02356	0.6
102.44008	0.2
107.46062	0.3
111.00834	0.3
113.02359	0.7
122.82439	0.2
123.00783	0.6
141.01869	6.7
170.51718	0.3
173.04555	0.4
177.59134	0.3
185.00888	89.3
186.01213	3.9
209.90659	0.3
247.13406	0.8
253.09338	0.4
265.18207	1.0
289.05026	0.5
315.25470	6.1
316.25760	0.5
340.52878	0.3
411.68762	0.3
446.10226	0.3
501.27203	23.7
502.27591	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	501.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.9
57.03340	0.7
57.98828	0.6
59.01265	100.0
60.01604	1.5
64.84014	0.5
69.03344	28.9
69.35414	5.1
69.35839	1.8
71.01273	9.2
72.99207	1.7
73.02835	1.2
78.95811	2.1
79.01802	2.4
80.93131	0.7
83.01295	0.8
85.02863	2.7
87.00771	1.0
89.02360	1.5
95.01281	4.7
97.02852	40.3
98.03216	1.0
98.19707	1.0
99.00786	5.8
101.02367	2.7
109.06500	1.3
111.00797	1.6
111.63972	0.7
113.02349	1.6
115.00327	0.8
117.03439	0.8
123.00824	2.5
132.02097	8.9
133.02917	3.7
134.03680	10.8
139.02026	0.7
141.01871	56.6
142.02234	2.4
149.06047	2.1
158.03705	2.4
160.01607	41.7
161.02019	1.8
173.04622	1.0
173.06090	2.3
175.03964	40.8
176.04353	2.4
177.01848	0.9
185.00879	23.8
185.02477	1.2
185.85400	0.7
186.01393	0.8
188.03062	0.6
193.05028	10.7
194.05396	0.7
201.01971	2.4
202.02698	2.7
203.01895	4.8
203.14511	0.9
217.05043	9.6
218.05455	0.9
247.13470	2.7
253.09492	0.9
259.95078	0.7
265.14529	2.9
275.52405	0.6
297.24533	1.6
298.24841	0.7
313.23953	2.7
315.25461	70.6
316.25812	8.1
399.23822	0.9
432.17673	0.7
441.15643	0.7
459.16769	0.7
501.18073	24.4
501.27328	52.6
502.18616	4.7
502.27454	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65438	0.5
57.03320	0.8
59.01266	100.0
60.01606	1.4
61.98719	0.8
67.01785	1.5
68.99713	0.6
69.03346	2.6
71.01273	4.8
71.20794	1.0
72.99203	0.8
73.02847	2.2
75.00762	0.8
83.01281	0.8
83.04908	0.5
85.02856	1.7
87.00773	0.9
88.98714	0.7
89.02344	1.2
90.53880	0.4
93.03355	8.8
94.03709	0.6
96.95941	0.9
97.02848	0.7
99.00781	3.0
99.04424	0.8
101.02337	2.3
108.02077	1.1
109.02850	0.9
111.04443	2.1
113.02330	2.2
115.03912	0.4
121.02894	0.6
123.04461	1.3
125.02370	0.5
134.03702	1.0
135.04471	1.3
137.02409	1.6
141.01886	0.5
152.01135	1.5
153.01816	0.7
155.03487	1.7
161.02431	0.8
161.04494	1.2
173.04514	35.7
174.04855	1.8
175.05051	1.3
179.03540	0.6
185.00864	2.4
187.07742	0.5
191.05571	4.4
191.06821	0.4
192.05978	0.8
202.31741	0.4
211.07626	1.1
249.09312	1.0
251.09888	0.5
265.14496	0.5
275.07199	0.7
277.07806	1.0
283.05966	0.6
284.09302	3.0
299.01917	0.5
328.08347	3.9
338.37167	0.5
389.88055	0.5
457.17484	1.3
501.20016	3.4
502.13742	1.9
502.20642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70346	0.2
57.03349	0.6
59.01266	100.0
60.01611	1.2
61.98722	0.5
66.00778	0.2
67.01781	0.9
68.99718	0.8
69.03342	1.5
69.23421	0.9
69.23843	2.3
71.01274	3.2
72.99213	0.8
73.02849	1.7
74.71534	0.3
74.71988	0.3
75.00755	0.6
81.03371	0.4
83.01286	0.6
85.02858	1.7
87.00791	0.7
89.02375	1.2
93.03350	4.9
95.01302	0.7
96.95934	0.7
97.02830	0.5
99.00787	2.7
99.04428	0.5
101.02344	1.9
108.02096	0.5
109.02872	0.5
111.00782	0.3
111.04449	1.2
113.02364	1.1
115.04024	0.3
117.01945	0.3
119.04897	0.3
121.02957	0.3
123.04523	0.5
125.02426	0.4
128.39375	0.2
129.01855	0.3
133.02899	0.8
134.03726	0.9
135.04488	1.3
136.68317	0.3
137.02411	0.9
141.01958	0.5
150.03203	0.4
152.01070	0.4
155.03448	0.7
161.02425	0.4
161.04550	0.7
163.03949	0.3
173.04515	19.2
174.04890	0.8
177.02028	0.3
179.05606	0.4
185.00917	0.7
191.05592	2.5
191.10829	0.4
192.06038	0.4
210.07042	0.3
211.07587	2.2
221.11853	0.5
237.11356	0.4
271.02505	0.3
284.09415	2.2
299.02219	0.5
328.08392	2.4
385.36554	0.3
441.17456	0.4
457.17517	1.0
501.20026	1.4
502.14038	1.0
528.30725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79447	0.1
57.03322	0.4
59.01265	100.0
60.01604	1.0
61.98708	0.2
69.03343	0.4
69.45242	1.1
71.01269	5.0
72.99205	0.2
73.02837	3.8
75.00768	0.2
83.01274	1.2
85.02842	1.6
85.99043	0.2
86.95050	0.1
87.00773	0.3
89.02335	1.9
93.03381	0.6
93.54280	0.1
95.01306	0.2
96.95906	0.1
97.02877	0.3
99.00788	0.5
99.04398	0.2
101.02346	5.1
108.02057	0.1
113.02362	2.4
114.02695	0.2
119.03432	0.8
121.06551	0.2
122.66683	0.1
123.08035	0.3
125.02365	0.3
131.03441	0.3
135.04498	0.2
139.07468	0.1
143.03456	0.7
149.04523	0.4
149.06035	0.1
151.07674	0.2
157.10167	0.9
157.18123	0.1
160.01617	0.2
160.04018	0.1
161.04515	1.5
171.08099	0.1
173.04547	1.0
173.09711	0.2
175.04025	0.5
175.11317	0.5
179.05582	0.3
185.00919	0.2
191.05569	1.0
191.07062	0.1
191.10739	1.0
193.05090	0.3
193.12329	0.7
201.09212	0.3
203.05649	0.2
209.11911	0.3
219.10312	0.6
221.06729	0.2
235.06259	0.3
237.11354	0.3
295.08447	0.1
327.08914	0.5
337.16647	1.9
338.16943	0.2
355.17731	2.1
356.18185	0.2
364.91159	0.1
371.17444	0.2
397.18750	1.3
441.17676	2.3
442.18198	0.3
457.17230	0.2
501.20560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.6
59.01266	26.3
60.54718	0.9
61.98706	4.0
69.03340	2.7
71.01265	9.8
71.58879	1.0
71.59283	1.1
71.92966	0.9
72.99197	1.8
73.02846	5.0
75.00764	1.9
78.95793	13.2
79.07735	0.9
81.03323	1.0
83.01279	1.4
85.02838	4.4
87.00759	2.6
89.02338	2.2
93.03345	3.6
95.01268	1.9
96.95933	7.6
96.96853	9.4
97.02844	2.2
99.00800	1.8
99.04382	2.1
101.02345	5.8
108.02089	1.2
109.02862	30.6
111.00791	1.7
113.02357	5.2
121.02854	1.4
124.01575	0.9
125.02370	1.2
130.08618	1.8
133.02896	2.0
134.03612	1.2
135.00757	1.0
135.04456	2.4
137.02361	1.9
145.02881	4.9
147.04425	3.9
151.03970	1.0
151.07539	1.3
152.01094	4.9
153.01875	73.4
154.02217	2.9
158.03673	39.6
159.04460	18.1
160.04881	1.2
161.04495	1.0
165.05557	1.6
166.05930	1.0
171.04500	3.1
173.02350	1.9
173.04529	9.5
175.03955	2.8
177.01904	1.6
178.99800	1.5
179.03441	3.2
179.05565	1.2
185.00873	1.8
185.06055	1.6
191.01712	1.1
191.05579	3.3
195.02957	12.0
201.02061	1.1
201.05556	2.8
202.02701	93.8
203.03136	7.3
209.08243	1.1
213.05544	6.4
225.04028	6.3
237.03842	1.0
237.14975	1.0
255.05119	6.8
265.04990	1.0
281.06616	1.7
285.06232	1.3
297.06244	26.4
297.09598	1.4
298.06647	3.5
327.10464	1.0
337.21338	1.1
382.14813	1.0
399.09055	5.4
401.18326	1.3
414.11472	2.9
429.13885	8.9
430.14111	1.6
457.11502	87.3
458.11911	11.6
501.10492	100.0
501.26364	14.3
502.10715	16.0
502.26675	1.4
511.69110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.5
58.00491	0.5
59.01264	100.0
60.01608	1.3
63.01253	0.4
71.01268	4.5
72.99217	0.8
73.02845	1.4
85.02855	1.9
89.02341	1.7
95.01315	0.8
98.20548	1.4
101.02327	3.8
113.02353	6.1
119.03425	2.0
161.04514	2.2
176.29005	0.5
221.06575	1.0
229.57794	0.5
243.50505	0.5
264.41336	0.5
273.22357	0.8
275.20386	0.5
277.21777	87.3
278.22110	8.6
291.23407	4.0
311.64029	0.4
319.00488	0.5
319.22842	2.5
349.23813	0.7
359.21298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.6
55.97720	1.4
57.03325	8.0
59.01265	95.3
61.98708	5.1
67.01759	2.6
68.99708	3.1
69.03322	5.8
71.00901	3.1
71.01268	45.5
71.04906	4.9
71.57966	2.6
72.99202	12.2
73.02831	4.5
75.00762	30.8
78.95779	4.2
83.01266	3.2
85.02845	57.3
85.03365	3.3
85.06468	7.9
85.56635	1.6
87.00758	16.3
87.08056	1.5
89.02336	16.5
91.03910	1.7
91.05428	15.7
93.03358	5.5
95.01295	12.8
96.96877	2.1
97.02808	1.8
99.00771	24.8
101.02342	5.5
103.00272	5.6
111.00755	2.2
113.02359	69.0
113.05984	4.2
114.02700	2.2
115.00272	3.9
117.01842	5.7
117.03374	13.9
121.02893	1.9
129.01860	7.8
131.03438	2.2
131.07072	28.9
135.04468	14.9
137.02397	3.5
139.00279	1.7
139.03963	2.0
148.36028	1.6
149.02333	1.8
155.03429	1.8
157.01439	1.6
161.02379	1.5
161.04466	2.0
167.03506	1.5
173.04500	19.1
173.05876	2.6
175.02448	4.4
185.00826	2.6
191.05597	9.2
193.03529	4.4
205.03619	2.3
205.07091	4.8
207.05119	3.0
231.05222	1.7
234.06905	1.6
237.05670	1.9
247.07568	1.9
249.06206	36.3
249.09157	4.8
250.06482	2.3
261.05615	2.7
267.07272	100.0
268.07504	4.3
275.07153	11.8
277.08704	1.9
293.08185	11.7
381.14099	89.6
382.14597	7.3
385.11505	63.5
386.11731	5.4
455.11188	3.6
499.18329	79.1
499.32809	2.7
500.18655	13.3
522.03986	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	499.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
55.32656	0.7
57.03336	6.4
58.00511	0.9
59.01262	24.0
61.98702	2.3
64.25590	0.6
68.99726	1.3
69.03329	2.3
69.40316	1.3
69.40721	4.6
71.01266	23.2
71.04884	3.9
72.01604	0.6
72.99188	5.9
73.02817	2.7
75.00763	16.8
78.95782	1.5
83.01265	1.9
85.02840	32.2
85.06477	8.8
86.03167	1.0
87.00764	9.4
87.08035	1.4
89.02332	7.3
91.03891	1.6
91.05409	1.5
93.03339	2.1
95.00821	0.6
95.01297	6.1
95.04918	1.1
96.96858	0.8
97.02839	1.5
98.19829	1.1
99.00777	13.1
99.04410	1.2
101.02341	2.1
102.05524	0.8
103.00271	2.7
111.00789	1.7
111.04404	0.9
112.01552	0.7
113.02352	39.0
113.05992	4.3
114.02682	1.1
115.00265	2.5
117.01865	2.4
117.03374	6.4
121.68481	0.6
125.02394	0.6
128.03413	0.7
129.01877	4.6
129.05481	2.2
131.03400	1.2
131.07065	34.0
132.07343	0.9
133.02888	0.7
135.04420	2.6
137.02344	0.7
146.04504	1.7
150.17783	0.6
157.01459	0.9
161.04486	1.0
161.23680	0.6
173.04529	4.8
175.02452	3.3
179.03371	0.7
185.00906	0.9
191.05568	2.1
193.03537	1.4
205.03499	1.7
205.07132	2.5
207.05121	1.3
223.08234	1.2
231.05110	2.0
247.07721	0.7
249.06204	23.0
249.08916	1.2
250.06599	0.7
261.05560	1.4
267.07254	42.8
268.07654	2.4
275.07187	4.7
293.08197	1.7
305.04608	0.9
310.28293	0.6
317.82788	0.6
337.07108	0.8
381.14090	100.0
382.14447	9.8
385.11472	11.8
386.11935	1.9
396.39981	0.6
404.33984	0.6
418.91455	0.8
427.03830	0.7
427.27740	0.7
499.18353	39.9
499.30121	1.1
500.18604	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	498.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34402	0.6
55.01759	3.2
57.03333	0.9
59.01266	13.8
61.98722	3.2
67.01775	1.0
68.81073	0.5
69.03345	100.0
70.03670	1.7
71.01273	4.3
71.04925	1.0
71.58188	0.8
72.99205	2.5
73.02843	1.8
75.00771	1.1
78.95798	1.8
79.01783	1.7
83.01306	0.7
85.02850	4.5
87.00797	2.1
89.02348	1.1
93.03368	2.5
95.01296	2.7
97.02854	20.5
99.00781	28.7
100.01170	0.9
101.02356	1.4
106.83984	0.7
111.00806	0.8
111.04408	1.1
113.02338	3.0
115.07555	4.1
121.02879	1.4
123.00816	1.4
125.02423	0.6
129.01898	1.5
129.05495	1.4
134.03685	0.9
135.04474	1.3
137.02396	1.7
141.01880	5.3
158.11804	1.5
171.06590	0.6
173.04521	8.5
174.04915	0.7
185.00888	80.5
186.01266	3.6
191.05592	2.1
203.01959	4.3
206.88503	0.6
249.06178	1.5
249.09218	1.8
267.07333	3.9
273.07849	1.6
275.07236	2.2
312.18359	1.5
380.12903	1.0
381.14050	1.1
385.11664	1.7
398.29175	0.7
498.20123	11.2
498.26990	1.5
499.19144	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	498.2907
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
51.14712	0.1
59.01264	0.3
61.98716	0.2
65.58857	0.2
71.23419	0.3
79.95629	7.5
80.76247	0.1
80.96408	2.4
94.62581	0.2
94.97957	0.2
99.00745	0.2
106.97995	3.7
124.00658	3.4
160.83400	0.1
173.04504	0.4
191.05597	0.7
280.54514	0.1
302.35190	0.1
309.20953	0.2
310.77682	0.2
372.28864	0.3
432.31058	0.2
480.27606	0.2
498.29037	100.0
499.29391	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	499.126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10960	0.4
59.01263	2.5
62.89893	0.4
68.99679	0.6
69.03323	0.4
71.01269	1.1
71.05314	0.7
83.01291	0.4
83.04897	0.4
85.02853	1.6
89.02316	0.7
93.03352	4.3
100.19303	0.4
101.02375	1.2
113.02371	2.7
136.01492	0.4
161.04509	0.4
173.04558	3.2
193.06609	1.9
219.08124	3.2
221.06012	2.0
221.09680	0.7
229.06615	0.5
230.07358	2.2
231.08131	3.4
232.08646	0.6
233.06108	0.6
247.07680	19.6
248.08022	2.5
249.09244	77.5
250.09590	7.9
258.06906	4.8
259.07352	0.7
261.05554	1.8
261.09375	0.5
262.09915	0.5
263.10959	1.0
274.06528	0.5
275.07205	100.0
276.07553	10.8
291.10416	2.2
293.08252	11.8
294.08652	1.7
333.11407	0.7
335.09396	2.4
454.99414	0.5
455.13495	3.4
456.14157	0.6
470.18423	0.4
481.11542	13.2
482.11899	2.4
499.12445	9.7
500.12836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22665	0.1
70.19913	0.2
70.20313	0.3
71.82674	0.1
79.95624	8.2
80.96410	2.7
94.97988	0.3
106.97997	3.9
123.99747	0.2
124.00658	3.9
173.04561	0.2
230.03026	0.1
303.44559	0.1
372.29022	0.2
386.30865	0.2
395.74243	0.1
432.31268	0.2
480.27805	0.2
498.29041	100.0
499.29382	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	497.2767
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
55.01774	0.3
57.03336	0.3
58.00479	0.2
59.01264	10.2
59.20206	0.1
60.01624	0.2
61.98707	0.3
69.03345	1.4
71.01268	4.7
71.58563	0.2
72.99194	0.5
73.02835	1.6
75.00769	0.1
78.72369	0.1
81.79658	0.1
83.01278	0.9
85.02838	2.4
85.10066	0.1
87.00758	0.5
89.02334	2.4
89.92156	0.1
93.03358	0.4
95.01291	0.5
96.95861	0.2
97.02857	0.4
99.00764	1.3
101.02344	4.7
101.06018	0.3
109.02932	0.2
113.02360	2.5
114.02673	0.2
119.03433	1.0
119.04913	0.1
125.02409	0.2
131.03468	0.2
133.02901	0.2
137.02353	0.2
139.93112	0.1
141.01837	0.2
143.03398	0.3
145.02882	0.5
149.04543	0.1
161.02422	0.3
161.04497	0.5
163.03990	0.2
173.04482	0.9
185.00883	1.0
190.18146	0.2
191.05542	0.4
206.66750	0.2
223.89867	0.1
231.08092	0.3
249.06012	0.2
275.07129	0.9
276.07739	0.2
317.21274	7.6
318.21686	0.8
329.06381	0.3
335.22345	24.1
336.22644	3.1
351.13077	0.3
497.27661	100.0
498.27994	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	498.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02278	0.4
55.01767	3.1
57.03342	0.5
57.60055	0.3
58.95353	0.2
59.01266	3.7
61.98715	1.3
67.01778	1.0
69.03343	100.0
70.03675	2.4
71.01261	2.3
71.04888	0.4
71.58191	0.2
71.58577	0.3
72.99198	2.4
73.02843	0.2
75.00754	0.2
76.45213	0.3
78.95776	0.3
79.01772	1.3
79.17043	0.2
81.03368	0.2
83.01306	0.3
85.02850	3.9
85.06474	0.9
87.00776	0.8
89.02362	0.4
93.03368	0.8
95.01294	3.0
96.95914	0.3
96.96866	0.3
97.02852	20.9
97.06526	0.2
98.03205	0.6
99.00780	26.7
99.04415	0.3
100.01115	0.5
101.02356	0.7
104.81429	0.2
109.02833	0.3
109.06487	0.3
111.00799	0.9
111.04443	2.0
113.02357	0.9
114.09152	0.4
115.07574	1.1
119.03436	0.2
123.00799	1.1
125.02325	0.3
127.07563	1.7
127.48803	0.2
128.10744	0.5
129.01859	0.9
129.05524	0.6
131.07065	0.6
134.03694	0.2
135.04463	0.3
141.00784	0.4
141.01871	6.2
156.10255	4.6
158.11815	5.7
159.02939	0.6
159.12228	0.3
166.99799	0.3
171.06610	0.6
173.04535	2.3
177.01917	0.3
179.07161	0.3
185.00883	87.8
186.01227	3.6
191.05582	1.1
196.09877	0.4
203.01959	6.6
204.02290	0.2
205.03563	0.5
214.10851	0.3
249.09259	0.3
275.07138	1.6
293.08151	0.3
312.18201	6.2
313.18518	0.6
364.31119	0.2
381.13977	1.5
498.19998	12.9
499.08817	0.3
499.19849	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	497.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48360	0.5
55.83929	0.5
57.03349	0.8
59.01266	3.9
59.50433	0.5
61.98711	1.0
67.64258	0.5
69.03345	0.8
71.01276	4.5
71.58369	1.0
72.99218	0.6
81.03352	0.8
83.01270	0.6
83.04900	3.4
84.58118	0.5
85.02839	1.0
87.00746	0.5
89.02354	1.3
93.03366	2.3
95.01295	0.9
96.95924	0.9
99.04369	0.7
101.02352	1.9
103.57507	0.5
109.02864	0.6
113.02376	0.6
125.02390	0.6
137.02402	0.6
148.20966	0.5
151.00368	0.5
153.01953	0.5
171.10181	2.8
171.59529	0.5
173.04512	3.6
191.05563	2.5
199.09760	0.9
207.10251	0.6
207.14990	0.6
217.06612	0.8
219.08150	89.8
220.08464	7.8
224.25217	0.5
225.16142	3.7
245.06042	1.2
247.07678	22.5
248.07968	2.0
253.09351	0.6
263.07175	100.0
264.07541	11.0
273.05630	14.3
273.08554	0.9
273.12640	0.5
274.05920	1.2
281.73047	0.5
289.05136	9.0
290.05667	2.2
291.06677	13.1
292.07025	1.7
333.23218	1.2
389.14771	0.7
425.12537	4.4
433.31882	2.1
451.32993	52.1
452.33408	1.1
453.12009	19.6
453.33755	0.8
454.12485	3.3
497.20728	2.0
497.33923	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2743
Annotation	Ardisenone
Peak:m/z	Relative Intensity
53.70770	0.6
61.89025	0.6
70.96703	0.9
70.97038	1.0
78.95797	41.2
87.08443	0.6
90.50346	0.6
96.96865	3.2
115.83398	0.6
117.50744	0.6
152.99530	62.2
153.99831	0.9
170.99202	1.3
171.00600	17.9
227.03326	4.2
245.04352	100.0
246.04654	3.5
267.23349	63.7
268.23697	6.0
495.27393	61.9
496.27725	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	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43897	0.2
59.01255	0.2
61.98731	0.3
69.03342	0.2
69.96940	1.0
71.01254	0.2
74.11582	0.2
79.95626	7.1
80.96410	3.0
86.06863	0.2
93.03380	0.2
98.20491	0.3
106.97993	4.0
109.06487	0.2
124.00672	4.2
173.04523	0.5
191.05653	0.2
217.57101	0.2
217.69206	0.2
243.55841	0.2
313.75818	0.2
330.24484	0.3
496.27496	100.0
497.27823	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	496.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65340	0.2
58.59900	0.3
58.95876	0.3
59.01273	2.8
60.44450	0.3
61.98718	100.0
71.01281	1.1
71.21347	0.2
71.56976	0.5
78.95808	0.4
85.02856	0.4
89.02339	1.6
101.02359	1.1
113.02369	0.6
114.37135	0.3
119.03442	0.4
171.00502	0.3
225.22227	2.5
253.21870	0.9
271.22867	5.1
272.23251	0.4
319.37839	0.3
408.88699	0.3
433.28149	20.9
434.28476	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	495.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98949	0.2
56.13395	0.1
57.03338	2.2
58.03671	0.5
59.01268	4.0
61.98719	0.3
64.21923	0.2
69.32184	1.7
71.01266	1.6
72.01600	0.3
73.02831	0.6
78.95819	0.3
83.01292	0.2
85.02837	0.6
87.00785	0.2
89.02350	0.6
93.03345	1.2
96.96859	0.2
99.04411	1.3
100.04771	0.4
101.02343	1.1
102.02702	0.4
103.02764	0.3
111.00819	0.3
113.02326	0.5
116.03786	0.1
118.72789	0.2
119.03398	0.3
123.59631	0.2
125.02359	0.6
125.04047	0.2
126.02646	0.1
129.79984	0.2
141.09135	0.4
142.09526	0.3
143.03445	0.2
143.10724	0.3
161.04498	0.4
165.07025	0.4
173.04552	0.3
182.07329	0.2
191.05530	0.3
191.08640	0.7
193.06607	0.5
217.06728	0.2
218.07269	0.2
219.08147	63.1
220.08481	5.9
247.07669	71.7
248.08012	7.0
248.10684	0.2
263.07178	100.0
264.05225	0.2
264.07513	9.6
291.06689	78.0
292.07028	8.6
303.15225	0.2
319.37192	0.2
333.18201	0.2
349.18933	0.9
350.18958	1.3
351.19125	1.0
392.20062	0.4
393.20413	0.4
494.23676	0.4
495.23560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01049	0.9
59.01268	10.6
70.85437	1.5
70.85766	2.1
71.01290	5.6
81.37006	1.0
85.02837	4.0
85.16615	1.0
87.00728	1.1
89.02345	5.9
93.03354	22.9
95.01260	1.7
101.02349	8.4
113.02363	30.8
114.02729	1.4
119.03463	5.2
129.91608	1.1
135.04466	1.7
161.04491	3.7
187.03963	2.0
198.03262	2.9
200.99992	1.1
203.43517	1.4
211.03954	3.6
215.03490	16.9
217.06386	1.5
219.08183	14.2
231.08195	1.4
233.05907	1.2
245.06171	2.9
245.09676	1.1
246.06932	9.4
247.07661	18.8
248.08028	2.6
261.09229	4.6
289.05109	12.9
289.08725	3.3
290.05820	4.2
291.06699	100.0
292.07016	10.5
304.07538	13.4
305.08215	6.7
315.06772	3.4
333.07748	38.1
334.08176	5.3
357.07492	1.1
357.99692	1.3
363.08804	6.7
371.40915	1.2
434.24597	1.1
453.12021	43.5
454.12262	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1157
Annotation	circumanthracene
Peak:m/z	Relative Intensity
57.03325	1.6
59.01257	3.6
71.01276	5.1
71.13669	1.0
71.14023	1.9
72.62202	0.8
73.02833	1.0
81.03354	1.0
82.61196	0.8
83.01260	2.3
85.02837	3.0
87.00797	0.9
93.03332	0.9
95.01275	2.8
99.04390	1.7
101.02336	3.1
107.01295	2.9
108.02077	56.8
109.02881	23.3
110.03238	1.0
111.00786	2.5
113.02365	1.2
114.92115	0.8
117.14422	0.8
121.02849	3.8
123.00797	7.3
123.04433	0.9
124.01573	3.2
125.02351	1.3
127.00288	2.0
135.00804	1.9
137.02359	3.9
138.03185	1.1
139.00290	2.7
139.03941	3.4
140.80762	0.8
149.99539	1.1
151.00311	0.8
152.01088	54.4
153.01874	17.4
153.05484	3.0
155.03481	1.3
164.96056	0.8
165.01938	1.6
166.02705	1.0
166.99814	7.8
167.03500	1.0
168.00552	3.1
173.04514	1.5
181.01376	2.0
182.02206	6.6
183.02966	13.7
187.91640	0.9
191.05476	1.0
197.04515	7.4
303.49652	1.0
315.07242	3.8
327.07242	8.5
341.08783	2.9
451.12485	5.0
463.08960	3.9
480.08813	1.8
495.11545	100.0
496.11948	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	495.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60890	0.4
55.92360	0.3
57.03316	0.7
57.03576	0.4
58.31399	0.4
59.01268	3.4
64.60910	0.4
64.86739	0.3
67.01773	1.5
68.91213	0.4
68.99700	0.7
69.03337	1.1
69.69997	2.5
71.01270	3.6
73.02806	0.7
81.03339	1.3
83.01286	1.3
85.02855	2.6
86.86047	0.4
87.00751	0.9
88.31583	0.4
89.02328	0.9
89.69117	0.4
91.01789	0.8
93.03354	2.0
95.01286	7.7
96.95921	0.5
97.02862	0.6
98.20552	0.6
99.00769	1.1
101.02340	1.9
107.01285	1.8
108.02077	25.0
109.02872	18.2
110.03195	0.5
111.00790	2.0
113.02348	1.5
119.68719	0.4
121.02881	2.9
123.00800	19.8
123.04442	3.8
124.01586	28.1
125.02402	5.5
127.00290	1.2
129.01796	0.4
133.49338	0.4
134.13074	0.4
135.00845	1.2
136.98730	1.0
137.02368	3.5
138.03152	1.2
139.00301	1.6
139.03944	8.8
141.01839	0.7
149.99510	1.9
150.03159	0.5
151.00288	3.9
151.03896	0.5
152.01100	27.7
153.01881	22.5
153.05475	1.6
154.02330	0.9
165.01845	2.6
166.02647	2.1
166.99812	42.1
167.03435	9.6
168.00537	3.5
169.01375	6.0
173.04547	2.0
181.01395	3.1
182.02155	3.9
183.02953	11.2
191.05582	3.7
195.02945	0.7
197.04556	3.2
215.16351	0.4
225.04085	0.7
237.04169	0.4
246.95657	0.4
251.05600	0.6
296.05389	0.8
297.06281	4.2
311.07788	3.1
312.05124	0.6
315.07385	1.4
326.06625	0.6
327.07285	3.8
328.07550	0.5
341.08731	1.7
451.12778	2.8
463.09222	2.6
477.10556	0.4
480.09186	3.9
481.09445	0.8
494.40082	0.4
495.11588	100.0
496.11954	15.1
496.17514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59197	1.0
55.01773	1.7
57.03339	90.6
58.00480	2.3
59.01267	93.3
60.01592	1.2
61.98720	9.0
69.03343	3.1
71.01272	58.1
71.56542	1.9
72.01608	1.4
72.99191	3.8
73.02836	24.1
75.00768	3.3
78.95782	1.5
81.03353	2.6
83.01273	7.9
83.76289	1.3
83.92099	1.1
84.64619	1.1
85.02842	19.6
87.00768	14.3
89.02338	21.5
93.03354	3.0
95.01281	2.3
96.35520	1.2
96.95907	1.9
97.02864	2.1
99.00774	9.5
99.04420	63.2
99.65796	1.0
100.04754	2.4
101.02347	55.3
101.05973	2.1
102.02708	1.4
113.02358	25.6
117.01869	7.1
119.03407	7.9
123.04418	1.1
125.02372	38.8
126.02711	1.2
129.01912	1.6
131.03415	1.6
135.04474	1.8
137.02362	1.6
141.09155	21.9
143.03433	4.1
143.10738	4.5
158.92467	1.1
159.02965	2.2
161.04506	18.4
167.10666	1.2
173.04536	7.0
179.05476	2.6
179.06999	1.2
185.00807	1.8
187.13284	2.1
189.14874	1.2
191.05647	1.9
192.15141	1.2
203.05583	2.1
259.15604	2.3
265.07614	1.5
295.45319	1.2
331.17728	30.2
332.18033	3.4
333.19449	1.8
349.18735	100.0
350.19064	12.2
391.19803	28.5
392.20071	4.5
393.21213	7.9
431.22894	3.6
493.16791	2.3
493.22928	12.8
493.30338	3.5
494.23444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
59.01265	100.0
60.01605	1.1
61.98724	1.4
65.78065	0.3
69.03340	0.6
71.01268	4.4
71.58651	0.5
72.99194	0.6
73.02836	2.8
75.00791	0.6
78.95825	0.3
83.01289	1.1
85.02856	1.9
87.00777	0.7
89.02332	2.2
90.98504	0.5
93.03372	0.7
95.01302	0.5
97.46493	0.3
99.00808	0.7
99.04443	0.5
101.02364	4.1
101.05988	0.3
113.02348	2.6
119.03438	0.8
120.99631	0.8
123.04475	0.9
125.02347	0.6
134.03690	0.4
135.04413	0.5
137.02396	0.4
137.09669	0.9
141.01619	2.5
143.03432	0.6
145.04909	0.3
149.04535	0.4
161.04562	1.3
167.03470	0.6
173.04498	1.6
177.01984	0.3
179.05643	0.3
181.08656	1.8
191.05585	0.6
191.72958	0.3
221.06931	0.3
229.18175	0.8
258.16953	0.3
311.07803	1.2
373.22363	7.2
374.22928	1.0
391.23450	2.8
433.24585	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68432	1.1
57.03340	87.9
58.00479	2.0
58.03668	1.6
59.01267	100.0
60.01593	1.9
61.98718	3.4
69.03334	1.7
71.01272	45.9
71.19407	1.8
72.99210	4.2
73.02839	31.8
75.00758	1.8
76.16682	1.1
79.05418	1.8
79.95696	1.0
80.96416	1.5
81.03349	3.2
83.01286	11.3
85.02845	10.4
87.00780	3.2
88.98637	0.9
89.02338	25.1
93.03373	3.2
94.50778	1.0
95.01285	3.3
95.04922	1.4
96.95887	3.2
97.02864	1.1
97.06504	2.0
99.00763	1.7
99.04423	93.0
100.04749	2.4
101.02348	59.4
102.02670	1.2
108.02095	1.1
109.02874	2.2
109.06503	2.2
111.04412	1.2
113.01625	2.1
113.02361	26.3
113.05975	4.2
119.03424	13.1
120.99558	1.3
121.02885	2.0
123.04437	28.2
125.02370	42.9
131.03419	4.2
135.04460	1.8
137.02428	1.4
141.05508	4.0
143.03426	8.4
149.04512	7.3
151.00372	1.5
153.05542	4.3
155.03435	1.6
161.04512	27.5
167.03450	1.4
173.04520	4.4
179.03308	1.2
179.05588	13.5
191.05548	2.0
221.06618	4.2
259.10794	1.9
263.07687	2.6
311.07858	2.1
323.09991	5.0
429.36835	1.1
433.24725	5.5
449.23773	1.9
483.61935	1.6
493.23642	14.5
493.30344	1.4
494.23831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07386	0.3
54.71116	0.4
57.03315	0.5
59.01266	2.9
59.02549	0.3
59.17741	0.3
60.63032	0.3
61.56285	0.3
61.98719	1.1
71.01262	0.6
71.59667	0.5
78.95796	19.6
96.95867	0.4
96.96867	1.1
97.06499	0.3
100.02505	0.4
101.72640	0.3
113.09629	2.4
121.02937	0.5
139.58745	0.3
140.01126	3.1
152.99512	2.9
171.00565	2.2
173.04518	1.4
174.99196	0.9
177.12830	0.6
179.14375	1.4
181.12263	0.8
195.13889	18.2
196.03836	2.0
196.14203	1.2
200.98798	0.4
214.04846	4.2
217.13470	0.4
251.23843	0.8
277.21793	15.7
278.22092	1.8
295.22842	100.0
296.23199	11.4
414.21371	0.4
445.32355	0.4
492.27438	37.1
493.27713	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	492.2747
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
53.45143	0.6
57.03349	0.9
59.01265	3.3
61.98728	1.3
71.59078	0.8
78.95796	32.4
83.04960	0.6
113.09654	2.8
122.00065	1.2
140.01123	10.3
143.53706	0.7
150.63664	0.7
151.32961	0.6
152.99539	3.2
171.10205	1.9
173.04478	1.1
177.12849	1.3
179.14497	1.5
195.13895	22.3
196.03767	14.7
196.14224	1.4
214.04868	3.6
218.88953	0.6
277.21768	17.8
278.22192	2.4
295.22858	100.0
296.23172	10.3
302.83832	0.6
397.20087	0.6
397.29474	0.7
431.22101	0.7
492.27432	77.0
493.27670	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	491.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10557	0.4
57.03333	1.8
59.01266	100.0
60.01604	1.8
61.98721	5.4
68.99725	0.5
69.03336	0.9
71.01276	5.5
72.99205	0.5
73.02843	1.6
75.00767	1.1
78.95782	0.8
83.01278	0.8
83.04875	0.4
85.02840	2.5
87.00782	0.7
89.02337	2.7
93.03378	1.0
96.95912	0.9
96.96880	0.4
97.02900	0.6
99.00797	1.1
99.04444	1.2
101.02346	3.6
101.05960	0.6
106.06561	1.7
108.02119	1.4
111.04424	0.7
113.02348	3.0
118.98013	1.6
119.03448	0.8
125.02363	0.6
135.04414	0.5
137.09583	0.4
143.03488	0.4
146.06569	0.4
150.05565	1.1
152.01108	2.3
153.01938	0.7
161.04562	0.9
167.10724	0.5
173.04506	2.3
174.91559	0.5
177.01845	0.6
179.03432	0.7
191.05565	0.9
227.32127	0.4
347.17258	1.8
371.20682	1.6
389.22089	1.6
401.21735	0.5
431.22662	2.7
432.23395	0.6
432.88412	0.4
448.12720	2.4
491.22412	0.7
491.28882	0.9
492.11819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14831	0.4
57.03323	0.5
59.01268	4.4
60.01596	0.4
61.98712	1.3
69.03327	0.6
71.01264	3.0
73.02829	1.4
78.34179	0.4
78.95780	0.6
81.38203	0.4
84.04435	1.6
85.02853	1.0
86.02361	0.6
89.02337	1.2
93.03355	0.7
97.02847	0.6
98.00591	1.6
99.00822	0.6
99.04426	0.6
101.02350	2.9
101.05994	0.4
113.02344	1.8
119.03429	0.4
128.03453	3.7
130.84814	0.4
135.04492	0.5
137.67148	0.4
140.01677	0.7
161.04497	1.5
171.10214	1.4
172.40364	0.4
173.04543	1.2
176.75821	0.4
191.05505	0.5
195.69470	0.4
211.13307	0.5
257.06287	0.5
258.06897	15.8
259.07568	5.4
260.07974	0.7
262.04709	1.0
263.05432	3.2
287.07236	3.6
288.07498	4.6
290.04099	6.6
291.04916	47.9
292.05301	4.9
319.04407	100.0
320.04727	11.9
329.23459	3.4
330.23877	1.0
491.28427	1.6
493.21234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02522	0.2
57.03344	0.5
59.01264	100.0
59.72017	0.2
60.01598	1.1
61.01661	0.2
61.98730	0.9
69.03358	0.4
69.45081	1.0
69.45500	0.5
71.01270	2.6
72.99229	0.3
73.02836	1.1
74.02384	0.2
75.00764	0.5
81.85489	0.2
83.01299	0.3
83.04925	0.4
85.02836	1.1
87.00789	0.2
89.02335	1.3
93.03368	0.2
96.42963	0.2
97.71970	0.2
99.00799	0.4
99.04427	0.6
100.03960	0.5
101.02351	1.8
103.77074	0.2
108.02082	0.2
109.02901	0.2
113.02365	1.4
119.03441	0.6
123.04440	3.9
123.05296	0.3
125.02386	0.4
132.02092	0.3
134.03685	0.5
135.04460	1.0
141.09035	0.2
147.04552	0.2
153.05511	3.6
153.32802	0.2
155.03398	0.2
160.01610	1.4
161.04533	0.7
164.17555	0.2
167.03442	0.3
168.61678	0.2
173.04544	0.8
175.03943	2.2
176.07184	0.2
179.03429	0.3
191.05627	0.5
193.05115	0.6
219.08138	0.9
221.06012	0.4
222.06731	0.2
227.16771	0.3
229.67960	0.2
233.06143	0.3
235.10915	0.3
259.07642	0.3
263.07587	0.2
285.05411	2.6
286.05823	0.2
289.05460	0.4
289.08499	0.3
303.06650	0.5
322.95917	0.2
329.04367	2.5
330.05008	0.3
337.09363	2.8
338.09808	0.4
371.20755	1.4
389.21896	2.9
431.22849	2.8
432.23575	0.6
447.22736	0.4
491.10614	0.2
492.29898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.4
57.03341	1.4
58.00484	0.7
59.01265	62.5
60.01605	0.9
61.98726	1.7
66.07433	0.4
69.03353	1.1
69.44567	0.3
70.36018	0.9
71.01271	15.7
71.04943	0.6
72.99203	1.3
73.02837	10.9
74.02357	1.9
75.00762	0.8
77.46343	0.3
78.95810	0.8
80.43793	0.3
81.03343	0.4
82.35055	0.4
83.01271	3.5
83.01643	0.3
85.02843	4.5
87.00781	2.0
87.04395	0.6
89.01817	0.7
89.02338	5.9
90.93779	0.4
93.03388	1.0
95.01316	1.5
96.95924	0.6
97.02888	0.7
99.00790	1.6
99.04412	0.8
101.02348	13.1
104.03455	0.7
113.02353	7.6
118.98038	1.4
119.03423	1.9
122.05990	0.5
125.02400	1.0
125.09640	1.3
131.03401	0.9
143.03493	1.3
149.04514	0.8
153.01917	0.4
153.09171	1.4
161.04469	2.4
171.55098	0.5
173.04543	2.0
187.09669	0.5
191.05646	0.7
194.01041	0.4
199.70920	0.4
203.05496	0.4
209.15483	1.6
221.06728	0.6
224.16557	0.5
225.14948	8.3
226.15363	0.8
243.16032	14.2
244.16426	0.9
258.51825	0.5
269.17709	1.2
284.96390	0.4
371.20770	4.1
372.21124	0.8
387.20337	10.1
388.20535	1.1
389.21912	1.6
396.51993	0.4
405.21381	49.2
406.21741	6.3
431.22772	4.5
432.23367	0.8
447.22446	100.0
448.22815	13.9
462.24005	0.8
491.28812	0.8
492.24530	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	491.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86059	0.6
59.01269	4.1
69.96024	3.7
78.95798	13.6
86.52807	0.7
96.95872	0.9
115.62291	0.6
120.96862	2.6
138.97925	4.2
145.03091	0.6
149.80342	0.6
152.99525	14.7
195.00601	7.1
207.16725	0.6
213.01668	9.1
217.79337	0.6
275.20459	0.7
277.21780	100.0
278.22113	9.4
399.33807	0.6
473.23190	34.9
474.23627	5.9
491.24115	12.1
492.24881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.1
59.01265	100.0
60.01607	1.7
69.54520	1.6
69.54958	2.1
71.01273	7.0
72.18015	0.5
72.99186	0.5
73.02837	5.4
83.01308	1.8
85.02853	2.7
85.03291	0.5
89.02337	4.1
94.99947	0.5
95.01299	1.2
96.93638	0.4
99.04411	1.1
101.02351	7.3
113.02359	5.3
119.03410	1.3
120.99577	4.1
124.60825	0.6
125.02402	0.7
131.03436	0.6
136.04024	0.7
148.03969	0.7
150.09579	0.5
155.03435	0.5
159.70070	0.6
160.04033	0.5
161.04527	3.3
173.04518	0.8
179.05490	0.9
227.16612	1.9
253.09845	1.0
255.11545	0.8
285.12503	1.2
320.60455	0.5
329.11679	2.3
371.20813	19.2
372.21341	1.7
389.22125	3.5
390.22531	0.6
431.22925	9.8
431.28763	0.6
432.23511	1.4
491.09930	1.0
491.16934	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	491.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85538	0.7
54.80644	0.7
55.01768	1.7
55.63323	0.7
57.03329	1.5
58.00476	1.1
59.01262	62.6
60.01612	0.9
61.98703	0.8
63.74708	0.7
69.03349	2.5
69.37445	0.9
69.37842	6.7
71.01269	47.2
72.99205	1.9
73.02838	33.2
74.03164	1.2
75.00771	1.7
75.30623	0.8
80.97504	0.8
82.05521	0.9
83.01276	8.5
85.02815	4.6
87.00759	1.9
89.02339	7.3
93.03407	1.3
96.62147	1.0
99.00763	1.0
99.04410	1.5
101.02347	25.8
113.02355	7.9
119.03412	2.6
125.02380	1.9
127.11175	1.7
131.03429	1.6
139.11188	1.1
143.03453	1.6
144.68065	0.8
149.04514	2.1
153.12813	3.5
154.01430	0.9
155.03506	0.9
157.84438	0.8
161.04520	2.9
173.04535	3.5
181.12254	1.2
182.23204	0.7
191.05574	2.2
199.13379	6.6
207.13800	1.0
225.15002	3.0
243.16081	1.0
259.07770	2.2
261.60306	0.8
287.07159	7.9
288.07294	0.8
299.12579	1.0
320.13721	0.8
376.10458	0.9
387.20245	3.8
405.21347	11.0
406.21579	1.4
429.21332	1.8
447.22452	100.0
448.22794	13.9
491.28326	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	491.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.4
59.01264	100.0
60.01612	0.9
61.98719	3.5
69.03339	1.9
70.78701	1.7
71.01270	18.7
72.99215	1.2
73.02834	12.4
75.00779	0.9
83.01277	4.2
85.02847	5.2
87.00781	1.9
89.02328	6.8
93.03369	1.8
95.01300	1.6
96.95916	0.6
97.02840	0.9
99.00784	1.7
99.04417	2.5
101.02347	18.8
108.02073	1.0
109.02890	1.2
111.04418	0.6
113.02360	9.9
116.17056	0.5
118.97960	0.7
119.03413	5.4
123.04403	4.5
125.02374	1.6
131.03444	1.4
132.02153	0.8
134.03639	0.7
135.04449	1.7
137.09650	3.1
143.03453	2.3
145.02939	0.6
149.04489	3.6
149.09673	0.5
153.01888	1.2
153.05525	4.4
155.03503	0.7
160.01596	2.6
161.04475	8.1
167.10730	20.8
168.11142	1.0
173.04521	4.3
174.04951	0.6
175.03947	3.8
179.03456	0.7
179.05576	3.8
185.00867	0.7
185.11885	0.7
189.12804	0.5
191.05621	1.5
193.05092	0.9
196.50752	0.6
203.05676	0.9
221.06685	4.0
241.02815	0.7
263.07846	2.2
337.09296	4.3
347.17236	1.9
371.21103	1.3
389.22406	1.2
411.20517	0.9
431.23029	2.0
491.21768	1.5
492.16580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.4
59.01265	1.6
61.98729	0.3
69.03368	0.1
71.01268	0.7
73.02834	0.4
80.20164	0.1
83.01278	0.1
83.04910	0.2
85.02854	0.3
87.00745	0.2
89.02369	0.1
93.03387	0.3
98.19741	0.3
99.00802	0.3
99.04434	0.4
101.02334	0.7
113.02415	0.3
121.29340	0.1
125.02386	0.3
135.04378	0.1
137.36812	0.1
161.04550	0.3
171.10219	0.3
173.04514	1.2
181.12245	0.2
191.05550	0.5
211.13402	0.4
229.14496	0.3
230.07419	0.4
231.08113	0.6
241.06615	0.6
243.08215	0.1
245.06055	0.1
255.13921	0.3
258.06888	1.3
259.07681	22.4
260.08029	2.6
269.06171	1.1
270.06290	0.3
285.05554	0.2
286.06366	0.7
287.07193	100.0
288.07541	11.5
299.12888	0.2
300.08167	0.3
301.08749	0.2
329.08325	0.2
329.23352	1.2
431.11743	0.2
431.26425	0.1
449.12878	0.6
450.13214	0.1
459.26089	0.3
491.13712	1.6
491.28708	0.6
492.13940	0.4
498.07007	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	490.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35619	0.3
57.03339	0.5
59.01260	2.5
61.98715	1.5
70.80506	0.3
71.01258	0.7
71.50243	0.7
78.95793	12.5
83.04929	0.5
93.03358	1.3
95.04911	0.3
109.06514	0.4
111.08029	0.5
134.03662	1.0
137.02379	0.4
140.01118	4.3
152.99541	1.5
155.03452	0.4
171.00592	0.7
173.04532	4.5
174.04849	0.4
179.03281	0.5
179.14397	0.8
181.12256	0.5
191.05615	0.8
195.13893	10.1
196.03780	2.6
196.14462	0.7
205.12332	0.9
205.15842	0.7
211.13443	0.6
214.04843	5.1
223.13409	7.6
224.13718	0.5
228.13757	0.9
230.61662	0.3
235.16936	0.4
249.22296	0.4
256.13254	1.6
258.91965	0.3
265.21802	0.6
275.20230	5.1
276.20520	0.5
293.21301	100.0
294.21625	10.7
314.03445	0.4
316.12668	0.6
490.25876	36.2
491.26224	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	491.1208
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
53.24379	0.3
57.03322	1.2
59.01263	18.4
60.01580	0.7
61.01675	0.3
61.98714	2.1
69.03333	1.1
69.48499	2.7
71.01268	5.7
72.99197	0.8
73.02837	1.2
74.02364	7.4
75.00768	0.4
81.03346	1.2
83.01278	0.9
85.02843	3.1
87.00785	0.7
89.02345	2.3
93.03360	1.2
95.01276	1.6
97.02853	0.6
98.19804	0.7
99.00786	1.0
99.04414	0.9
101.02356	3.6
104.03436	2.3
104.32516	0.3
108.02075	50.5
109.02875	19.2
109.60736	0.3
110.03223	0.5
113.02350	1.7
117.03335	0.7
119.03431	0.7
120.99524	0.4
121.02817	0.8
123.00793	0.9
123.04409	1.4
125.02359	1.2
132.02098	6.2
133.02884	4.5
134.03659	6.4
135.00781	1.4
135.04517	2.6
136.04791	0.3
137.02322	0.9
147.04414	0.4
149.05975	0.9
151.03943	0.9
152.01088	65.4
153.01888	18.6
154.02234	0.7
160.01604	27.1
161.02393	18.0
161.04521	1.1
162.02725	0.8
163.03931	0.6
165.01912	0.9
166.02792	0.4
167.03413	0.7
173.04506	1.2
175.03958	25.8
176.04308	1.5
177.01929	0.4
177.05511	0.6
179.03477	3.1
181.12331	0.6
181.77592	0.4
191.05560	0.7
193.05029	3.4
195.02911	0.4
212.16565	0.4
221.04530	0.7
224.16562	0.6
227.03499	1.2
228.04022	0.9
233.06596	0.4
239.03239	0.4
243.06612	1.5
255.03067	0.7
256.03296	1.0
257.03595	1.0
268.03842	0.4
284.03372	0.9
285.03842	0.9
286.04010	1.7
287.04660	0.9
293.08850	0.4
315.07275	16.2
316.07605	1.3
323.07788	2.6
337.09302	1.1
347.17102	0.5
431.22809	0.9
447.12943	1.8
447.22427	0.7
459.09317	1.2
462.23575	1.8
491.12021	100.0
492.12488	15.4
492.24408	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	490.2588
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
57.03329	3.4
59.01266	9.9
61.98680	1.7
65.59070	1.3
67.37560	1.6
71.56234	3.1
78.95796	56.3
89.81980	1.6
92.99956	1.5
93.03350	3.1
96.95926	8.3
96.96845	2.9
113.09660	9.8
115.70992	1.5
119.40599	1.5
134.03651	2.7
139.67957	1.6
140.01109	5.7
152.99527	8.9
163.38005	1.8
171.00627	9.6
173.04533	13.0
183.13766	2.7
195.13925	2.2
196.03766	7.7
214.04865	4.1
235.17044	5.9
275.20236	9.1
293.21301	100.0
294.21631	12.1
310.29520	1.5
314.17413	1.8
317.14029	2.5
348.59256	1.8
490.25806	62.3
491.25980	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	489.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
59.27386	0.3
60.01605	0.8
76.00622	0.3
80.05208	0.3
91.03864	0.6
130.52278	0.4
216.84946	0.4
355.32175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.75270	0.2
60.01598	1.1
68.52106	0.2
70.96224	0.2
70.96577	0.4
91.03894	1.2
355.32227	2.3
356.32718	0.4
368.72061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	23.5
58.00466	0.5
58.03667	0.6
59.01263	70.2
60.01598	3.1
61.01702	0.5
61.98716	100.0
62.98420	0.7
66.72401	0.4
69.03345	1.4
70.34996	1.4
71.01266	12.3
72.99205	1.2
73.02837	7.2
74.02361	0.8
75.00753	1.7
81.03372	0.8
83.01279	3.1
85.02829	2.8
87.00777	1.2
89.02338	5.7
93.03352	1.9
95.01286	1.0
96.95927	0.5
97.02837	0.5
97.06483	0.4
98.19943	0.4
99.00784	3.1
99.04420	25.6
100.04774	0.9
101.02345	17.1
101.03011	0.8
102.02665	0.8
108.02052	0.7
109.02811	0.5
111.04397	0.5
111.08046	0.4
113.02358	6.6
113.05956	0.9
114.02626	0.5
119.03427	3.4
123.04443	3.5
125.02368	10.3
127.07476	0.6
129.01852	0.9
131.03383	1.2
132.02077	0.5
133.02893	0.7
134.03625	0.9
135.04410	1.9
137.02367	0.8
141.05496	0.9
143.03459	2.1
149.04526	2.5
149.05499	0.4
153.05453	0.7
153.09125	0.7
155.03375	0.6
160.01573	3.4
161.02435	2.6
161.04500	5.0
161.10608	0.4
173.04512	2.8
174.38687	0.5
175.03969	4.9
176.67807	0.5
177.04005	0.9
179.03377	0.8
179.05522	1.6
191.05446	1.5
193.04956	0.7
195.04994	0.6
195.06639	0.5
203.05510	0.5
209.15355	0.9
221.06560	1.5
227.03680	0.6
255.02722	0.5
284.03119	0.5
285.03629	1.6
286.04272	1.6
371.20636	1.0
389.21729	1.0
427.16153	9.4
428.15912	1.3
431.22787	2.1
456.91525	0.5
490.10086	0.8
490.23059	2.6
491.15683	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	489.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00479	1.4
57.03341	1.5
58.00475	2.7
59.01267	42.6
61.98701	3.0
67.01771	4.7
69.03340	3.0
69.50704	7.9
69.51118	3.2
71.01273	47.4
71.04939	1.6
72.99215	1.5
78.95802	26.3
84.83044	1.2
85.02827	3.0
87.00776	4.5
89.02342	47.8
93.03359	27.3
93.30888	1.3
96.96850	2.3
97.06484	1.9
98.20578	2.6
101.02353	14.9
109.02882	1.9
110.62048	1.4
111.04440	3.3
113.02370	11.7
119.03418	7.0
131.03456	2.4
134.03680	16.6
135.04477	8.8
137.02330	3.9
137.09695	3.0
143.03423	2.8
146.56892	1.4
152.99512	4.3
155.03421	4.8
161.04488	2.3
162.03195	3.3
168.56308	1.5
171.00627	3.3
171.10231	6.1
173.04520	100.0
174.04796	2.5
179.05580	15.1
185.11858	2.7
218.08913	1.4
234.81006	1.4
246.11320	2.0
247.12061	2.3
251.16560	6.3
291.19690	12.0
292.20129	2.0
293.21127	3.1
309.20807	43.2
310.21100	3.5
315.12509	16.4
316.12762	3.5
376.72327	1.6
407.17612	1.5
489.17795	4.2
489.26654	2.9
490.25885	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.0
59.01265	100.0
60.01607	1.8
61.01709	0.6
61.98713	1.7
69.03346	1.5
69.44852	3.3
69.84206	0.3
71.01275	5.1
72.99207	0.4
73.02844	4.1
75.00775	0.7
76.44261	0.3
79.46312	0.4
83.01296	1.1
85.02853	1.3
87.00806	0.4
89.02346	2.3
95.01337	0.4
97.02851	0.6
99.00790	0.4
99.04436	0.5
101.02336	4.9
113.02344	2.6
117.76240	0.3
118.47321	0.3
119.03433	1.0
125.02433	0.6
127.49880	0.3
143.03465	0.9
149.04527	0.8
150.00195	0.3
161.04500	2.3
173.04532	1.3
179.05586	0.7
185.00909	1.1
191.05624	1.0
203.05626	0.5
203.56802	0.4
205.12398	0.5
207.14011	0.6
217.17039	0.4
225.14905	0.9
239.11099	0.4
248.14104	0.3
369.19153	0.9
387.20282	1.2
410.21591	0.4
429.21313	3.3
430.21982	0.4
445.21094	0.4
489.24210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00479	1.4
57.03341	1.5
58.00475	2.7
59.01267	42.6
61.98701	3.0
67.01771	4.7
69.03340	3.0
69.50704	7.9
69.51118	3.2
71.01273	47.4
71.04939	1.6
72.99215	1.5
78.95802	26.3
84.83044	1.2
85.02827	3.0
87.00776	4.5
89.02342	47.8
93.03359	27.3
93.30888	1.3
96.96850	2.3
97.06484	1.9
98.20578	2.6
101.02353	14.9
109.02882	1.9
110.62048	1.4
111.04440	3.3
113.02370	11.7
119.03418	7.0
131.03456	2.4
134.03680	16.6
135.04477	8.8
137.02330	3.9
137.09695	3.0
143.03423	2.8
146.56892	1.4
152.99512	4.3
155.03421	4.8
161.04488	2.3
162.03195	3.3
168.56308	1.5
171.00627	3.3
171.10231	6.1
173.04520	100.0
174.04796	2.5
179.05580	15.1
185.11858	2.7
218.08913	1.4
234.81006	1.4
246.11320	2.0
247.12061	2.3
251.16560	6.3
291.19690	12.0
292.20129	2.0
293.21127	3.1
309.20807	43.2
310.21100	3.5
315.12509	16.4
316.12762	3.5
376.72327	1.6
407.17612	1.5
489.17795	4.2
489.26654	2.9
490.25885	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78775	0.7
55.01777	1.9
57.03337	93.3
58.03674	1.7
59.01266	100.0
60.01613	1.2
61.98701	1.4
68.72486	0.6
69.03346	2.1
70.20193	4.0
71.01270	37.3
71.04893	0.7
72.99195	2.3
73.02839	12.4
75.00771	1.9
81.03366	1.9
83.01283	5.4
83.04898	0.8
85.02843	17.6
87.00797	1.8
89.02341	5.9
93.03370	1.8
95.01291	2.1
97.02843	1.4
99.00767	5.7
99.04417	78.0
100.04769	2.7
101.02345	34.1
111.00821	1.1
113.02351	14.6
119.03437	1.7
123.04451	0.8
125.02364	36.5
126.02720	1.1
135.04482	0.8
141.45076	0.8
141.85178	0.8
143.03464	2.1
159.02942	2.9
159.04256	0.8
161.04507	14.7
163.46182	0.7
173.04529	3.2
180.68965	0.8
183.13911	3.0
192.19400	0.7
203.05618	3.4
208.70329	0.8
210.26480	0.7
219.08679	7.0
244.97057	0.9
261.09906	0.9
327.18277	7.8
327.21890	2.2
345.19275	32.1
346.19742	3.9
387.20349	10.2
388.20642	1.7
393.14221	0.9
427.23550	2.0
458.25821	4.2
489.23386	2.5
489.28445	6.7
490.24088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.7
59.01265	100.0
60.01599	2.0
61.01684	0.5
61.74744	0.3
69.03331	0.9
71.01270	8.6
71.01663	0.4
71.36454	0.5
71.36766	0.4
72.99180	0.5
73.02840	3.4
73.39690	0.4
74.80148	0.4
75.00815	0.3
75.51923	0.3
80.69409	0.4
83.01292	1.0
85.02837	2.1
87.00784	0.9
89.02338	4.1
95.01289	0.7
96.95934	0.4
99.00784	0.8
101.02339	6.4
102.86124	0.4
111.00862	0.5
113.02348	3.7
118.98026	0.4
119.03432	1.0
125.02390	0.6
125.56653	0.4
131.03499	0.5
141.05545	0.4
141.73247	0.4
143.03496	0.6
149.04523	0.4
161.04524	1.7
161.09711	1.0
162.04839	0.4
173.04576	0.9
177.01784	0.4
177.12885	0.4
207.13824	1.7
214.09027	0.4
225.14992	2.8
239.07616	0.4
369.19257	13.4
369.23672	0.8
370.19476	1.8
387.20374	10.9
388.20883	1.6
403.19199	1.1
429.21359	14.5
430.21973	1.6
444.19800	0.8
445.19977	6.9
446.20560	0.6
489.24426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98427	1.4
57.03321	3.3
59.01267	100.0
69.76356	1.4
70.03157	1.4
70.85261	2.9
70.85572	1.8
71.01272	24.6
72.99180	1.5
73.02834	23.8
83.01274	9.7
83.02379	3.0
85.02831	4.2
87.00782	2.8
89.02331	8.8
95.01266	1.9
97.02878	1.8
101.02347	23.2
113.02380	12.3
119.03410	5.2
123.08093	5.6
131.03387	3.3
143.03421	3.5
161.04529	7.8
173.04539	2.1
173.09608	1.5
179.05605	2.4
191.05560	3.6
192.05804	1.7
193.12303	2.4
223.13416	3.4
241.14476	6.1
347.35959	1.6
385.18570	5.3
403.19803	2.8
445.20996	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	489.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	5.7
59.01265	100.0
61.49284	1.0
69.62273	1.0
70.86858	1.9
71.01269	20.7
72.99209	1.1
73.02832	12.5
73.60495	1.0
74.89906	1.1
75.00781	1.2
83.01270	2.7
83.69656	1.0
85.02863	5.4
89.02343	7.6
93.03364	1.4
95.01278	1.7
101.02338	13.7
107.87195	1.0
113.02364	8.9
119.03448	3.0
131.03419	2.1
134.03650	5.2
137.09705	2.1
139.07581	1.5
143.03529	1.9
149.04504	1.6
149.06013	3.9
160.01596	3.6
161.04472	5.8
163.11269	1.3
165.09215	1.4
166.99760	1.7
173.04539	4.0
175.03975	4.6
175.07553	1.4
175.11261	3.5
179.05537	2.6
191.05586	1.3
193.05092	3.8
205.12341	5.6
223.13480	10.6
237.79787	1.2
241.14514	8.1
291.79758	1.2
316.63498	1.1
335.91898	1.2
385.18726	4.5
387.09229	1.3
445.20370	3.4
489.16544	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	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.4
59.01263	100.0
60.01609	1.0
61.98713	1.0
61.99244	0.2
63.02300	0.3
65.00233	0.4
67.15874	0.2
68.70377	0.2
68.99708	0.9
69.03348	1.0
69.48655	2.2
71.00873	0.3
71.01264	5.2
72.99208	0.4
73.02832	3.5
75.00768	0.4
80.25469	0.3
83.01273	2.0
85.02842	1.2
87.00791	0.4
89.02343	1.9
92.11621	0.2
92.20537	0.3
93.03391	0.8
95.01278	0.5
95.04862	0.2
96.95935	0.5
96.96819	0.3
97.02889	0.3
99.00775	2.4
99.04418	1.8
101.02346	5.9
107.01312	1.3
108.02094	0.7
109.02860	0.6
113.02346	2.7
119.03416	1.3
121.02898	0.3
123.04430	0.4
125.02348	1.6
131.03415	0.6
132.02147	1.0
134.03682	0.6
135.00812	0.8
135.04459	0.7
137.02397	0.5
137.09604	0.5
143.03439	0.7
149.04515	1.3
151.00299	1.7
151.03979	0.5
152.01054	0.8
153.01895	0.5
159.04488	0.6
160.89191	0.3
161.04510	2.6
163.00375	1.0
164.01170	0.3
164.22964	0.2
165.01866	0.4
167.04944	0.3
169.06549	0.3
171.04538	0.3
173.04535	1.6
177.01898	4.7
179.03334	0.3
179.05597	0.8
183.04449	0.8
183.10242	3.3
185.00905	0.8
185.02538	0.3
185.06041	1.4
187.03914	1.2
191.05583	1.0
195.04460	0.3
196.05247	0.3
197.06076	0.6
199.03976	0.6
200.04794	0.3
211.04050	1.7
213.05673	0.8
221.06648	0.6
227.03496	27.5
228.03882	2.9
229.05032	4.1
239.01338	0.3
239.03545	1.0
241.05054	0.7
251.46980	0.2
255.03017	53.3
256.03485	7.6
257.04547	2.9
267.03003	0.5
267.16138	1.7
271.02307	0.3
283.02585	0.9
284.03317	70.9
285.04037	47.4
286.04468	4.0
323.09976	0.5
327.05112	0.4
369.19791	0.3
380.34525	0.3
389.21661	0.4
411.16486	0.5
429.08374	2.3
429.21194	1.4
430.08789	0.6
445.20746	0.4
447.09399	0.8
467.76831	0.3
489.10480	47.1
489.22540	1.4
490.10867	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	489.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24757	0.4
57.03337	1.1
59.01266	22.4
69.03343	1.5
71.01269	6.5
71.04894	0.5
73.02838	8.5
78.95794	0.5
80.02560	1.5
81.03325	0.6
83.01275	1.9
85.02843	1.4
87.00764	1.4
89.02326	0.8
93.03358	0.4
97.02863	0.8
98.03635	9.7
99.00787	0.6
99.04439	1.5
101.02345	5.6
104.91072	0.4
105.62469	0.4
113.02359	2.0
123.08055	2.9
125.09644	2.1
135.04416	0.4
141.09111	1.1
143.03378	0.5
161.04501	0.6
161.90536	0.4
163.11298	2.1
173.04575	1.7
179.14352	3.5
186.05409	0.4
187.81894	0.5
205.12227	0.8
223.13383	13.2
224.13785	0.9
225.14955	1.3
229.55968	0.5
237.15273	0.4
241.14474	75.7
242.14792	5.9
243.16035	1.1
264.39386	0.4
327.21548	0.5
334.67542	0.4
339.67432	0.4
385.18753	1.5
386.18542	0.4
403.19812	18.9
404.20270	2.2
445.20874	100.0
446.21252	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62822	1.2
57.03345	1.4
59.01265	10.3
61.98711	2.1
67.01761	4.9
69.03338	2.8
71.01275	5.3
71.25590	1.9
75.00777	1.1
78.95797	18.4
80.18403	1.0
83.19695	0.9
85.02824	1.3
87.00752	1.0
93.03354	31.8
96.95927	2.4
109.02847	1.5
111.04442	5.4
119.19933	1.1
133.02867	4.2
134.03670	12.2
135.04456	14.7
137.02373	5.9
137.09613	1.6
139.19624	1.2
150.03175	1.2
151.03925	1.8
152.99504	2.8
155.03412	3.9
161.84505	1.1
165.12788	6.4
171.00549	2.8
173.04506	100.0
174.04878	3.3
178.02640	4.0
179.03474	3.0
185.79140	1.2
188.93541	1.1
191.05627	4.7
197.02206	4.9
247.20697	4.3
273.18658	2.2
291.19717	54.0
292.20053	7.6
307.08151	1.4
308.09131	3.6
315.12479	8.0
352.08060	8.4
387.44171	1.2
422.42831	1.5
489.16956	2.1
489.23096	3.1
490.25809	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	489.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08351	0.3
55.01777	0.4
57.03328	1.9
58.00481	0.5
59.01265	12.0
61.98709	0.8
67.01768	1.1
68.99698	1.0
69.03338	0.9
70.17007	1.5
71.01266	11.4
72.99193	4.1
73.02811	1.6
75.00762	14.4
77.03920	0.4
81.03345	0.8
83.01292	0.9
83.04922	0.7
85.02840	14.9
86.03172	0.4
87.00774	4.7
89.02335	2.7
91.05400	0.7
93.03349	2.6
95.01287	3.0
97.02842	0.8
98.68373	0.3
99.00774	8.1
101.02330	1.0
103.00262	1.5
109.02862	0.6
111.00764	0.8
111.04449	0.4
111.33298	0.4
113.02350	17.1
114.02691	0.5
115.00265	1.7
115.03905	0.4
117.01859	2.1
117.03368	5.6
121.02866	69.9
122.03181	2.5
124.27625	0.3
125.02274	0.4
129.01826	1.2
130.99753	0.5
134.03650	1.2
135.04486	1.8
139.00267	0.7
153.74791	0.4
157.01375	0.4
162.03166	0.6
173.04512	3.6
175.02522	2.4
175.03883	0.7
181.06499	0.7
189.03978	0.8
191.05537	0.9
207.76245	0.4
225.05585	0.5
231.05090	4.3
249.06177	36.3
250.06470	2.4
253.18118	0.4
258.06882	1.8
290.03952	0.6
291.04962	4.2
311.07632	0.4
315.12378	2.2
319.04419	8.5
327.21896	0.6
353.08948	2.9
367.10593	0.7
371.09888	100.0
372.10202	10.4
489.14017	9.3
490.14349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.105
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03333	0.5
58.81646	0.2
59.01264	61.1
60.01604	0.6
61.98727	0.3
63.02280	0.3
65.00230	0.6
68.99701	0.5
69.03328	0.4
71.08147	0.4
73.02836	1.0
75.00787	0.7
75.17751	0.2
78.95779	0.2
83.01287	0.7
85.02853	0.6
87.00802	0.2
89.02356	0.7
89.03844	0.2
91.01785	0.3
93.03360	0.9
95.01296	0.2
96.95898	0.3
97.02831	0.2
99.00784	1.6
99.04432	0.3
101.02339	1.2
102.98512	0.4
104.26971	0.2
105.03372	0.4
107.01272	1.7
108.02121	0.3
109.02855	0.4
113.02365	0.9
114.01866	0.2
119.03435	0.4
123.04423	0.2
125.02418	0.2
132.02095	1.5
133.02884	1.3
135.00815	1.3
135.04410	0.4
143.04980	0.4
145.02885	0.3
149.02452	0.2
151.00330	2.3
152.01003	0.2
153.01840	0.2
157.06535	0.4
159.04449	0.5
161.02425	0.5
161.04524	0.6
163.00337	1.2
164.01068	0.6
167.03525	0.4
167.04938	0.4
169.01404	0.6
169.06551	0.3
171.04506	0.4
172.05247	0.2
173.04501	0.7
173.17601	0.2
177.01892	10.8
178.02223	0.6
179.05588	0.4
183.04532	0.7
185.06091	1.0
187.03970	1.3
189.05472	0.4
191.05515	1.0
195.04617	0.2
196.05299	0.2
197.06062	0.6
199.03995	0.6
200.04707	0.4
207.13834	0.3
209.00859	0.3
211.03992	2.0
212.04550	0.2
213.01976	0.3
213.05563	0.8
223.13217	0.2
227.03505	32.1
228.03842	2.5
229.05055	4.7
230.05324	0.2
239.03551	1.2
240.04245	0.6
241.05042	0.8
255.03029	67.9
256.03522	8.7
257.04581	3.4
258.04898	0.2
267.02966	0.3
283.02512	0.8
283.05328	0.3
284.03323	100.0
285.03992	35.5
286.04480	2.6
297.04001	0.3
327.05194	0.7
369.19156	0.4
387.20300	0.5
429.08264	0.3
429.21140	0.6
445.20773	0.8
447.09158	1.4
448.09271	0.2
489.10474	50.9
490.10880	8.2
490.16895	0.2
490.18130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.0
61.98723	0.5
71.01281	1.2
71.59646	0.5
74.14718	0.3
78.95794	7.9
78.96220	0.6
87.00841	0.3
93.03368	1.4
96.96837	0.5
97.06509	0.5
111.04415	0.4
117.35044	0.3
119.04989	0.4
121.02849	0.4
121.95882	0.4
122.00056	0.4
125.06022	1.0
127.11191	0.5
133.02910	0.5
134.03700	1.1
135.04439	1.3
137.02388	0.7
140.01120	3.7
148.08910	1.3
150.10466	1.2
151.11192	0.8
152.99529	1.1
161.02426	0.3
162.03256	0.4
163.11285	0.8
165.12798	22.2
166.13142	1.5
173.04527	4.5
175.11179	0.7
176.12001	0.4
177.01945	0.3
177.12822	0.5
178.02689	0.4
191.05591	0.4
191.14397	0.5
196.03758	1.7
214.04822	5.3
217.15892	0.6
247.20717	10.6
248.21046	0.9
253.18060	0.4
273.18643	5.4
274.19147	0.5
291.19727	100.0
292.20071	11.6
315.12445	2.1
327.22000	0.5
344.95227	0.3
383.69815	0.3
488.24240	22.7
489.24670	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	489.1052
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.33835	0.1
57.03345	0.4
59.01265	11.5
61.98702	0.2
63.02274	0.3
65.00217	0.5
68.34062	0.1
68.99689	0.2
69.03348	0.2
70.04016	0.1
71.22197	0.4
73.02844	0.4
82.15258	0.1
83.01302	0.6
85.02849	0.4
87.20956	0.1
89.02343	0.3
90.77169	0.2
91.01789	0.4
93.03347	1.4
95.01270	0.2
97.02894	0.2
99.00789	0.8
101.02355	0.5
107.01310	2.1
108.02075	0.2
109.02885	0.7
112.03370	0.2
113.02343	0.3
113.33761	0.2
117.03376	0.3
119.03425	0.2
125.02332	0.2
132.02121	1.3
135.00803	1.6
143.04980	0.9
145.02937	0.3
145.06541	0.2
151.00311	1.8
153.01852	0.4
154.04219	0.2
155.04903	0.3
157.06528	0.5
158.03566	0.2
159.04443	1.1
161.02402	0.2
161.04544	0.2
163.00322	2.5
164.01047	0.5
165.01920	0.3
167.04982	0.4
169.01448	0.2
169.06554	0.5
171.04456	0.6
173.04503	0.3
173.05959	0.2
174.03191	0.2
177.01884	0.5
179.05577	0.2
183.04448	0.9
185.02455	0.4
185.06029	1.7
186.06297	0.2
187.03952	2.5
189.05516	0.7
190.99887	0.4
195.04517	0.6
196.05269	0.2
197.06070	0.9
199.03967	1.1
200.04752	0.5
201.05539	0.7
209.00882	0.3
211.03978	3.0
212.04510	0.6
213.05565	1.5
223.04007	0.3
227.03500	30.6
228.03899	3.1
229.05069	9.8
230.05360	0.8
239.03479	2.0
240.04306	0.9
241.05040	1.3
243.03070	0.2
255.03026	63.5
256.03506	8.5
257.04596	5.4
258.05063	0.4
267.02988	0.8
283.02493	0.9
283.05576	0.2
284.03323	85.0
285.04065	100.0
286.04449	8.7
297.04108	0.2
327.05237	0.6
389.22037	0.2
489.10480	45.9
490.10840	6.6
511.30075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56456	0.8
58.27991	0.6
59.01260	5.0
61.98713	1.9
69.03337	1.0
70.35355	0.7
71.01258	1.3
71.58583	0.7
71.59016	1.3
72.30068	0.7
78.95795	27.6
87.00809	1.0
93.03352	3.2
106.50185	0.7
119.29362	0.7
125.05964	0.9
134.03654	2.5
135.04433	1.9
137.02396	0.9
140.01128	9.0
150.10399	1.3
152.99503	2.1
162.03200	3.1
162.83882	1.4
163.11160	0.7
163.64630	0.8
165.12798	25.4
166.13112	1.6
173.04518	12.2
175.11188	1.0
176.12059	0.9
196.03799	14.8
201.11256	0.9
211.13220	0.7
214.04904	4.4
224.34378	0.9
247.20686	13.7
248.21173	1.2
273.18625	5.9
274.18771	0.8
291.19736	100.0
292.20071	10.5
315.12540	5.1
325.20251	0.9
347.17712	1.2
386.01831	0.8
387.70358	0.9
488.24316	59.8
489.24561	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09792	0.3
56.00025	0.3
57.03334	2.8
59.01264	100.0
60.01606	1.3
61.98708	0.6
69.03350	1.9
69.59698	2.3
71.01270	7.2
73.02828	4.1
76.03847	0.3
81.20122	0.4
83.01289	1.5
83.04918	0.4
85.02844	2.4
87.00791	0.8
89.02328	1.6
93.03369	0.9
95.01309	0.4
97.02867	0.8
98.19849	0.3
99.00788	0.9
99.04430	0.6
101.02356	4.6
108.02094	0.5
109.02844	0.7
109.06516	0.4
113.02351	1.7
113.06009	2.4
113.06721	0.4
113.80753	0.3
119.03444	1.3
125.02388	0.5
131.03471	0.5
134.03697	0.7
135.04495	0.4
135.08122	0.5
137.09691	1.3
139.07623	0.6
141.01889	0.4
145.02867	0.4
149.04512	0.4
151.00352	0.4
151.07622	1.0
152.01271	0.4
153.01918	0.4
153.09154	6.0
161.04538	1.6
163.11276	0.8
165.09157	3.7
173.04552	2.6
177.12891	0.6
179.05504	0.4
185.00987	1.0
187.11292	1.4
191.05566	6.8
191.07144	0.5
192.06026	0.4
193.12373	0.4
193.81760	0.4
195.14006	0.3
200.33885	0.4
203.05608	1.9
205.12291	3.9
208.10999	0.7
221.11885	0.8
223.13400	30.6
224.13698	2.7
247.92307	0.3
276.23285	0.4
308.29126	0.4
335.02182	0.5
367.17825	1.1
401.18481	0.8
443.19238	6.7
443.25244	0.4
444.19687	0.8
487.08633	0.7
487.18326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02062	0.2
57.03322	0.5
59.01265	100.0
60.01598	0.9
61.98716	10.8
68.95805	0.3
68.99696	3.3
69.03347	0.6
71.01272	6.8
71.33301	0.7
73.02833	7.4
83.01280	2.1
85.02844	1.9
87.00818	0.6
89.02345	3.2
91.50799	0.4
93.03362	0.6
95.01307	0.7
99.00779	9.1
99.04436	0.3
100.01131	0.3
100.46357	0.3
101.02347	7.2
103.11447	0.3
113.02357	4.6
113.03078	0.4
117.01820	0.3
119.03429	1.3
121.06518	0.5
125.02422	0.4
131.03453	0.8
137.13211	0.3
143.03432	1.1
149.04503	1.0
153.09210	0.4
155.03488	0.3
161.04491	3.9
163.11229	4.1
173.04514	0.7
175.11226	1.9
177.58386	0.3
178.05019	0.3
179.05557	0.5
187.11275	1.1
191.05608	0.9
200.75864	0.5
203.05614	0.9
205.12321	13.1
206.12708	0.9
207.14040	0.5
209.11888	0.9
221.06718	0.8
223.13478	1.0
257.69818	0.3
263.07809	0.6
265.14575	0.6
302.29422	0.4
367.17700	0.6
385.18704	0.4
427.19919	2.7
428.20242	0.5
443.19003	0.4
487.20624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82813	0.4
59.01266	4.3
67.53599	0.4
67.87888	0.4
70.86297	1.2
71.00896	0.8
71.01270	11.2
71.63822	0.4
72.99190	3.2
73.02858	0.8
74.02364	1.0
84.04441	0.8
85.02865	0.9
87.00764	3.0
87.84885	0.4
89.02354	1.6
101.02329	2.3
102.05511	37.4
108.60694	0.4
111.00788	1.2
113.02384	0.9
115.00281	4.6
116.03441	0.7
119.03458	0.6
122.25834	0.4
128.03461	30.1
129.01846	2.3
129.03786	0.9
133.01373	2.4
145.01318	2.0
145.02893	0.9
145.06143	3.1
146.04529	100.0
146.93364	1.1
147.02945	10.9
147.04793	3.4
147.06618	1.0
166.90990	0.4
167.65147	0.5
173.04556	1.0
179.05585	0.5
181.54720	0.4
191.05562	1.4
203.75711	0.4
214.92638	0.4
237.48587	0.4
295.99466	0.4
335.93106	0.4
341.10934	4.2
353.08820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.0
57.03338	7.4
59.01265	100.0
60.01586	0.9
62.56482	0.7
68.08266	0.6
69.03342	1.5
70.29765	0.6
71.01272	19.3
72.40112	0.6
72.99203	1.3
73.02838	29.1
75.00790	0.7
83.01278	7.9
85.02850	3.1
87.00784	0.9
89.02328	4.9
93.03374	1.4
99.04423	3.8
101.02345	22.5
104.44529	0.9
111.00836	0.7
113.02367	3.8
119.03404	1.8
123.04438	1.1
125.02384	2.7
129.07050	1.6
131.03458	1.6
136.05328	0.9
143.03438	1.3
150.06781	1.2
151.07605	3.3
159.11784	5.4
161.04541	3.9
162.06871	1.1
163.07596	4.3
171.10399	0.7
173.04529	2.1
175.11290	1.3
177.12772	2.2
179.05611	1.0
180.07922	1.5
181.08664	13.0
188.88185	0.7
191.05644	2.0
209.12032	0.9
221.11830	8.2
221.13422	0.7
246.59587	0.7
264.47226	0.8
311.88080	0.8
325.13120	1.6
389.49216	0.8
401.18097	4.2
431.06921	0.7
443.19302	27.6
443.25201	1.7
444.19522	4.2
487.17651	0.7
495.59689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89858	0.4
57.03336	0.6
59.01264	100.0
60.01594	0.9
62.92733	0.5
69.03331	2.7
71.01269	21.5
71.58247	0.6
72.99205	1.1
73.02836	27.8
74.03181	0.6
75.00781	1.9
81.03349	0.7
83.01272	9.2
85.02848	3.4
87.00792	1.3
89.02339	5.7
93.03368	1.5
95.01257	1.1
96.95944	0.8
97.02872	1.4
99.00815	1.6
99.04434	0.8
101.02343	24.7
107.13611	0.5
113.02351	5.5
114.82745	0.5
119.03445	2.6
125.02383	1.3
127.59571	0.5
131.03455	1.9
134.03687	0.6
143.03470	2.3
149.04480	2.8
153.09171	2.1
155.03473	0.6
161.04515	8.2
173.04515	2.7
177.12947	0.5
185.00957	1.3
191.05569	11.1
192.06044	0.8
203.05618	1.1
205.12270	1.1
223.13464	1.2
269.04736	1.0
305.17285	0.5
313.03647	1.1
348.46588	0.5
367.17844	0.7
401.18195	4.1
411.16577	0.7
427.20117	1.5
443.19299	39.2
444.19513	4.8
444.24432	0.4
487.18268	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.3
57.03344	0.6
59.01265	100.0
60.01600	0.9
69.03348	0.4
69.28790	0.3
70.78468	0.5
70.78875	0.6
71.01275	6.8
73.02837	4.6
75.22381	0.3
82.70482	0.3
83.01259	1.5
85.02833	1.7
87.00806	0.5
89.02340	1.7
93.03385	0.5
95.01299	0.7
97.02841	0.5
101.02342	4.2
113.02354	4.8
118.35970	0.3
119.03425	1.0
123.08094	0.5
131.03416	0.7
136.05219	0.5
138.06815	2.3
139.07538	0.3
143.03459	0.5
149.04507	0.6
151.07590	2.0
152.08374	5.0
153.09158	12.6
154.09444	0.6
161.04535	2.4
163.11252	0.4
173.04602	0.3
189.33299	0.3
203.05620	0.5
205.12323	5.9
206.12694	0.7
221.06633	0.5
221.11874	0.6
223.13393	2.9
224.13486	0.3
367.17670	16.4
368.17969	1.8
385.18796	2.4
386.19104	0.5
427.19769	8.2
428.20569	0.9
443.19611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34570	0.7
55.01763	1.1
58.00476	1.6
59.01266	100.0
60.01608	1.4
69.03365	2.7
69.52176	4.6
69.52589	1.5
71.01273	48.9
72.99216	1.2
73.02837	83.5
74.03171	2.0
75.00796	1.4
83.01277	24.3
85.02867	3.7
87.00766	1.7
89.02346	9.7
95.01311	0.9
97.02872	1.0
99.00804	1.5
101.02349	59.4
102.02705	1.3
113.02362	10.4
118.53223	0.8
119.03440	4.9
125.02408	2.0
131.03392	4.1
137.26350	0.7
143.02512	0.7
143.03442	4.7
145.02972	0.7
149.04485	5.3
155.03462	1.7
159.11772	1.1
161.04509	13.4
161.07242	0.8
173.04500	0.8
187.51999	0.7
203.05643	1.0
221.06876	1.1
221.11824	8.0
232.80011	0.9
253.69380	0.9
401.18262	6.7
402.18539	1.5
443.19308	43.3
444.19705	6.3
487.18130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07261	0.5
55.01781	1.0
57.03333	1.7
58.00487	0.6
59.01265	100.0
60.01612	0.9
61.65648	0.4
61.98722	0.7
62.64262	0.5
67.01791	0.5
69.03338	1.4
69.55810	3.4
71.01271	30.5
72.01607	0.7
72.99201	1.8
73.02837	39.7
74.57971	0.4
75.00793	0.8
80.09837	0.5
83.01279	11.2
85.02851	6.1
87.00780	1.6
89.02345	8.7
93.03390	1.2
95.01283	0.8
97.02886	1.0
99.00803	1.2
101.02351	33.0
102.02661	0.7
109.02887	0.7
111.04462	0.5
113.02359	9.2
114.02661	0.6
119.03420	2.7
123.08061	0.9
125.02376	1.5
127.03991	0.6
131.03415	2.6
134.03648	0.7
137.02330	0.6
137.09651	2.6
143.03445	2.2
149.04500	2.2
149.66612	0.4
151.00375	0.7
153.09171	1.9
155.03421	1.0
161.04506	7.7
173.04532	2.8
177.12852	1.7
178.99785	0.7
179.05621	0.8
185.00941	0.5
190.95656	0.4
191.05594	8.9
192.05943	0.5
195.13834	0.7
203.05632	0.7
205.12323	7.6
206.12749	0.9
221.06667	1.0
221.11877	1.0
221.59381	0.4
223.13396	1.7
342.05380	0.4
367.17584	2.9
385.18661	1.6
401.18274	15.2
402.18640	1.8
427.19995	2.7
443.19302	77.2
444.19699	9.4
451.33401	0.6
487.30643	28.3
488.17490	0.5
488.30969	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	487.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07517	0.2
59.01265	6.5
62.12735	0.2
69.03322	0.3
70.13616	0.8
71.00896	0.4
71.01274	5.7
72.00685	0.2
72.99220	0.3
73.02817	1.0
83.01277	0.7
85.02858	0.7
87.00770	0.3
89.02338	5.6
93.03366	0.4
95.01290	0.5
99.00784	0.2
101.02349	2.8
113.02361	2.1
117.03379	18.6
118.03711	0.8
119.03452	1.7
119.04945	3.4
131.03429	0.3
143.03383	0.3
145.02888	100.0
146.03233	5.3
152.90381	0.2
161.04501	0.6
163.03960	6.2
164.04286	0.5
173.06010	0.2
179.05621	0.9
217.04938	0.2
235.06163	0.6
307.08270	1.8
341.10959	1.9
421.49707	0.2
443.19226	0.5
487.14688	15.6
488.14966	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	485.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.5
59.01264	52.2
60.01627	0.9
61.98718	1.0
63.30633	0.6
67.01769	2.4
69.03330	2.5
71.01272	7.2
72.99194	1.7
73.02839	3.2
75.00757	0.8
78.95794	0.9
81.03353	0.8
83.01254	1.6
83.04892	1.3
85.02849	8.0
87.00768	2.0
89.02338	3.1
93.03358	13.1
95.01270	1.6
95.04835	0.5
96.53369	0.5
96.96880	0.6
97.02891	1.0
97.06486	1.6
99.00813	0.7
99.04408	1.0
101.02354	4.4
104.61703	0.6
107.04928	0.9
108.02082	1.2
109.02879	8.9
109.06504	0.7
111.04449	3.8
113.02340	4.3
119.03408	1.6
119.08576	0.8
121.02859	2.0
123.04459	1.4
123.08143	0.9
125.02339	0.7
125.05963	3.1
131.37311	0.6
134.03671	28.0
135.04506	5.8
135.08037	0.7
136.01596	5.6
136.05222	2.4
137.02376	4.8
139.07578	0.9
142.05171	0.5
143.03502	0.7
147.02943	0.9
148.05251	0.7
149.06056	0.8
151.03958	4.3
151.07584	2.1
152.08372	1.8
153.09090	1.0
155.03467	3.3
161.04453	1.5
161.05782	0.6
161.09676	1.3
163.07558	1.3
164.08372	0.8
165.01904	0.7
165.09152	0.6
171.08084	0.8
173.04523	37.4
174.04834	0.9
175.07558	0.8
175.11156	1.0
178.02644	0.7
179.10724	0.7
185.09685	0.7
188.08337	0.9
189.09006	1.7
191.01964	1.8
191.05608	12.9
195.02995	1.5
201.12836	7.6
203.10770	6.7
204.11536	16.7
205.12006	1.6
206.09505	0.6
219.10387	1.5
219.13901	19.3
220.14255	1.6
221.11877	4.5
228.11621	0.7
231.10320	4.3
243.13953	1.1
245.11905	3.0
263.12933	100.0
264.13275	8.8
277.14459	0.7
287.12952	3.6
293.10413	6.2
294.10608	0.7
305.14014	4.7
311.11438	10.1
312.11694	1.1
425.17996	0.9
437.14749	1.9
441.17664	1.8
455.15210	0.9
467.15778	9.9
468.16226	1.6
485.16010	5.2
486.16745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1835
Annotation	Callophycoic acid G
Peak:m/z	Relative Intensity
55.01781	1.1
57.03336	3.2
59.01266	100.0
60.01587	1.3
69.03356	0.9
70.40839	2.2
71.01272	19.2
71.65515	0.6
72.99203	1.1
73.02837	12.7
74.03197	0.7
83.01270	4.4
85.02850	8.1
85.99982	0.6
87.00785	1.6
89.02329	5.5
94.27958	0.5
95.01279	1.0
97.02895	0.6
99.00777	3.2
101.02354	16.2
102.02630	0.7
113.02364	8.9
119.03424	2.2
123.08058	3.4
125.02412	0.7
143.03432	0.8
160.24208	0.6
161.04550	2.3
161.09581	0.7
173.04555	0.8
177.12801	4.2
187.11308	1.2
191.05563	1.3
192.64195	0.6
193.12442	0.8
195.13956	2.2
205.12421	2.5
221.11838	2.9
223.13432	1.3
269.04605	4.2
357.19495	0.9
401.18246	12.4
401.23203	0.6
402.18665	1.3
427.20203	0.8
443.19327	66.0
444.19662	9.0
456.08517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70136	0.3
55.01762	0.3
57.03336	0.5
59.00997	0.4
59.01270	3.4
61.98710	0.9
65.22614	0.2
69.03343	0.4
71.01273	2.9
71.57803	0.3
73.02836	1.3
73.58206	0.2
75.50861	0.2
78.95809	0.7
83.01280	1.0
85.02835	1.4
87.00779	0.3
89.02362	0.3
93.03352	0.6
93.07109	0.2
95.01266	0.4
96.95928	0.3
96.96876	0.4
97.02859	0.4
97.69567	0.3
99.00770	0.5
101.02341	1.4
102.47183	0.3
113.02364	0.8
128.10750	0.4
130.08665	100.0
131.09004	3.1
152.01086	0.3
173.04523	1.0
185.00821	0.3
193.90334	0.3
202.69733	0.2
262.21942	0.4
265.78079	0.2
268.43808	0.3
277.93903	0.2
325.20279	0.5
333.66006	0.3
341.15430	0.3
486.27200	64.5
487.27570	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	486.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	4.2
58.02835	1.7
59.01266	100.0
61.98733	3.5
64.14369	1.4
68.01305	1.5
69.03326	1.5
71.01269	21.4
72.99193	3.2
73.02833	9.0
75.00767	3.4
78.95805	9.3
81.03353	1.9
83.01266	3.7
84.01905	1.7
85.02853	9.8
87.00768	4.3
89.02332	15.2
93.03348	6.6
94.02864	1.5
94.03703	1.4
95.01306	3.3
96.95920	14.9
96.96854	10.8
97.02837	1.6
98.02380	86.9
98.95473	4.8
98.96168	1.5
99.00780	5.4
99.01900	10.1
99.02666	3.2
101.02356	25.8
102.01840	2.3
109.02896	2.0
110.02387	5.5
111.00758	2.6
111.04412	1.8
113.02361	12.5
115.91942	3.5
117.92781	1.6
119.03431	4.5
123.08083	2.8
131.03482	2.1
134.03648	3.5
135.04424	2.4
136.01588	1.8
136.03909	2.1
137.02351	3.0
139.07568	2.8
151.00299	1.8
152.03499	1.9
152.99541	5.2
159.02937	2.3
161.04483	5.0
164.03409	3.7
171.10269	9.2
173.04501	20.1
174.04816	4.8
177.09113	2.1
178.99849	1.9
179.05605	5.2
182.48303	1.5
182.50101	1.7
185.00948	2.1
191.05544	4.1
192.06027	1.8
195.04790	1.6
205.12332	3.5
206.09000	3.0
221.11821	4.0
223.13353	2.1
246.14949	4.8
247.15498	1.7
250.11646	3.2
264.16086	6.7
267.61588	1.6
294.10675	1.8
345.90872	1.4
381.08206	1.6
432.45905	1.6
443.19470	11.6
468.15820	3.3
486.17065	5.0
486.23941	2.4
487.16156	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2039
Annotation	4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Peak:m/z	Relative Intensity
52.91051	0.1
53.05589	0.2
57.03337	0.8
59.01263	100.0
60.01595	1.2
61.29168	0.1
64.83164	0.2
69.03355	1.2
70.47223	0.5
71.01267	1.3
71.04887	0.2
72.99194	0.4
73.02845	0.6
75.00768	0.4
78.95790	0.8
83.01268	0.3
85.02838	1.8
86.39793	0.2
87.00790	0.3
89.02359	0.6
93.03357	1.3
96.23091	0.2
96.30420	0.1
96.96886	0.2
97.02869	0.6
99.00796	0.6
99.04430	0.3
101.02338	1.1
109.02861	0.2
111.00823	0.2
111.04450	0.4
113.02349	0.8
114.99227	0.2
115.03886	0.2
117.05537	0.4
119.03397	0.2
121.02890	0.2
123.04391	0.2
125.02325	0.2
129.01860	0.2
134.03685	0.7
135.04463	0.5
137.02400	0.4
141.01894	0.2
151.03941	0.3
155.03432	0.3
160.01784	0.2
161.04472	0.4
173.04514	4.5
174.04930	0.2
179.05507	0.2
185.00861	0.9
187.07629	0.3
191.02007	0.5
191.05513	0.8
221.11855	0.3
224.04039	0.2
231.10397	0.2
267.07520	0.2
317.19870	0.2
367.12576	0.9
383.17078	0.2
425.18372	0.3
467.15628	0.2
485.16626	0.9
510.50482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.6
57.03328	3.8
58.00469	1.3
58.45319	0.8
59.01264	53.0
60.99164	0.9
61.14584	0.8
61.98712	1.6
67.01767	3.8
68.99689	3.9
69.03362	4.4
69.68491	1.5
69.68905	4.6
70.20259	0.8
71.00902	1.8
71.01273	29.8
72.99189	7.0
73.02446	1.7
73.02835	28.3
78.95788	6.0
81.03344	2.5
83.01275	9.2
83.04924	6.4
85.02846	16.3
87.00768	4.2
89.02342	5.4
91.05445	1.1
93.03360	27.8
93.06973	4.5
94.03696	1.2
96.95940	1.3
96.96865	1.6
97.02855	2.0
97.06464	1.6
98.20564	1.2
99.00775	10.4
99.04422	1.7
101.02348	20.0
106.87120	1.0
107.04896	1.2
108.02077	1.7
109.02862	16.0
111.00778	1.5
111.04426	8.7
113.02371	6.7
114.02769	1.0
119.03436	1.7
119.04951	1.8
121.02856	6.0
123.04445	1.9
125.02406	1.7
127.03971	1.4
129.01837	2.0
130.08638	3.6
133.10168	5.0
134.03661	53.2
135.04480	8.6
136.01588	10.9
137.02374	7.4
141.01862	1.1
145.06525	5.7
147.02934	1.3
149.04535	1.1
151.03943	9.3
155.03430	6.5
157.10172	2.1
159.08087	6.0
160.08878	50.4
161.04506	3.7
161.09218	2.6
173.04512	100.0
173.09628	8.2
174.04834	4.1
175.03828	1.0
175.11230	80.8
176.11574	6.9
178.02650	2.2
185.00829	2.7
187.07576	1.1
191.01904	4.3
191.05573	24.1
195.02940	2.7
201.09177	1.1
219.10265	97.7
220.10625	8.2
231.10231	11.5
232.10571	1.5
233.40176	1.0
259.12854	0.9
263.09109	1.2
293.10397	13.7
294.10757	1.8
311.11417	18.7
312.11823	1.9
324.14584	1.7
385.18695	2.2
397.24600	1.6
399.16602	11.7
400.17255	1.5
404.47858	1.1
437.14450	3.3
441.17761	49.0
442.17853	6.6
449.15109	1.2
467.15720	20.3
468.16040	3.7
485.16675	14.0
486.17264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1677
Annotation	Callophycoic acid B
Peak:m/z	Relative Intensity
55.01760	0.6
56.36043	0.4
57.03336	2.4
57.63553	0.3
58.00483	0.7
59.01265	14.5
60.32673	0.4
67.01767	0.9
68.99690	1.1
69.03376	0.9
69.03784	0.4
70.46830	0.8
70.47218	0.8
71.01268	13.9
72.99195	4.4
73.02831	1.4
75.00761	18.6
83.01276	0.9
85.02838	20.6
86.03188	0.4
87.00765	7.3
89.02343	3.9
93.03371	0.8
95.01285	5.1
95.04933	0.9
97.02814	0.5
97.66277	0.4
99.00779	11.0
101.02347	0.6
101.05982	100.0
101.69795	0.4
102.06306	3.0
103.00288	2.2
106.04151	0.4
107.04945	2.4
111.00785	0.6
112.01598	0.6
113.02355	22.2
114.02686	0.8
115.00297	1.6
117.01864	2.8
120.26050	0.4
121.02835	0.6
123.04436	9.9
129.01846	2.1
132.02107	0.5
133.02876	16.3
134.03255	0.6
149.68468	0.4
151.03940	3.1
157.01350	0.6
159.96179	0.4
173.04457	0.8
175.02458	2.7
181.45750	0.5
189.04037	0.6
193.03496	0.8
205.07129	0.6
231.05098	2.6
246.32619	0.5
249.06181	14.1
250.06578	0.7
267.07269	2.2
291.10925	1.2
309.13437	0.5
333.11984	4.5
351.13022	83.5
352.13388	8.1
385.44385	0.4
485.16730	66.1
486.17065	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	485.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00190	0.4
54.79826	0.3
55.01744	0.5
57.03341	2.2
59.01264	14.7
59.70765	0.4
60.01613	0.4
61.98709	0.7
67.01787	0.5
68.99698	1.1
69.03340	1.1
71.01267	13.8
72.99195	4.7
73.02840	1.9
75.00761	15.8
83.01260	0.9
85.02840	18.9
86.03161	0.5
87.00769	4.9
89.02328	3.3
91.01780	0.3
93.03358	0.9
95.01289	4.3
95.04913	0.6
97.02866	0.5
98.20587	0.8
99.00780	11.4
101.02340	1.2
101.05986	51.4
102.06342	1.3
103.00259	2.2
106.04149	1.3
107.04946	5.9
108.02078	1.2
111.00775	0.5
113.02356	18.8
114.02693	0.4
114.99567	0.4
115.00302	1.6
117.01855	2.6
121.02834	2.6
123.04440	7.9
129.01839	1.9
131.03441	0.9
132.02138	0.9
133.02887	15.6
134.03281	0.4
144.30785	0.4
147.33371	0.3
151.03957	10.5
152.04231	0.6
157.01369	1.1
173.04489	1.1
175.02449	3.0
185.00851	0.6
191.01909	0.4
193.03529	1.2
205.07130	1.4
223.08127	0.6
231.05106	0.6
249.06157	4.4
267.07202	3.1
291.11017	0.4
308.10703	0.4
309.13379	0.8
323.13028	0.8
333.11996	3.2
339.11002	0.5
351.13028	37.5
352.13385	3.6
356.01938	0.4
401.10913	1.9
425.14148	0.7
467.15448	1.9
468.15417	0.4
485.16736	100.0
486.17075	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	484.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85068	0.5
58.00492	0.9
59.01251	0.7
68.95071	0.6
69.03350	0.7
71.01269	16.0
71.56314	0.7
72.99196	1.8
74.95291	1.1
78.95790	2.3
84.02064	1.1
85.02853	0.6
85.99991	1.6
87.92427	24.6
87.92970	1.2
88.98719	1.2
89.02361	0.6
90.94772	2.1
96.96854	0.8
97.02852	1.3
99.00774	2.0
101.02345	0.6
103.91933	34.6
104.92713	30.7
105.93498	3.9
106.94257	1.3
110.89743	0.7
110.98438	0.7
111.00789	0.9
113.02415	0.5
113.93980	0.8
114.81462	0.5
114.94812	4.9
118.94296	0.8
119.91414	0.8
123.94576	16.6
128.96315	0.7
130.94287	6.5
134.26512	0.5
142.05069	0.9
144.88072	0.5
144.95833	0.7
147.94571	1.2
156.95850	1.1
158.93840	3.6
159.45479	0.6
168.95869	0.8
171.94601	100.0
172.95135	3.8
175.94092	1.2
184.95427	2.3
185.96159	2.5
197.96214	2.2
198.96965	1.8
199.94156	1.5
200.98499	0.7
201.92087	2.8
201.95683	29.7
202.96040	1.3
213.95642	3.1
214.96521	2.4
215.97206	1.6
216.98090	3.2
225.95718	2.7
226.96356	0.9
227.97240	1.8
229.95154	0.6
230.96049	1.3
231.96786	5.2
233.98189	1.1
234.99040	1.3
241.95239	1.3
243.96811	0.9
249.97842	6.6
250.98244	0.8
255.96765	2.4
257.98373	20.2
258.98862	1.8
271.96347	2.1
273.97913	6.0
274.98553	1.8
275.99353	1.8
276.11932	0.6
287.99438	5.8
299.99234	0.8
301.97397	1.5
303.98996	1.2
306.00418	5.3
318.00229	0.8
321.96487	1.1
321.99991	7.6
323.00394	0.8
340.00949	1.0
341.10901	1.0
361.99545	3.1
373.99557	2.2
378.02655	1.9
380.00372	0.9
392.00507	2.0
396.03687	37.9
397.03848	3.3
409.87515	0.6
410.01651	2.5
412.03238	10.8
415.23453	0.7
427.01871	1.9
484.01669	8.4
485.01819	1.3
495.49634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10241	0.5
55.01860	1.4
57.03119	1.1
57.03438	2.6
59.00855	1.6
59.01369	46.1
60.01694	0.8
61.98811	1.2
67.01858	1.1
68.99816	2.1
69.03039	4.0
69.03461	18.6
71.00950	2.9
71.01392	14.3
72.99324	3.5
73.02957	4.0
75.00420	2.7
75.00894	15.5
81.03451	1.1
83.01378	1.4
83.05014	1.2
85.02406	3.3
85.02984	21.0
87.00909	4.9
89.01891	0.8
89.02480	4.2
91.05515	1.0
93.03510	3.5
95.01429	5.0
95.58568	0.5
96.96008	0.6
97.02326	1.0
97.02994	6.0
99.00214	2.1
99.00928	17.6
99.04567	2.7
101.02509	2.0
102.99794	0.6
103.00426	1.6
109.02973	1.4
111.00919	0.9
113.01649	1.9
113.02514	22.3
113.28651	0.5
114.02814	0.7
115.00423	1.8
117.01903	2.7
117.03540	5.8
117.04745	1.9
117.05647	23.0
118.05945	1.1
119.03542	1.3
125.02470	0.8
127.04047	0.8
128.19386	0.5
129.02026	1.9
131.03496	1.1
134.03754	0.9
135.04604	1.8
141.02031	2.3
153.09248	0.6
157.01466	0.8
173.04498	9.3
174.05013	0.6
175.02603	2.2
179.03613	0.9
179.05620	0.6
179.07275	0.6
185.00873	20.6
186.01344	0.8
189.04158	0.9
191.02072	1.0
191.05759	2.1
193.03644	1.7
203.02031	1.4
205.07367	1.7
223.08199	0.8
231.05084	3.5
249.06183	36.6
250.06619	1.2
267.07263	5.8
279.73981	0.6
299.18866	1.7
309.08383	9.7
317.19653	3.8
323.22437	1.1
349.11377	5.6
350.24506	0.6
367.12518	100.0
368.12906	7.8
385.11374	1.8
385.18546	0.6
427.12720	0.7
467.15549	1.2
485.16528	33.5
486.16962	6.3
495.55331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2738
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
71.12152	0.2
71.12487	0.4
78.95795	7.4
86.95655	0.2
94.53992	0.2
96.96872	0.5
132.64072	0.2
140.74429	0.2
152.99530	14.5
153.99902	0.5
171.00601	1.1
227.03270	3.0
237.22272	0.3
245.04381	1.5
246.04602	0.2
247.04965	0.3
247.95992	0.2
249.21265	0.2
255.23328	100.0
256.23666	10.4
401.67859	0.2
473.05975	0.2
483.27371	32.3
484.27734	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	483.2738
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
65.77035	0.3
70.61212	1.1
70.66154	0.3
78.95794	17.6
85.60405	0.3
89.53076	0.2
96.96855	2.0
98.20502	0.3
150.97940	0.5
152.99522	29.0
153.99898	0.6
156.21635	0.3
170.18379	0.4
171.00584	1.2
227.03268	4.1
245.04364	1.1
255.23337	100.0
256.23685	9.5
315.92584	0.3
391.22577	0.6
483.27399	57.8
484.27725	8.9
484.34775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27340	0.2
59.01263	1.5
61.98714	0.5
64.93616	0.2
69.46777	1.1
69.47193	0.5
71.01263	0.8
72.99187	0.2
73.37637	0.2
78.95792	11.2
79.95630	2.0
83.26682	0.2
85.02856	0.5
87.00793	0.3
89.02338	0.7
93.03368	0.6
94.02861	0.2
95.01235	0.2
96.95915	100.0
96.96837	22.3
97.95841	0.5
98.02375	10.2
98.20592	0.4
99.00780	0.2
101.02354	0.7
108.04459	0.3
109.02895	0.4
110.02347	0.2
113.02310	0.4
119.03400	0.2
122.02385	0.3
134.02415	0.2
135.04472	0.3
137.02336	0.2
141.01910	0.2
152.01114	0.3
159.02910	0.3
161.09691	0.2
173.04524	1.7
174.03160	0.2
175.07791	0.2
177.01868	0.6
179.05582	0.3
189.06633	0.2
191.05566	1.9
191.07144	0.3
203.07069	0.2
244.13445	0.4
247.09746	0.6
262.14490	0.4
282.04089	0.2
291.08826	0.2
300.02948	0.2
301.08487	0.2
309.09799	0.3
339.07379	0.3
483.13367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04897	0.1
62.56719	0.1
63.21140	0.1
70.34731	0.3
70.35097	0.2
71.01270	0.1
81.00173	0.1
108.54877	0.1
121.02909	0.1
170.07329	0.4
171.04448	0.2
184.05188	0.1
193.06584	0.4
194.07339	3.4
195.07683	0.2
197.06071	2.2
198.06836	0.9
199.07452	0.2
206.07353	3.6
207.07715	0.3
209.06096	0.3
217.06583	1.4
218.05716	0.1
218.07347	8.0
219.07970	1.5
221.06081	22.7
222.06564	2.8
223.06946	0.1
230.07329	0.4
231.08145	1.0
232.08884	0.3
233.09727	0.7
234.06882	0.2
245.06099	0.5
246.06505	0.1
247.07619	0.3
249.05600	0.5
249.09251	4.7
250.06351	1.6
250.09497	0.5
251.06718	0.1
259.07751	0.1
262.06436	0.4
275.07184	0.1
276.07935	0.2
277.08743	100.0
278.09079	10.7
289.05121	9.4
290.05502	1.2
321.07715	1.8
322.08060	0.2
483.13129	2.8
484.13525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59008	0.2
57.03345	0.4
59.01264	2.0
61.83080	0.2
61.98721	0.6
69.03345	2.3
71.01279	1.1
71.07067	0.7
73.02827	0.3
78.95798	0.8
80.09685	0.2
85.02843	0.7
89.59531	0.3
93.03374	1.2
94.03708	0.3
96.95892	0.3
97.02866	0.6
99.00777	0.8
99.04449	0.3
100.38697	0.3
101.02341	0.7
108.02087	0.7
109.02861	0.5
111.01927	0.8
111.04417	0.4
113.02349	0.7
114.26730	0.3
131.68683	0.2
133.02888	0.8
134.03654	0.8
135.04448	0.6
137.02374	0.4
146.66983	0.2
149.02313	0.3
152.01134	0.8
153.01849	0.3
155.03438	0.2
160.01601	0.4
161.02374	1.6
170.07350	0.7
171.04413	0.5
173.04518	3.5
174.04840	0.7
175.05077	0.3
178.02615	0.6
179.03360	0.5
185.00876	1.7
191.05576	1.1
193.06601	0.9
194.07339	3.4
195.07808	0.4
197.06052	3.8
198.06816	2.4
199.07553	0.6
206.07353	5.4
207.07683	0.4
217.06596	7.3
218.07339	6.6
219.07985	2.0
221.06075	35.1
222.06512	4.3
223.06982	0.3
230.07404	0.5
231.08060	1.7
232.08722	0.8
233.06172	0.4
233.09732	1.1
234.06972	0.4
245.06105	5.4
246.06395	0.8
247.07654	0.7
249.05525	0.6
249.09248	7.0
250.06364	2.1
250.09563	0.8
251.06750	0.3
262.06320	1.6
263.54355	0.3
275.09625	0.3
276.07813	0.4
277.08737	100.0
278.06815	0.2
278.09073	10.2
289.05124	49.1
290.05426	4.9
321.04370	0.5
321.07639	1.2
439.15955	0.7
483.12799	1.2
483.18939	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	481.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35054	0.5
55.05217	0.6
67.27628	0.5
70.83784	1.9
78.95792	37.3
96.96856	3.2
100.52083	0.6
130.67207	0.7
150.98021	0.6
152.99527	56.0
153.99841	0.8
171.00597	15.2
176.39473	0.6
227.03310	3.5
245.04349	100.0
246.04721	4.6
253.21767	58.5
254.22095	6.5
331.25629	0.7
426.98370	0.6
481.25839	49.8
482.26212	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	481.185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34166	0.9
56.81989	0.9
57.03338	1.7
59.01267	22.1
61.98684	1.5
63.31544	0.8
69.03342	1.7
69.10778	0.8
69.92522	3.2
69.92947	1.8
71.01268	12.5
73.02829	1.8
75.00793	1.0
75.73107	1.1
79.66155	0.8
81.03362	1.2
83.01292	2.2
83.04914	2.2
85.02843	9.4
87.00747	1.7
88.01591	0.8
89.02335	7.5
91.53841	0.9
93.03351	4.4
94.85498	1.0
95.01238	1.3
98.20486	1.1
99.74814	0.9
101.02369	7.2
101.02972	1.5
106.06548	1.5
109.02864	2.1
111.00733	1.2
111.04422	2.0
111.54241	0.8
113.02373	7.7
119.03407	2.0
120.04472	1.1
122.06003	0.9
124.07600	4.8
125.02412	1.3
129.01840	2.0
132.04469	4.2
136.07613	6.6
138.05562	2.5
142.95810	0.9
146.03632	1.3
151.00357	2.3
153.01843	1.8
155.03438	2.2
158.03668	2.7
159.04430	2.9
161.04495	2.3
163.03903	0.9
164.45485	0.9
172.05229	1.5
173.04520	13.0
173.05923	1.4
174.04974	1.0
175.07542	1.5
178.99855	2.0
179.05592	1.3
180.06657	1.6
183.02914	0.9
184.09274	0.9
187.07628	13.9
188.07985	1.4
191.05589	24.9
192.05937	3.3
200.09512	4.5
201.09543	1.5
201.11317	15.5
202.06297	2.9
203.10844	2.5
209.11845	30.8
210.12146	1.7
212.09489	9.8
214.11064	5.5
215.11885	27.3
216.12181	1.9
218.11865	2.2
219.10268	1.0
223.04543	1.1
225.10255	1.4
226.11113	11.1
227.11847	49.1
228.12201	4.8
229.13477	23.0
230.13724	1.3
231.10237	8.1
239.11958	3.5
241.09906	1.2
242.10442	2.4
243.11378	1.4
253.09312	9.9
254.10065	0.9
255.11469	2.5
256.12054	1.3
257.13000	68.0
258.13416	7.0
259.10944	12.5
260.11316	1.9
273.12595	1.8
275.09329	40.6
275.13907	2.1
276.09668	2.9
284.11713	3.0
285.12482	2.9
287.14233	1.0
301.12012	44.8
302.12271	4.2
307.11951	1.6
309.03909	1.2
315.13599	11.4
316.13922	1.1
319.13058	100.0
320.13422	9.8
343.13092	11.8
361.14218	12.6
362.14441	1.4
403.15396	1.0
421.16339	5.6
437.20691	1.3
449.14603	11.6
450.15082	1.9
462.05750	1.2
462.23709	1.2
463.17230	2.7
481.10617	4.7
481.18405	91.3
482.18774	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	481.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04203	0.7
53.42031	0.7
54.33084	0.7
56.31037	0.7
57.73193	0.7
59.01263	8.0
69.03316	0.8
71.01265	4.6
75.00771	2.0
83.10149	0.7
85.02850	1.9
86.08651	0.8
89.02351	2.8
93.03365	1.0
95.01283	1.0
97.01620	0.8
101.02356	2.1
106.06523	1.4
110.32293	0.7
113.02348	3.1
118.76834	1.0
119.03446	0.9
120.04455	1.1
120.91975	0.7
122.06040	2.5
124.07612	4.1
132.04472	4.3
134.05998	1.0
135.04439	1.1
136.07603	5.6
144.20659	0.8
170.31520	0.7
173.04518	3.2
191.05595	1.9
200.09511	0.9
211.08768	0.9
212.09462	3.8
213.10281	1.3
214.09319	0.9
214.10912	4.7
215.11877	9.7
216.12312	1.1
218.11990	4.8
224.09569	0.8
225.10394	1.5
226.11143	5.1
227.11894	27.3
228.12364	1.8
229.13475	18.6
230.13811	1.5
239.11963	1.8
240.08929	1.0
242.10574	2.3
243.11404	1.1
255.11342	1.9
257.12988	43.7
258.13281	3.5
259.10980	3.4
267.11337	0.9
273.12579	1.6
275.14111	5.5
284.11761	2.0
285.12561	1.5
297.12491	0.9
301.12012	12.5
302.12234	2.2
315.13611	7.7
319.13046	100.0
320.13351	9.5
343.12988	7.3
361.14105	24.1
362.14319	2.5
391.15247	1.7
421.16016	1.9
481.18298	7.4
482.18405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21271	0.3
57.03339	0.6
59.01265	1.9
61.98677	0.4
67.01776	0.5
69.03335	0.7
69.63883	1.8
69.64309	0.6
71.01276	1.3
72.99202	0.5
73.02843	0.6
77.36404	0.3
81.03340	0.4
83.01288	0.3
83.04913	1.4
85.02833	2.6
87.00784	0.4
93.03351	3.8
97.06490	6.3
101.02362	0.6
104.59141	0.3
105.03374	0.6
106.04145	0.5
109.02856	0.5
111.00765	0.7
111.04438	3.6
111.35983	0.3
113.02335	0.5
127.03939	0.5
129.01874	1.2
133.02882	5.1
134.03664	100.0
135.04520	9.3
137.02383	2.2
139.03911	0.7
155.03421	3.9
160.01596	0.5
173.04512	12.1
173.06032	0.7
174.04825	0.5
175.03955	0.4
177.01894	6.3
178.02675	18.5
179.03311	2.3
179.30440	0.4
185.00903	0.6
187.07558	0.4
191.05597	1.5
203.10768	0.5
205.03531	0.6
220.62167	0.3
231.10300	3.8
275.06702	0.5
275.09326	5.7
276.09558	0.7
277.54135	0.4
301.11984	0.4
307.11929	95.0
308.12302	9.1
469.45145	0.4
481.16888	5.6
482.17056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.0
58.00484	0.2
59.01262	1.8
60.99193	0.7
61.98716	0.2
65.03843	0.2
67.01777	4.6
69.03351	1.1
71.01271	3.0
71.04915	0.1
71.21379	0.1
71.21713	0.1
72.99211	0.1
73.02855	0.3
74.02296	0.1
78.95802	0.2
81.03341	1.0
83.01263	0.2
83.04916	1.4
85.02847	1.3
85.81850	0.1
85.95324	0.1
87.00774	1.1
93.03360	29.4
94.03705	0.9
95.01276	0.1
96.02065	0.1
96.95892	0.1
97.02827	0.2
97.06480	1.2
99.00772	0.3
99.04415	0.3
101.02329	0.2
102.87032	0.1
105.03363	0.2
106.04147	0.1
108.02094	0.6
109.02869	1.2
111.00787	1.2
111.04433	5.3
112.04785	0.3
113.02370	0.5
115.03934	0.2
118.42474	0.1
118.45530	0.1
121.02867	0.3
124.17574	0.1
127.03922	0.3
129.01843	0.6
133.02885	2.3
134.03667	20.9
135.04492	4.0
136.04799	0.3
137.02374	5.5
138.02713	0.3
139.03992	0.4
150.03178	0.2
152.01097	0.4
153.01877	0.2
155.03445	5.3
156.03809	0.2
162.03160	0.3
173.04512	100.0
174.04857	3.9
174.06375	0.1
175.03961	0.1
175.07518	0.1
177.01889	3.1
178.02675	9.8
179.03424	1.8
187.03964	0.1
187.07625	0.1
191.05626	0.3
205.03580	0.3
213.09399	0.1
215.03407	0.2
231.10263	1.2
248.55423	0.1
275.09348	4.1
276.07175	0.1
276.09668	0.4
277.08633	0.2
289.05173	0.2
289.93118	0.1
291.06686	0.3
293.77505	0.1
304.07602	0.1
306.07294	0.2
307.11929	15.5
308.12283	1.6
319.04227	0.1
333.07642	0.3
365.67316	0.1
437.12677	0.6
449.14670	0.5
481.17224	7.7
482.10577	0.2
482.17444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.9
57.12466	0.1
58.00470	0.2
59.01264	1.5
60.66130	0.1
60.99190	0.4
65.03858	0.2
67.01780	5.0
68.02123	0.2
69.03349	1.1
69.39406	1.0
71.01271	2.8
71.04904	0.1
72.49647	0.1
72.99205	0.1
73.02808	0.1
73.48802	0.1
75.10030	0.1
76.27425	0.1
78.95789	0.2
81.03356	0.9
83.01297	0.3
83.04923	0.9
85.02838	0.8
87.00773	0.8
93.03360	29.4
94.03701	1.1
95.01308	0.2
97.06496	1.0
97.55280	0.1
99.00779	0.2
99.04423	0.2
108.02109	0.4
109.02853	1.1
111.00788	1.0
111.04433	4.9
112.04710	0.1
112.66467	0.1
113.02341	0.3
115.03931	0.2
121.53728	0.1
127.03954	0.3
129.01872	0.4
133.02870	1.0
134.03668	16.5
135.04515	1.5
135.46654	0.1
137.02377	4.8
138.02745	0.1
139.03911	0.2
148.02820	0.1
150.03165	0.1
152.01109	0.3
152.99637	0.1
153.01880	0.1
155.03436	4.8
155.72165	0.1
156.03841	0.2
163.04018	0.1
173.04514	100.0
174.04858	3.8
177.01897	0.9
178.02692	3.4
179.03418	0.3
191.05557	0.1
205.03526	0.2
231.10193	0.5
254.72708	0.1
275.07178	0.1
275.09393	1.2
276.09833	0.1
307.11945	9.9
308.12311	0.7
449.14572	0.7
454.64761	0.1
481.17209	5.0
482.17395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21777	0.2
57.03340	1.4
59.01263	15.1
60.01596	0.5
60.99176	0.4
61.98710	0.6
65.03853	0.2
67.01778	4.5
68.02106	0.3
69.03343	1.0
71.01272	4.4
71.58086	0.3
72.99203	0.3
73.02834	0.9
74.98264	0.1
81.03350	0.7
83.01280	0.3
83.04914	0.8
85.02841	1.5
87.00769	0.7
89.02333	1.0
93.03359	24.0
94.03697	1.0
95.01250	0.4
97.06515	0.4
99.00787	0.3
99.04427	0.5
101.02343	1.4
105.03347	0.4
109.02231	0.2
109.02849	1.0
111.00805	1.1
111.04430	4.2
112.04726	0.2
113.02342	1.0
115.03918	0.2
119.03447	0.4
121.02869	0.4
122.23045	0.2
125.02307	0.3
127.03929	0.2
129.01845	0.2
133.02864	2.8
134.03667	6.0
135.04553	0.9
137.02371	6.3
139.03923	0.5
141.99321	0.2
143.03378	0.2
150.03171	0.3
155.02211	0.2
155.03439	4.2
156.03818	0.2
161.04492	0.5
162.03085	0.3
164.77768	0.2
173.04507	100.0
174.03470	0.3
174.04868	4.5
177.00513	0.2
177.01904	2.7
178.02672	9.4
178.99976	0.2
179.03311	0.8
194.96312	0.2
213.96303	0.2
231.10216	0.8
270.38870	0.2
275.07089	0.2
275.09381	2.1
307.11935	2.4
377.71140	0.4
449.14651	1.2
450.15469	0.2
450.23807	0.3
450.73785	1.6
451.24103	0.4
452.82034	0.2
481.17255	3.5
482.17587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3106
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98687	1.1
71.29581	0.5
76.80254	0.2
78.95795	19.7
90.80847	0.3
96.95861	0.3
104.97385	0.2
122.00050	0.8
140.01131	6.2
146.25459	0.2
152.99522	2.2
196.03784	10.1
214.04886	2.1
245.04286	0.5
253.21957	0.4
255.23334	1.4
265.25381	0.4
282.07489	0.3
283.26474	100.0
284.26837	10.5
284.29361	0.3
397.85480	0.3
454.39117	0.3
480.31091	37.3
481.25809	0.5
481.31540	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	481.1002
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.03358	0.9
59.01262	3.5
60.09094	0.4
61.98728	0.4
67.01772	1.9
69.03339	3.5
69.49182	2.2
69.49596	0.7
71.01270	4.5
71.01617	0.4
72.99221	0.9
73.02846	0.8
79.55108	0.3
81.03363	1.5
83.01279	2.1
83.04900	0.8
85.02833	3.1
87.00774	0.7
88.98693	1.0
89.02386	0.6
91.01817	0.9
92.00710	0.3
93.03358	10.9
93.03925	0.6
94.03697	0.6
95.01282	2.7
97.02853	2.6
98.19777	0.5
99.00812	1.4
99.04433	0.5
101.02341	2.0
107.01319	1.6
108.02106	1.9
109.02866	2.3
111.00803	1.7
111.04427	2.2
113.02377	1.2
121.02895	1.5
123.00801	16.1
123.04437	5.1
124.00655	0.8
124.01587	22.1
125.02368	38.4
126.02728	1.3
127.00292	0.7
127.03915	0.5
129.01883	0.5
134.06018	0.6
135.04420	0.8
136.01590	0.5
136.98689	0.7
137.02371	5.6
137.99550	0.4
138.03142	3.4
139.00317	0.9
139.03952	3.8
149.02425	0.7
149.99525	33.5
151.00337	3.4
151.03871	0.9
152.01114	2.2
153.01871	1.6
153.05518	1.1
155.03397	2.0
158.03667	0.5
159.04468	0.6
161.04497	0.4
165.01869	0.4
166.99820	1.2
167.03442	11.7
168.00595	60.3
169.01317	6.1
173.04507	46.9
174.04875	1.5
174.06812	0.8
179.03380	0.4
181.01228	0.4
181.05104	0.6
182.02158	1.4
183.02965	2.4
187.03799	0.7
187.07608	4.7
188.08017	0.4
191.05577	14.6
193.01387	0.6
197.04521	2.6
202.06273	3.0
203.10733	1.1
209.04463	0.7
211.02391	0.5
213.09151	1.2
226.11743	0.6
231.10263	3.7
232.10431	0.4
257.08023	0.4
257.40546	0.4
263.12903	1.3
269.06622	0.9
275.06750	0.5
275.09341	7.0
276.09845	0.7
287.08316	0.4
289.10776	0.8
296.05356	1.0
302.78162	0.3
307.11975	5.7
311.07791	3.8
313.05658	2.0
317.02740	0.4
318.02618	0.5
319.20947	0.5
327.07138	1.7
331.06769	4.8
332.06894	0.4
341.08826	5.5
342.09119	0.6
391.08270	0.6
449.14478	3.4
450.14944	0.6
463.08902	2.1
480.21719	0.8
481.09689	100.0
482.09976	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73202	0.6
57.66573	0.7
59.01265	100.0
60.01608	1.0
61.98732	2.5
70.87243	2.0
71.01269	10.0
72.99221	0.8
73.02845	2.9
80.60453	0.7
83.01313	1.1
85.02827	3.2
87.00771	1.2
89.02349	5.8
93.03344	1.0
93.08598	0.7
95.01260	1.1
95.86761	0.7
101.02338	7.4
103.20880	0.7
109.06478	0.8
113.02347	5.7
118.59438	0.7
119.03426	2.5
131.03419	0.6
161.04495	1.6
171.10301	1.2
179.05615	1.3
199.58557	0.7
201.11388	0.9
207.10251	1.5
225.11363	1.5
312.22485	0.7
391.08408	1.0
419.24582	1.8
437.25519	2.1
479.09909	1.5
479.21570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03325	1.2
59.01268	9.4
59.74648	0.4
63.02306	0.4
65.00201	0.5
69.03349	0.6
69.56407	3.4
71.01273	6.8
71.04900	1.9
72.99179	0.6
73.02824	1.7
81.03345	0.5
83.01283	1.1
83.04914	0.5
85.02839	1.8
87.00766	1.4
89.02335	4.1
93.03336	1.4
95.01286	1.0
96.95821	0.4
97.02857	3.1
97.06516	0.6
99.00787	10.7
101.02348	6.8
107.01295	0.5
108.02100	0.5
109.02853	1.6
109.06513	1.0
110.00003	0.7
111.00767	1.2
113.02377	2.9
119.03406	1.8
123.00782	1.2
123.08114	0.9
124.01559	0.9
125.02438	0.6
125.09653	3.3
127.11182	0.9
134.03688	0.5
135.04453	0.4
135.08099	0.5
136.98784	0.6
137.02301	0.6
137.99518	0.5
139.00323	1.7
141.03343	0.4
142.02596	0.5
149.02390	0.4
151.00359	2.8
152.01053	1.6
153.01796	0.8
155.03421	0.5
159.04451	0.5
161.02380	0.6
161.04492	1.3
163.00365	0.9
163.11217	4.6
164.01070	0.9
165.99016	1.7
166.99808	1.7
169.12277	0.4
171.04514	0.4
171.10237	1.1
173.04565	2.9
174.03139	0.7
177.01904	1.0
178.02180	0.5
178.05144	0.4
178.99850	3.3
181.12317	12.9
182.12627	0.7
187.03860	0.7
191.05632	1.8
197.11800	0.7
198.03117	0.5
199.04010	1.2
199.13396	21.5
200.13737	1.7
203.03487	0.7
207.10280	21.7
208.10588	2.0
211.03973	0.6
214.02557	0.8
215.03529	0.9
225.11342	49.4
226.11708	4.2
227.03548	2.1
229.01465	0.6
231.03024	1.2
242.02156	1.6
243.03015	2.8
243.12405	13.1
244.03520	0.5
244.12778	0.8
245.00826	0.5
253.09264	4.1
255.03043	1.8
259.02469	1.0
270.01807	2.5
271.02530	9.5
272.03186	2.9
273.04031	1.7
287.02066	4.9
288.02771	2.4
289.03629	0.8
298.01315	1.0
299.02029	10.3
300.02499	1.1
316.02298	15.4
317.03030	9.7
317.16132	0.5
318.03467	0.9
344.01215	0.5
435.09286	1.0
461.07181	0.9
461.20392	9.3
462.20609	0.6
479.08466	29.3
479.21411	100.0
480.08765	4.7
480.21747	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	479.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.2
57.03331	6.9
58.00467	3.3
59.01265	100.0
61.98726	12.0
67.01781	2.2
69.03340	2.6
70.72270	4.7
70.72600	1.9
71.01267	52.4
72.99200	22.3
73.02835	13.4
75.00768	11.2
79.32534	1.9
83.01286	3.6
83.04911	2.8
85.02843	19.4
87.00775	8.2
89.02333	31.5
90.01872	3.8
91.00263	37.0
92.97434	2.2
93.03340	4.0
95.01289	3.9
96.95924	2.1
97.02860	5.7
99.00795	7.5
99.04443	2.0
101.02342	29.1
109.02840	4.0
109.06516	2.5
113.02341	19.0
119.03415	9.6
122.03681	2.0
123.04456	10.3
125.02330	3.9
131.03410	3.5
137.05994	2.4
139.07559	4.6
141.05513	1.9
143.03418	5.8
149.04568	2.4
149.05989	3.0
149.09676	4.0
151.00363	2.6
151.07605	13.4
153.05489	2.6
159.03099	1.9
161.04497	13.9
163.11209	4.0
167.03424	6.4
171.10202	20.7
173.04523	13.9
179.05568	13.8
179.06949	2.5
179.10712	3.3
181.12350	2.6
183.10234	1.8
184.70293	2.1
185.11819	2.8
191.05573	6.3
197.11761	2.2
201.11290	20.8
203.10753	5.7
205.12390	2.5
207.10217	6.8
215.13020	3.2
221.11787	4.5
225.11342	19.6
253.09326	11.7
257.60068	2.0
279.12555	5.2
295.10187	1.9
299.01483	1.8
310.39633	1.9
311.07883	2.4
371.09036	3.5
419.19031	3.2
461.20096	2.5
479.12009	8.2
479.21161	5.1
480.11911	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	479.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56408	0.9
57.03325	3.8
59.01265	14.8
61.70378	0.9
61.98710	2.8
67.01777	1.7
69.03337	2.3
71.01274	15.7
71.04910	2.0
71.06954	1.2
71.07291	2.4
72.99201	1.6
73.02829	3.8
73.03972	1.1
81.03349	1.0
83.01280	1.4
83.04922	1.2
85.02859	7.6
87.00762	2.8
88.03962	1.5
89.02312	6.1
93.03352	4.4
95.01277	1.9
95.04896	1.0
97.02842	3.5
97.06516	1.2
99.00779	15.4
99.04425	2.2
101.02351	7.0
101.05975	3.0
108.02096	9.2
109.02864	4.2
109.06527	2.1
111.00758	1.5
111.04408	1.8
113.02371	4.8
115.00282	1.9
119.03371	1.3
123.04436	9.2
125.02351	3.0
125.09651	4.7
131.01335	1.8
132.02991	1.3
135.04404	4.1
137.02382	3.4
142.02783	0.9
151.00307	3.2
152.01103	15.3
153.01907	6.0
153.02892	1.1
153.05547	1.8
153.78616	0.9
161.04474	1.6
163.11298	5.3
166.02657	2.3
167.03439	23.7
167.05524	1.2
168.03828	1.8
171.10233	11.1
173.04501	13.3
173.05844	1.6
174.03148	1.0
175.00296	1.3
177.01872	7.6
178.02272	4.6
181.05025	2.0
181.12303	14.5
186.12471	2.9
191.05566	11.9
197.11819	4.5
198.12155	1.3
199.04066	1.4
199.13411	15.1
200.13750	2.3
201.11261	3.2
207.10260	28.2
208.10571	2.7
211.07646	1.1
225.11328	46.9
226.11732	4.0
227.03433	1.3
243.02783	1.2
243.10175	1.9
243.12418	25.7
244.12846	2.2
253.09332	6.0
261.11392	3.4
270.01660	1.2
271.02637	5.4
272.03250	2.0
297.06219	9.5
299.02075	4.4
300.02521	1.2
304.06976	3.6
311.07736	9.7
315.18405	2.1
316.02255	3.7
317.02844	2.3
317.11581	1.2
317.15854	1.7
333.19604	1.1
338.15796	1.1
351.13031	2.8
363.20587	2.0
364.18918	3.9
365.19391	1.1
371.08792	1.3
436.19891	1.2
461.05585	1.4
461.20575	7.4
462.20715	1.8
479.07925	5.3
479.12326	4.9
479.21411	100.0
480.07892	1.5
480.21799	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	478.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
66.18632	0.5
67.04317	0.4
71.60040	0.8
71.66029	0.4
72.66006	0.4
72.90986	0.4
77.46024	0.5
78.95794	30.3
85.99747	0.4
96.95904	0.9
96.96885	2.8
125.09672	1.2
128.70183	0.4
137.92317	0.4
140.01091	2.2
144.43657	0.5
152.99524	5.5
171.00580	5.7
187.09729	1.9
196.03758	1.8
214.04800	2.2
245.04239	0.8
251.20204	9.3
281.24911	100.0
282.25259	11.6
309.20764	0.5
317.05310	0.6
464.05771	0.5
478.29492	26.5
479.24084	2.9
479.30344	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	479.0845
Annotation	Gossypetin 8-glucoside
Peak:m/z	Relative Intensity
50.92987	0.6
55.01770	1.0
57.03334	1.2
59.01271	10.5
60.24471	0.6
61.98714	0.7
63.02290	0.7
65.00204	1.5
65.97674	0.5
67.01781	0.6
69.03320	1.1
69.77323	0.6
70.38563	1.4
70.38951	1.0
71.01275	6.5
71.04914	0.6
72.99201	0.8
73.02827	1.6
75.00754	0.9
83.01274	2.4
85.02847	2.4
87.00736	1.5
89.02339	3.8
93.03392	1.7
95.01279	2.9
95.04909	0.6
97.02840	2.0
97.06489	1.1
99.00790	6.6
101.02344	5.1
107.01312	2.6
108.02106	0.7
109.02869	4.0
109.99289	0.6
109.99973	3.2
111.00780	3.1
111.80434	0.6
113.02336	1.7
115.24304	0.6
116.19653	0.6
119.03436	0.9
121.02882	1.1
123.00816	3.1
123.04425	0.8
124.01575	2.7
125.02365	2.3
125.09657	2.3
135.00902	0.8
135.04431	1.5
136.01628	0.7
136.98730	1.3
137.02405	2.8
137.99532	2.1
139.00281	4.5
141.01892	0.8
141.99072	0.7
142.02638	0.6
146.03703	1.1
148.01570	1.6
149.02399	1.3
150.03140	0.8
151.00317	9.5
152.01082	5.7
153.01859	2.3
158.03651	0.7
159.04434	1.6
161.02403	1.5
161.04489	1.3
163.00305	3.8
163.11223	2.4
164.01161	3.7
165.01801	1.1
165.99031	3.5
166.99850	3.7
167.03462	1.0
167.04944	0.9
169.01414	1.5
171.04445	2.3
171.10182	3.6
172.05319	0.8
173.04552	4.1
174.03201	1.4
175.03984	2.0
176.01212	0.9
177.01875	2.6
178.02266	0.9
178.99832	9.9
179.03487	1.1
179.05470	0.6
181.01427	1.0
181.12297	6.6
183.04417	1.1
186.03169	0.9
187.03981	3.0
188.04819	0.8
189.01886	1.7
189.05460	0.6
190.02632	1.1
190.99799	0.9
191.03641	1.0
191.05566	3.6
192.00517	1.0
193.01544	0.9
194.99265	0.7
197.02611	0.6
198.03236	1.1
199.04028	3.0
199.13417	9.9
200.04411	1.0
200.13881	0.7
201.01910	1.9
202.02667	0.9
203.03488	2.7
205.01555	0.8
206.99290	1.1
207.10268	12.2
208.00203	0.7
208.10548	0.8
211.03943	0.9
213.01955	0.7
214.02730	2.8
215.03548	4.3
216.04199	1.4
219.02931	0.8
225.11331	25.6
226.02707	1.5
226.11697	1.0
227.03499	5.2
228.03940	0.9
230.02267	1.2
231.02975	2.9
231.49983	0.6
236.40944	0.6
241.01480	2.5
242.02238	6.4
243.02971	8.2
243.12328	6.5
244.03717	2.2
245.00890	1.3
245.04524	2.3
247.22273	0.6
253.09328	3.6
255.03059	6.4
259.02570	3.7
260.03250	0.8
261.11356	1.0
270.01758	7.5
271.02530	35.9
272.03220	8.5
273.04132	6.4
287.02051	13.0
288.02713	9.1
289.03217	1.1
298.01138	3.1
299.02023	32.0
300.02551	3.7
301.03500	1.0
315.01532	1.4
316.02289	47.3
317.03030	29.1
317.16217	0.8
318.03479	2.1
343.06741	2.0
435.09271	1.2
456.79416	0.7
461.07346	2.3
461.20407	4.7
479.08417	100.0
479.21341	46.8
480.08759	13.6
480.21857	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62062	0.9
56.51894	1.0
57.03338	100.0
58.00472	1.7
58.03658	1.4
59.01265	85.3
60.01611	1.3
61.98719	4.7
69.03322	1.2
71.01272	46.6
72.99195	6.0
73.02457	1.9
73.02836	29.1
75.00761	10.2
78.95784	2.4
79.05420	2.3
81.03321	4.4
83.01278	12.2
85.02841	20.1
87.00762	5.9
89.02341	17.2
93.03365	1.1
95.01290	6.8
95.04891	1.3
97.06481	1.4
99.00774	8.3
99.04420	84.0
99.08032	1.2
100.04742	2.8
101.02350	57.8
101.05987	32.4
102.02682	1.3
102.06277	1.5
109.06450	1.8
111.00755	1.0
113.02361	36.5
113.05960	3.5
115.00271	1.1
115.07533	1.6
117.01852	2.4
117.03396	1.5
119.03432	7.8
123.04441	25.5
125.01471	2.0
125.02369	40.2
125.05967	1.9
126.02715	1.4
129.01787	1.8
131.03352	3.5
135.04491	1.3
141.05478	3.9
143.03426	5.0
143.07082	18.9
145.02872	4.9
149.04532	5.1
152.99493	1.1
153.05464	5.1
155.03410	1.5
161.03221	1.3
161.04486	14.8
173.04459	1.7
179.05516	2.9
211.13249	1.1
221.06602	2.5
229.60214	1.2
249.06087	3.2
263.07721	1.3
298.24789	1.0
315.25424	4.7
316.26068	1.4
327.13440	1.4
333.11856	1.4
351.13104	12.1
352.13196	1.5
393.13916	2.0
407.78455	1.0
459.25284	2.2
477.19675	62.5
477.30307	27.8
478.20047	9.0
478.31012	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	477.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.2
57.03337	100.0
58.03681	1.5
58.17504	0.5
58.43181	0.6
59.01264	65.0
60.01613	1.4
65.49616	0.6
69.03346	1.2
71.01266	29.3
72.99192	1.7
73.02836	27.3
75.00750	1.0
78.91106	0.5
79.05432	2.8
81.03335	2.8
83.01270	8.6
85.02839	5.1
87.00775	0.9
89.02336	13.7
93.04031	0.6
95.01282	1.8
95.04940	1.4
97.02889	0.9
97.06478	2.6
98.20554	1.7
99.00802	0.6
99.04419	85.5
100.04749	2.1
101.02343	51.9
102.02696	0.8
109.06494	1.0
111.04520	0.6
113.02351	19.9
113.05987	3.6
119.03416	6.5
123.04439	23.3
124.04754	1.3
125.02364	38.6
126.02706	1.2
131.03435	4.6
141.05527	3.6
143.03436	6.3
149.04485	5.6
151.01187	0.6
153.05508	4.3
155.03418	0.9
161.04504	15.5
179.05560	4.9
183.06610	0.8
201.07773	0.7
203.05486	1.6
221.06589	2.5
263.07651	1.6
266.93231	0.6
323.09738	1.3
380.10986	0.6
477.23218	3.8
477.30170	1.2
478.23849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09074	0.3
57.03334	2.2
58.00474	0.6
59.01265	14.7
60.59786	0.3
61.98711	1.3
64.36382	0.5
67.01770	0.4
68.99697	0.3
69.03343	4.0
71.01269	6.5
71.04915	2.8
71.58514	0.4
72.99207	0.6
73.02825	2.2
74.02364	4.0
75.00759	0.4
75.31018	0.3
78.16904	0.3
80.23026	0.3
81.03318	0.5
83.01295	0.9
83.04922	0.8
85.02868	2.9
87.00777	0.8
87.73695	0.4
89.02351	3.6
89.87552	0.3
93.03355	1.3
95.01294	0.9
96.95895	0.6
99.00784	0.6
99.04420	1.1
101.02342	5.4
102.02708	0.4
104.79260	0.3
108.02061	0.4
111.04401	0.5
113.02343	2.8
116.29530	0.3
119.03423	1.5
123.08068	1.0
125.02374	0.7
125.09669	1.9
135.04446	1.5
137.02339	0.4
137.09717	0.4
143.03448	0.4
149.04486	0.5
151.11209	1.8
153.12790	2.5
161.04482	2.0
161.09648	2.6
168.45465	0.4
173.04524	2.3
175.04001	0.3
176.04002	0.5
179.03319	0.6
179.10724	6.0
191.05524	0.7
197.11812	98.6
198.12154	6.8
205.08807	0.8
216.75461	0.3
223.09807	2.1
227.03644	0.4
241.10829	11.5
242.11232	1.2
253.09320	3.7
268.23926	0.3
271.10928	1.1
306.07690	0.4
315.14481	0.6
333.15433	0.8
417.24991	1.0
424.55795	0.3
433.16678	0.4
449.94553	0.4
459.18576	0.5
477.19870	100.0
478.20212	13.2
478.26816	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	477.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.8
57.90792	2.4
59.01262	60.5
60.99194	4.3
61.98708	3.4
71.01273	37.0
71.58356	4.5
72.99196	42.0
73.02848	6.5
75.00758	13.7
85.02849	18.6
87.00764	10.1
88.00267	2.5
88.98697	29.5
89.02341	46.6
90.01862	10.6
91.00264	100.0
93.03363	3.6
95.01283	2.9
99.00778	6.4
101.02332	19.5
103.35601	2.8
103.75671	2.8
113.02357	19.0
119.03408	10.6
123.08097	3.7
124.01540	2.5
124.38933	2.8
137.02351	6.2
139.07562	4.8
151.07582	4.5
153.09158	14.7
156.36328	2.8
159.02914	3.6
161.04480	13.1
173.04506	7.4
177.09200	2.8
179.05554	9.8
191.05547	4.2
205.12286	5.9
219.10323	4.6
223.09843	2.9
223.13374	3.8
477.20111	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	477.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81247	1.0
57.03328	3.1
59.01266	31.3
61.98713	2.9
70.85744	1.9
70.86084	1.5
71.01270	15.2
72.99192	1.6
73.02829	3.5
83.01296	2.0
85.02853	5.6
87.00776	2.3
89.02343	10.5
91.00249	1.3
92.54713	1.2
95.01279	2.6
96.95918	17.7
97.02859	1.6
99.04443	2.6
101.02348	14.2
111.04459	1.4
113.02375	6.7
119.03415	3.7
125.02373	2.3
135.04445	1.3
143.03397	1.2
151.11166	1.8
153.09158	1.1
161.04492	4.1
161.09755	1.3
169.12305	62.2
170.12650	3.1
171.10219	2.0
173.04510	2.1
179.03476	1.2
179.05504	1.4
179.10715	1.3
191.26715	1.1
193.04942	1.4
195.10023	1.3
197.11833	64.0
198.12190	4.5
205.08688	1.2
213.34061	1.1
223.09724	3.6
229.65002	0.9
253.09334	11.8
280.39609	1.1
364.20404	1.2
379.15973	1.5
477.19849	100.0
478.20184	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	477.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64042	0.3
55.01781	0.8
57.03336	1.1
58.00479	0.5
59.01267	14.4
60.01593	0.2
61.98707	0.6
64.56298	0.3
69.03340	4.0
69.29140	2.5
69.29559	0.5
71.01273	7.6
71.04908	1.6
72.99206	0.8
73.02850	1.9
74.02375	0.7
75.00780	0.4
79.79177	0.2
83.01289	0.9
83.04919	0.3
85.02863	2.4
87.00774	1.3
89.02341	4.8
91.03904	0.3
93.03363	0.6
95.01280	0.7
96.95908	2.1
97.02827	0.6
97.06481	0.4
99.00783	0.6
99.04428	0.8
101.01320	0.4
101.02350	6.8
107.01350	0.4
110.69320	0.3
113.02346	3.0
119.03432	1.0
123.08078	1.1
125.02408	0.6
125.09657	1.3
135.04439	1.1
137.02400	0.4
143.03479	0.4
149.09697	0.4
151.00330	1.2
151.07623	0.3
151.11244	1.6
151.12294	0.3
153.12810	1.7
161.02350	0.7
161.04512	2.5
161.09663	2.5
173.04451	0.6
175.02501	0.3
177.01880	1.1
179.05699	0.4
179.10745	6.3
179.12225	0.6
180.11047	0.4
191.05559	0.4
197.11815	71.4
198.12134	5.2
223.09753	1.5
241.10855	6.7
242.11194	0.4
245.04735	0.3
253.09352	3.2
257.08740	0.3
272.03339	3.1
273.03995	1.1
315.14496	0.3
417.24973	0.4
425.32986	0.3
459.18738	0.4
477.19870	100.0
478.20270	13.2
478.26590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.105
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.37668	0.2
57.03337	2.0
58.03673	0.3
59.01263	5.6
60.01600	0.4
61.01663	0.3
61.98716	0.4
65.00201	0.4
67.96622	0.2
69.03345	0.3
71.01276	1.4
73.02827	0.5
74.02371	0.3
75.00750	0.3
83.01281	0.7
85.02846	0.5
89.02334	0.6
93.03369	0.3
95.72163	0.2
96.95897	0.3
99.04417	1.8
100.04765	0.4
101.01757	0.2
101.02343	1.2
101.05955	0.3
105.74918	0.2
107.01302	0.9
109.02930	0.3
113.02360	0.4
125.02317	1.2
133.02829	0.4
135.04463	1.0
142.60432	0.2
151.00293	2.3
153.01930	0.4
154.91908	0.2
156.25035	0.3
157.02911	0.3
161.04514	0.2
161.09647	0.4
163.00337	0.4
164.01064	0.3
169.01389	0.7
171.04472	0.9
173.04524	0.7
175.03967	0.5
178.99821	0.5
187.03883	0.4
197.02364	0.5
198.03094	0.2
199.03966	3.8
200.04315	0.3
201.01929	1.7
203.03528	0.6
204.04192	0.3
214.34488	0.2
215.03506	3.5
225.02037	0.4
226.02788	0.5
227.03506	3.5
227.11929	0.3
228.03902	0.4
229.01500	0.9
242.02217	8.2
243.03008	39.2
244.03326	3.1
255.03004	0.7
255.07724	0.5
257.04587	11.0
258.04968	0.7
270.01758	10.8
270.04221	0.1
271.02524	38.2
272.02890	3.2
273.03754	0.3
285.04114	21.1
286.04819	7.8
287.05402	0.3
299.02057	7.8
299.05267	0.4
300.02728	5.0
301.03207	0.3
314.04391	44.2
315.04974	10.7
315.10248	0.3
316.05435	0.7
341.09012	0.3
346.50595	0.2
346.54941	0.2
357.06293	1.1
417.24585	0.3
477.10471	100.0
478.10831	15.8
478.26108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1051
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
55.01745	1.5
57.03339	2.7
59.01264	35.4
60.99207	2.6
61.98700	1.7
67.01769	2.5
68.23534	1.4
69.03333	2.3
69.53139	12.9
70.46952	1.4
71.01269	18.2
72.91370	1.8
72.99187	3.7
73.02827	5.9
75.00752	2.0
81.03320	2.8
83.01263	3.6
84.70771	1.6
85.02838	7.4
87.00768	3.6
88.00292	3.1
88.98698	17.1
89.02333	20.6
90.01859	2.8
91.01797	2.1
93.03355	100.0
93.22132	1.5
94.03672	2.5
95.01273	6.9
96.95895	4.1
96.99197	1.9
97.02865	1.4
99.00784	2.2
101.02351	13.0
107.01333	3.5
108.02077	10.0
109.02892	8.3
111.00774	2.0
113.02341	8.0
121.02868	71.4
122.03179	3.0
123.00800	9.8
123.04449	18.6
124.01593	2.2
125.02370	6.5
130.75093	1.7
137.02368	10.5
139.07541	3.6
151.00314	16.6
151.03915	3.0
152.01057	19.9
153.01872	17.7
161.04549	1.9
165.01907	9.5
166.02629	4.4
167.03453	50.7
168.03822	3.8
173.04488	5.4
179.03481	14.7
191.05557	3.6
193.04988	1.9
195.02916	1.9
198.83011	1.5
205.12369	2.5
207.02980	2.7
279.12466	9.6
296.05472	6.6
297.06165	35.8
298.06470	3.7
311.07773	42.1
312.08127	3.9
313.17404	1.9
405.11972	6.5
433.11469	4.7
476.86099	1.6
477.10455	60.5
478.10638	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	6.3
58.00479	1.7
59.01265	41.6
61.98711	3.4
64.36169	1.1
69.03344	2.2
70.54937	3.4
71.01273	17.9
72.99210	2.0
73.02828	4.5
75.00758	1.4
78.95793	1.7
79.61441	1.0
82.65422	1.0
83.01275	3.6
83.04919	1.6
84.71363	1.1
85.02834	5.0
87.00771	3.3
89.02342	15.3
93.03378	1.6
95.01283	2.0
96.95916	57.4
96.96873	2.8
97.02836	1.7
98.02451	1.1
99.04433	3.9
101.02342	16.5
105.10252	1.0
107.14783	1.2
111.04426	4.0
113.02345	8.6
114.93332	1.7
119.03405	3.7
123.04473	1.3
123.08052	1.1
125.02386	2.9
125.06081	1.3
137.09627	1.8
139.07503	1.1
143.03426	1.5
149.09660	1.3
151.11200	2.7
153.09169	2.9
153.12798	1.6
161.04520	3.2
161.09624	2.5
161.84686	1.0
169.12292	44.3
170.12601	1.8
171.10208	6.2
173.04507	1.7
177.09169	1.1
179.05594	2.0
179.10706	3.6
185.11800	1.3
191.05531	1.7
197.11815	69.2
198.12196	3.6
205.08806	2.6
213.11243	1.5
223.09746	17.1
224.10164	1.1
235.11874	1.6
241.07523	2.5
241.10747	3.6
243.08719	2.3
253.09348	12.5
377.14771	3.5
379.16013	2.5
452.83374	1.0
459.18912	4.9
477.19928	100.0
478.20148	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	476.279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44770	0.3
57.29931	0.2
59.01252	0.3
70.92483	0.5
78.95793	100.0
96.96859	8.6
140.01166	0.6
150.97946	0.3
152.99527	18.7
169.96725	0.3
171.00591	21.9
172.00999	0.4
173.64746	0.2
180.70593	0.2
255.39613	0.3
279.23318	2.4
280.23596	0.3
402.24231	1.8
403.24911	0.3
476.27927	57.3
477.28296	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.5
60.65418	0.3
62.96292	0.5
68.42691	0.4
69.56400	2.2
69.56821	0.8
78.95794	100.0
96.96864	6.9
98.19886	0.7
103.92647	0.4
122.00079	1.2
125.28226	0.4
140.01103	5.7
152.99521	15.6
153.00766	0.8
153.99799	0.5
171.00598	15.9
183.58716	0.4
196.03777	8.8
214.04816	2.2
261.22437	0.6
279.23343	84.4
280.23676	8.1
318.97461	0.5
402.24365	0.9
476.27921	68.9
477.28220	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	476.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85817	0.2
55.20981	0.2
59.01257	0.4
59.14939	0.2
70.27105	0.3
70.27458	0.7
71.50736	0.2
78.95794	11.1
82.05788	0.2
83.97876	0.2
85.77940	0.2
96.96885	0.5
117.70756	0.2
122.00026	0.2
122.56444	0.2
140.01126	2.1
146.95512	0.2
152.99527	1.8
171.00607	1.6
173.43492	0.2
196.03714	1.0
202.14302	0.2
214.04855	3.2
240.16644	0.2
261.22275	0.3
279.23343	100.0
280.23679	10.5
318.96561	0.2
381.40207	0.2
476.27905	14.7
477.28262	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	476.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	24.5
58.03674	0.7
59.01264	37.7
60.01594	1.1
61.98717	100.0
66.27355	0.7
69.03335	1.4
70.72656	1.8
71.01270	10.8
72.99206	1.3
73.02837	3.3
74.02375	1.3
75.00790	0.9
83.01272	2.0
85.02838	4.2
87.00766	0.7
89.02348	2.4
91.36767	0.6
93.03364	1.3
95.01279	0.9
99.00764	1.4
99.04418	28.6
100.04795	0.7
101.02348	14.0
102.02719	0.9
108.02121	0.7
113.02369	4.4
119.03439	1.5
125.02368	10.6
126.02690	1.1
135.04459	1.9
137.02426	1.1
138.02782	0.6
143.03433	1.7
149.06006	0.6
151.00305	1.5
152.07216	0.6
157.64230	0.6
161.04497	5.4
173.04532	3.5
175.02509	1.0
179.03493	1.0
179.05501	0.6
191.05577	1.3
197.11827	1.9
200.54172	0.6
243.03024	0.7
256.93317	0.6
269.10345	7.2
270.10715	0.7
271.02463	1.1
299.02054	0.9
311.11456	4.2
314.04248	1.3
315.05206	0.7
351.14575	1.8
396.60724	0.7
413.14606	14.3
414.15091	2.1
415.23532	1.4
416.24252	1.8
433.24786	0.8
434.24963	0.8
476.25064	5.1
477.10699	2.7
477.20087	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03339	28.1
58.00486	0.8
58.03684	0.4
59.01266	100.0
60.01604	1.6
61.98719	1.2
69.03337	2.9
70.35271	1.4
71.01271	19.3
71.94462	0.3
72.99192	1.4
73.02833	4.9
75.00777	0.5
77.14576	0.3
81.03364	0.6
83.01276	2.0
85.02847	5.4
87.00774	1.6
89.02339	16.3
90.02661	0.4
93.03381	1.6
95.01270	1.7
97.02858	1.6
98.20564	0.4
99.00766	2.2
99.04422	26.5
100.04732	0.7
101.02347	20.4
101.68835	0.3
102.02710	0.6
108.02119	0.5
109.02873	0.4
111.00783	0.6
113.02356	10.3
117.97229	0.4
119.03423	7.8
125.02363	10.0
125.03236	0.6
131.03442	0.7
134.03636	0.4
135.04494	1.2
135.98347	0.8
142.93690	0.4
143.03444	3.0
147.35304	0.4
149.04512	0.8
152.01100	0.4
157.60114	0.4
159.02969	0.5
161.04507	6.6
167.03429	0.6
173.04510	3.0
175.02469	0.4
179.04013	0.7
179.05582	4.9
179.07013	0.6
180.05765	0.4
185.00888	2.7
191.05635	1.2
215.41971	0.4
221.11995	0.5
253.14517	0.6
303.14685	1.4
331.13995	0.3
331.17673	7.1
331.21371	0.7
332.18234	0.7
339.07336	0.4
359.60117	0.4
373.18787	1.6
413.22635	0.5
415.23499	8.6
416.23831	1.1
433.24765	1.4
475.15802	0.9
475.21884	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.4
59.01263	100.0
60.01616	1.2
60.01884	0.2
69.03344	0.4
71.01266	2.5
72.99198	0.3
73.02836	1.0
78.94526	0.2
81.03374	0.2
83.01279	0.4
85.02822	1.0
87.00780	0.2
89.02329	1.8
93.03378	0.7
99.00793	0.2
99.04415	4.1
101.02333	2.9
113.02361	1.3
119.03445	0.6
125.02370	1.6
135.04419	0.2
137.02386	0.2
143.03452	0.4
161.04536	0.6
173.04521	0.7
178.32045	0.2
191.05634	0.2
221.11952	0.2
249.51729	0.2
251.07309	0.2
253.18088	0.2
266.42032	0.2
303.14603	0.2
307.79855	0.2
331.17627	1.3
347.31964	0.2
373.18542	0.3
373.22858	0.3
415.23132	0.9
433.24716	0.4
453.41013	0.2
475.21307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01264	100.0
60.01601	1.4
61.98713	0.5
70.71799	0.6
71.01274	2.3
73.02850	0.5
85.02850	0.5
85.67381	0.2
89.02351	1.0
92.95348	0.2
95.01318	0.2
98.20560	0.2
99.00864	0.2
99.04461	0.2
101.02325	0.9
105.17826	0.2
113.02370	1.0
119.03423	0.5
143.03456	0.2
160.01691	0.3
161.04567	0.6
164.42085	0.2
169.06528	0.4
173.04594	0.3
175.03940	0.2
193.04857	0.2
211.13365	0.3
277.00531	0.2
292.93250	0.2
355.21112	1.1
373.22391	2.8
374.22821	0.4
415.23465	4.6
416.23837	0.9
458.85226	0.2
466.66644	0.2
474.63535	0.2
475.25711	0.2
476.26929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67344	0.8
57.03324	1.6
57.40765	0.8
58.00482	2.7
59.01263	88.7
60.01607	1.1
61.98715	3.7
69.03339	1.9
69.61720	5.3
71.01269	60.0
72.01588	0.9
72.99200	4.5
73.02835	17.9
75.00752	1.1
83.01292	2.9
85.02836	8.4
87.00784	2.4
89.02335	100.0
89.93063	0.8
90.02699	1.1
93.03371	1.1
93.82839	0.8
95.01286	1.6
97.02844	1.8
98.19810	1.7
99.00784	31.6
99.04430	2.4
101.02346	38.8
102.02650	1.1
113.02345	12.5
115.03931	1.3
119.03405	8.2
125.02373	7.1
131.03433	15.6
143.03447	2.9
149.04494	76.3
149.37476	0.8
150.04819	2.2
158.69080	0.9
161.04468	5.5
173.04514	2.0
179.05542	4.4
191.05579	16.0
211.13351	1.1
221.06644	6.7
233.06630	0.9
251.07703	7.3
252.08060	0.8
293.08856	1.4
311.09888	3.0
415.16177	70.3
416.16418	9.9
475.17786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13866	0.4
55.01773	1.1
55.30465	0.5
56.71800	0.4
57.03339	46.7
57.27504	0.4
58.00475	0.8
58.03673	0.9
59.01266	100.0
60.01600	1.5
61.98715	2.3
65.31851	0.4
69.03344	4.2
69.31227	5.1
69.54419	0.5
71.01271	21.6
71.01673	1.1
72.99199	1.6
73.02840	5.8
75.00763	0.7
81.03347	1.1
82.44938	0.5
83.01275	3.0
85.02846	8.8
87.00771	1.5
89.02332	12.4
89.46919	0.4
92.54858	0.5
93.03356	2.3
95.01290	1.3
96.95907	0.9
97.02879	1.5
97.43340	0.5
99.00789	3.6
99.04419	47.0
99.60480	0.5
100.04771	1.7
101.02350	23.1
101.06002	0.6
102.02702	0.6
112.04027	0.5
113.02364	9.7
119.03418	5.6
123.04475	0.7
125.02373	19.0
129.01796	0.7
133.02864	0.6
135.04469	1.4
135.98256	1.1
137.02361	0.6
140.05507	0.5
141.01846	0.8
143.03471	2.2
149.04567	0.7
152.01158	0.8
159.02969	1.1
161.04495	7.8
173.04506	5.5
177.01941	1.2
179.03500	1.2
179.05574	3.4
185.00896	3.7
191.05624	2.1
221.11913	1.9
229.05070	0.5
239.12917	1.0
303.14642	1.3
304.06870	0.6
331.17715	13.1
332.17740	1.1
351.13251	0.6
373.18784	3.2
401.22714	0.5
409.22446	0.5
411.25937	0.6
413.22198	1.1
415.23593	5.7
416.23444	0.7
433.24966	0.9
450.45911	0.6
475.21942	6.8
476.22485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33078	0.6
57.03337	18.5
59.01263	100.0
60.01613	1.5
61.01677	0.8
61.98724	2.0
69.03358	0.9
69.09752	0.7
69.91408	0.6
71.01266	12.7
73.02843	3.5
75.00764	0.8
81.03384	0.7
83.01283	2.0
83.92365	0.7
85.02854	3.6
87.00797	2.7
87.26164	0.9
89.02338	7.0
93.03364	1.5
95.01266	0.9
97.02849	1.1
98.20572	1.5
99.00781	1.8
99.04416	18.7
101.02345	12.6
101.03007	0.9
101.06014	1.4
113.02345	6.0
119.03445	2.8
120.28703	0.7
125.02348	6.7
131.03360	1.2
143.03430	0.9
149.42754	0.7
161.04489	4.7
173.04533	3.0
177.12828	6.4
179.05580	0.9
195.13881	67.0
196.14235	5.2
196.43776	0.9
205.68269	0.8
210.61450	0.8
211.13286	1.1
213.15129	0.9
221.06746	1.3
221.11838	1.4
233.69925	0.7
239.12926	7.1
253.09377	5.5
273.17139	1.3
331.17572	4.1
332.18011	1.0
341.85672	0.8
373.22821	1.1
415.23505	3.0
475.21927	60.9
476.22208	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	474.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91185	0.4
53.77948	0.4
57.10758	0.4
59.01249	1.4
65.43786	0.4
71.33881	0.7
72.60144	0.4
78.95794	26.0
83.12281	0.4
93.00867	0.4
96.85970	0.4
121.99981	0.7
127.07496	0.5
140.01120	6.4
152.99518	1.8
164.07434	0.5
186.32256	0.5
196.03777	13.3
197.04057	0.7
214.04868	3.0
222.02669	0.5
233.22807	0.6
265.07782	0.5
277.21777	100.0
278.22101	11.0
299.61011	0.5
474.26355	39.8
475.26840	4.9
492.97906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.2
70.60526	0.6
71.01265	0.3
78.95794	16.3
90.23655	0.2
96.96854	0.7
122.00060	0.4
140.01123	2.8
152.99535	2.2
163.72348	0.2
171.00601	2.0
196.03740	1.5
208.34291	0.2
214.02975	0.4
214.04829	3.9
233.22778	0.3
259.20596	0.6
268.14209	0.2
275.20255	0.5
277.21780	100.0
278.19006	0.4
278.22131	12.2
474.26367	17.5
475.26636	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	474.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13121	0.2
69.26823	0.2
71.16537	0.4
78.95795	100.0
85.74532	0.2
96.96866	8.3
140.01137	0.5
146.62282	0.2
152.99530	16.2
153.99863	0.3
171.00595	18.5
172.01004	0.3
214.04958	0.3
225.23366	0.2
277.21820	3.8
278.22101	0.3
357.00623	0.2
382.21344	0.2
400.22589	1.5
474.26376	63.0
475.26733	9.8
475.32343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53616	0.6
57.03337	1.2
58.68914	0.5
59.01255	4.4
63.33591	0.5
69.90064	3.3
71.01269	14.0
71.10768	0.5
72.03085	0.5
72.99187	4.7
73.02834	0.8
85.02869	0.7
87.00764	2.3
88.03929	1.5
89.02333	5.1
93.03371	1.1
96.81941	0.6
101.02350	1.8
110.85095	0.5
110.98056	0.5
113.02341	1.6
115.00280	36.6
116.00609	1.3
119.03406	0.7
119.04934	0.9
130.99716	0.6
132.02950	4.5
132.94562	9.7
133.01347	100.0
133.04977	15.9
134.01688	2.4
135.04428	0.8
149.06058	1.0
167.61417	0.5
173.04482	1.8
179.05571	0.7
179.24792	0.6
191.05540	1.2
193.01781	0.5
223.06091	1.7
261.27054	0.5
292.49365	0.6
295.46207	0.6
341.11035	9.1
342.11661	0.7
377.08649	7.4
385.11154	0.6
415.04181	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.8
59.01266	100.0
60.00792	1.2
60.01580	1.2
60.99189	9.2
61.76164	1.0
69.03349	2.6
71.01270	6.8
71.38142	1.8
72.99195	5.9
73.02831	3.6
75.00748	3.9
79.32501	1.2
83.01263	1.5
85.02808	3.4
87.00775	14.5
88.00291	11.1
88.98700	77.2
89.00659	1.2
89.02341	30.0
90.01867	5.6
93.03354	3.4
94.56400	1.2
96.36215	1.1
96.95873	1.2
101.02325	6.1
105.01826	2.3
111.00816	1.4
113.02363	4.1
119.03432	1.5
134.03648	1.6
135.04466	1.4
136.94080	1.1
148.71373	1.1
161.04492	3.5
163.04013	1.5
173.04492	3.2
177.55330	1.3
182.20367	1.1
191.05553	2.0
211.13327	3.0
222.45718	1.6
355.17545	1.8
415.19824	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	473.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48106	0.2
57.03326	0.9
59.01264	100.0
60.01595	1.3
67.32713	0.2
69.03336	0.4
69.73057	0.3
69.73475	0.8
70.07798	0.1
71.01272	0.9
73.02840	0.4
82.91314	0.2
83.01317	0.2
85.02883	0.3
88.09102	0.2
89.02354	0.4
93.03349	0.2
99.04440	0.5
101.02337	0.7
113.02364	0.4
125.02402	0.4
161.04527	0.4
171.48866	0.1
175.29938	0.2
179.05649	0.2
185.00961	0.3
213.02736	0.2
253.33865	0.2
413.22409	0.3
487.61246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20184	0.3
57.03355	0.6
59.01264	100.0
60.01605	1.0
61.98722	2.3
66.24928	0.3
69.03342	1.2
69.63568	2.0
71.01268	1.8
73.02849	0.7
78.15017	0.2
83.01277	0.3
85.02858	1.0
87.00790	0.4
88.96329	0.3
89.02364	1.2
93.03316	0.6
97.02843	0.5
99.00768	1.3
99.04457	0.3
101.02370	1.2
111.86554	0.3
113.02367	1.1
119.03386	0.4
141.01868	0.5
146.04503	0.6
161.02403	0.7
161.04478	0.5
173.04596	1.2
177.03957	0.3
185.00917	0.9
191.05673	0.4
246.43056	0.3
350.78720	0.3
371.20959	0.3
413.22052	1.0
473.14987	0.5
473.24005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01604	1.4
69.03340	0.5
71.01284	0.3
71.19247	0.3
73.62653	0.2
73.74400	0.2
101.02374	0.2
105.24380	0.2
112.59916	0.2
113.02397	0.2
173.04576	0.2
185.00850	0.3
263.10751	0.2
293.87814	0.3
306.98215	0.2
371.20926	0.4
384.82693	0.2
392.30399	0.2
413.21948	0.9
419.81927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
57.37097	0.5
59.01264	100.0
59.10903	0.5
60.01595	1.3
61.69870	0.5
61.98713	2.5
62.64325	0.5
66.50132	0.5
69.03339	7.9
71.01276	5.4
71.58843	0.9
72.99223	0.9
73.02834	3.8
78.43574	0.6
83.01287	1.9
85.02862	1.3
87.00769	0.7
89.02361	1.7
93.03381	1.7
97.02867	1.7
99.00758	3.3
101.02348	4.8
103.55807	0.7
111.00850	0.6
113.02388	2.3
119.03433	0.9
122.07570	0.6
134.03725	0.7
141.01912	0.7
149.04610	0.6
152.03412	0.6
152.99680	0.6
160.01627	0.9
161.04546	1.5
173.04530	2.4
175.04010	1.7
185.00883	5.2
191.05632	1.4
193.05104	0.6
228.57225	0.6
314.83746	0.6
350.08649	0.6
413.22025	1.3
429.21353	3.8
473.23877	3.0
474.24704	0.9
480.77374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40017	0.3
59.01266	100.0
60.01605	1.1
61.98723	1.0
68.45444	0.3
71.39067	0.4
78.95806	0.6
108.57539	0.3
110.36894	0.3
126.40433	0.3
127.18394	0.3
217.00424	0.6
245.10501	0.3
305.76639	0.4
420.28671	0.3
453.26886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43436	0.1
57.03328	0.6
59.01265	100.0
60.01603	1.2
67.12648	0.1
69.03340	0.1
71.01263	0.5
71.29544	0.2
73.02852	0.4
83.52364	0.1
89.02361	0.2
99.04455	0.4
99.69452	0.1
101.02338	0.6
113.02390	0.4
119.03461	0.1
125.02370	0.2
134.50839	0.1
137.48894	0.1
161.04489	0.3
178.15082	0.1
198.72566	0.1
263.08215	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10632	1.1
50.63925	1.1
55.94730	1.1
56.49541	1.1
57.03330	4.1
59.01264	99.5
60.01579	1.4
61.98716	1.4
69.03339	5.5
71.01266	21.0
71.57664	1.5
72.99187	1.7
73.02837	9.6
76.95198	1.0
78.95808	1.7
83.01279	3.3
85.02837	7.8
87.00769	5.1
89.02330	9.1
93.03336	1.4
95.01247	2.0
96.95911	2.1
97.02847	3.8
99.00785	3.0
99.04411	2.5
101.02331	13.8
113.02368	8.0
117.03362	2.3
118.06229	1.1
119.03405	2.6
132.02104	17.9
133.02550	1.5
134.03650	38.4
135.06551	3.5
137.02385	1.8
139.07590	1.2
143.03423	1.5
145.19832	1.2
147.04422	1.3
149.05984	4.4
160.01602	94.7
161.01964	4.9
161.04504	5.0
173.04579	2.9
174.22630	1.2
175.03961	100.0
176.04343	6.5
178.02560	1.7
179.03403	1.3
179.05597	1.6
185.00830	3.1
191.05600	1.6
191.07115	3.8
193.05037	42.6
194.05324	2.9
207.13852	3.5
207.98244	1.8
209.11853	2.5
223.00764	2.0
228.76611	1.5
235.06113	8.8
251.12914	1.6
265.07257	1.6
267.64673	1.3
295.08212	2.0
338.67102	1.2
369.19757	1.6
473.16739	97.1
474.10550	2.1
474.16882	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	473.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.6
57.03342	3.6
58.00486	1.8
59.01267	100.0
61.98711	1.6
64.48222	1.1
64.61462	1.2
65.58812	1.1
67.01842	1.2
67.64093	1.2
69.03345	5.2
69.51805	10.5
71.01273	31.3
72.99207	1.6
73.02848	8.2
75.57924	1.2
83.01283	2.7
85.02857	9.5
87.00784	3.4
89.02334	15.6
93.03387	1.5
95.01285	2.0
97.02842	3.3
98.20580	1.1
99.00770	3.7
99.04436	1.4
101.02350	20.4
101.62216	1.1
113.02366	11.3
119.03425	4.7
125.02379	2.6
143.03421	1.7
149.06061	1.4
161.04518	3.8
173.04530	2.5
189.12767	1.8
207.10371	1.7
207.13910	3.1
225.14940	9.5
233.11736	1.5
251.12959	13.1
369.19217	26.2
370.19653	4.6
385.34338	1.6
387.20361	37.7
388.20679	4.4
429.21457	18.2
430.22025	1.5
473.20892	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	81.3
61.98706	1.9
69.03326	5.4
71.01274	21.1
71.59085	1.6
72.99218	2.5
73.02841	17.0
78.95804	3.3
83.01281	5.7
85.02855	4.7
86.02373	1.4
87.00771	3.0
89.02344	9.3
93.03371	3.7
96.95884	1.3
97.02874	2.3
101.02343	18.7
111.01945	1.5
111.04451	1.8
113.02344	7.1
117.03366	1.9
119.03436	3.0
121.62873	1.3
125.02407	1.7
131.03407	2.4
132.02071	9.6
133.02866	1.8
134.03656	31.7
135.04399	1.4
135.06555	2.4
137.02359	1.7
147.04469	1.4
149.06026	4.7
150.03188	2.7
151.38960	1.4
160.01613	71.6
161.01923	2.9
161.04498	3.7
163.11240	27.5
165.05492	3.2
173.04510	4.6
175.03967	93.4
176.04324	4.6
177.01865	1.6
178.02713	1.9
185.00905	3.3
191.05542	3.4
191.07111	2.2
193.05038	41.1
194.05220	1.7
197.04643	1.6
209.11884	1.6
235.06136	4.1
270.90887	1.5
369.15564	1.7
387.16699	7.2
429.17715	70.0
430.17975	10.3
473.16745	100.0
474.17181	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	473.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.8
59.01265	65.7
69.03338	3.8
71.01273	17.1
71.57574	0.7
71.57973	1.3
72.99202	1.6
73.02848	6.2
73.57674	0.8
75.00761	1.4
83.01267	3.0
83.04890	0.9
85.02850	5.6
87.00764	3.3
89.02332	8.1
95.01284	1.8
97.02865	1.4
101.02347	12.6
106.77158	0.8
113.02360	5.0
117.03367	3.6
119.03400	1.8
123.04465	1.1
125.02345	1.8
132.02097	15.6
133.02846	1.9
134.03662	33.4
135.03966	1.7
135.06548	3.1
137.02328	1.5
149.06018	4.6
160.01611	84.3
160.47876	0.8
161.01964	4.9
161.04494	2.9
173.04524	2.7
175.03966	94.3
176.04344	6.4
179.03474	1.7
191.05598	1.7
191.07184	2.9
193.05045	44.2
194.05350	2.9
197.14294	1.0
203.01999	1.0
207.06488	1.3
207.13878	1.6
207.98361	2.7
209.11717	1.8
223.00703	2.8
225.14873	1.4
230.39679	0.9
235.06119	7.3
265.07153	0.9
295.08289	1.6
473.16748	100.0
474.17221	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	3.1
57.03334	3.1
59.01267	54.4
60.01606	0.9
61.98721	7.4
67.01793	0.8
69.03345	100.0
69.34223	5.2
69.34641	1.8
70.03677	2.1
71.01277	9.1
72.99206	3.2
73.02834	4.5
75.00740	0.7
79.01801	2.5
81.03374	0.6
83.01283	1.6
85.02851	3.7
87.00780	1.2
89.02337	5.7
91.43488	0.6
93.03368	1.8
95.01289	2.9
96.95892	0.8
97.02857	20.6
99.00784	28.2
99.04437	2.8
101.02341	7.0
113.02351	5.4
115.37939	0.7
119.03419	1.8
125.02355	1.7
131.03481	1.3
135.04460	1.3
137.02379	0.8
141.01874	6.9
147.04446	1.7
149.04550	0.8
161.04553	3.6
167.03496	1.2
173.04538	3.7
177.82219	0.6
185.00890	66.2
186.01247	2.6
191.05556	1.4
203.01938	3.3
207.14024	0.7
209.11972	3.4
225.15100	1.3
227.12889	10.4
251.13004	1.0
269.13956	2.1
287.15076	58.4
288.15396	4.6
408.91306	0.7
413.22031	1.1
473.16541	16.8
474.17178	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.8
59.01265	65.7
69.03338	3.8
71.01273	17.1
71.57574	0.7
71.57973	1.3
72.99202	1.6
73.02848	6.2
73.57674	0.8
75.00761	1.4
83.01267	3.0
83.04890	0.9
85.02850	5.6
87.00764	3.3
89.02332	8.1
95.01284	1.8
97.02865	1.4
101.02347	12.6
106.77158	0.8
113.02360	5.0
117.03367	3.6
119.03400	1.8
123.04465	1.1
125.02345	1.8
132.02097	15.6
133.02846	1.9
134.03662	33.4
135.03966	1.7
135.06548	3.1
137.02328	1.5
149.06018	4.6
160.01611	84.3
160.47876	0.8
161.01964	4.9
161.04494	2.9
173.04524	2.7
175.03966	94.3
176.04344	6.4
179.03474	1.7
191.05598	1.7
191.07184	2.9
193.05045	44.2
194.05350	2.9
197.14294	1.0
203.01999	1.0
207.06488	1.3
207.13878	1.6
207.98361	2.7
209.11717	1.8
223.00703	2.8
225.14873	1.4
230.39679	0.9
235.06119	7.3
265.07153	0.9
295.08289	1.6
473.16748	100.0
474.17221	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
59.01265	100.0
60.01603	1.1
69.03349	0.5
69.87574	0.4
69.87986	0.7
71.01275	2.9
73.02836	4.0
83.01279	1.3
85.02846	0.5
85.28426	0.2
89.02335	1.3
90.94840	0.2
93.03384	0.2
94.62072	0.2
101.02349	4.8
104.55669	0.2
113.02361	2.0
119.03432	0.4
125.02338	0.3
128.03514	0.2
130.60168	0.2
131.03430	0.6
133.01819	0.2
133.02951	0.2
137.09671	0.5
143.03439	0.4
149.04546	0.6
161.04480	1.1
173.04552	0.4
179.05588	0.3
185.00903	0.3
189.12804	0.3
244.03464	0.2
407.27655	0.2
471.22696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12342	3.1
52.58300	3.7
58.00480	3.9
59.01268	93.8
61.98713	4.0
65.82562	3.2
71.01276	76.4
71.58688	3.5
72.99189	3.5
78.95802	16.8
85.02827	4.8
87.00734	4.4
89.02341	100.0
95.00626	3.2
95.01245	4.1
96.05994	2.9
101.02351	30.8
101.02946	4.7
109.81247	2.9
113.02355	20.7
119.03416	12.1
120.79131	3.1
127.24538	2.8
131.03467	5.9
132.31081	3.1
140.14813	3.0
143.03430	7.6
161.04456	10.1
165.12791	13.8
167.91974	3.7
178.95038	3.1
179.05592	27.6
247.20636	9.7
273.18600	5.2
291.19745	92.8
292.20132	10.0
313.17813	3.6
373.19797	3.9
471.35190	5.1
472.24750	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	471.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06868	0.1
57.03337	0.2
59.01263	100.0
60.01601	1.2
61.98749	0.1
66.10516	0.1
69.03342	0.6
69.27349	0.3
69.27766	0.8
71.01271	0.6
73.02843	0.2
78.95786	0.1
85.02859	0.4
89.02357	0.3
97.02882	0.2
99.00806	0.3
99.04456	0.2
101.02370	0.4
103.03954	0.1
113.02367	0.3
119.03452	0.1
121.02911	0.2
124.64396	0.1
125.02380	0.1
141.01891	0.1
143.03433	0.1
143.46033	0.1
161.04492	0.2
173.04543	0.3
179.05629	0.1
185.00920	0.3
191.05585	0.1
249.15086	0.1
369.19464	0.3
411.20770	0.2
471.15128	0.2
471.22849	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	471.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07335	0.2
55.01764	0.5
57.03333	1.5
58.00465	0.3
59.01265	24.2
60.01612	0.3
61.98708	1.5
68.74151	0.2
68.99704	30.9
69.03338	1.0
70.00050	0.5
71.01269	9.7
71.59346	0.2
71.59756	0.3
72.99198	0.3
73.02838	10.7
75.00735	0.2
77.94664	0.2
78.95796	2.2
83.01269	1.5
83.04903	0.4
85.02844	3.3
87.00768	0.9
89.02337	6.7
93.03372	0.5
95.01276	0.6
96.95918	1.0
96.96864	0.5
97.02863	0.3
99.00779	100.0
100.01105	2.1
101.02342	7.0
111.00816	0.2
111.01880	1.2
113.02359	5.2
117.01854	1.8
119.03423	2.8
119.39733	0.2
123.04411	0.2
125.02345	0.6
127.01437	0.3
129.01848	0.2
131.03389	0.6
133.02878	0.3
134.03709	0.3
136.05226	0.3
143.03424	0.7
148.68465	0.2
149.04497	0.6
155.03462	0.3
158.92448	0.5
159.02954	0.5
161.02441	0.2
161.04491	5.1
161.05818	0.3
166.05037	3.7
173.04494	1.2
173.57970	0.2
174.38991	0.2
179.05589	3.3
185.00842	0.7
191.05602	0.4
200.00851	0.3
205.03471	0.4
209.15361	0.7
223.73404	0.3
231.96747	0.4
249.15062	0.4
289.13684	0.2
302.43213	0.2
371.20844	1.5
374.06088	0.5
439.19901	0.5
471.16501	0.4
471.22470	3.9
471.35818	0.2
472.22415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
58.00477	0.6
59.01264	100.0
60.01600	0.9
61.98717	2.4
63.88415	0.4
68.99688	0.4
69.03337	3.9
71.01268	15.0
71.58961	0.6
72.99207	0.9
73.02836	18.2
75.00778	0.7
78.95798	4.8
83.01276	5.9
83.04890	0.5
85.02860	1.7
87.00787	0.6
89.02338	3.3
93.03370	1.3
96.95922	1.3
96.96880	0.8
97.02882	1.0
99.00772	2.2
99.04446	0.4
101.02345	15.8
106.11223	0.4
109.02866	0.4
111.01958	1.0
113.02367	5.1
119.03459	1.7
119.04916	0.4
124.33694	0.4
125.02361	1.0
130.08727	0.5
131.03459	1.5
135.04453	0.7
137.02451	0.4
143.03441	1.1
145.02924	1.0
149.04527	1.6
155.03497	0.9
161.04483	3.5
163.04053	0.4
165.98776	0.4
166.05014	2.8
173.04533	2.1
185.00958	1.7
191.05653	1.0
205.12399	1.7
277.05173	1.1
309.07867	1.8
385.19040	1.7
398.08447	0.5
411.20547	0.7
427.19806	6.5
428.19958	1.0
471.12830	0.8
471.22318	0.8
471.35037	0.6
471.60291	0.6
472.11655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40315	0.7
52.08403	0.6
55.01763	1.1
57.03360	1.0
58.00486	1.8
59.01265	100.0
66.86227	0.6
68.99737	0.6
69.03342	1.5
70.51704	2.5
71.01269	48.0
72.99214	2.1
73.02834	79.4
74.03189	1.6
75.00784	0.8
75.24620	0.6
81.03329	1.1
83.01276	20.3
85.02835	3.3
86.60437	0.6
87.00754	1.0
89.02341	10.7
93.67828	0.8
95.01283	0.8
97.02856	1.6
99.00784	4.3
101.02344	52.2
102.02682	1.0
106.83936	0.7
108.12112	0.7
113.02355	10.5
119.03413	3.9
125.02384	2.6
131.03429	3.5
143.03419	3.5
149.04501	3.1
155.03409	1.4
161.04510	10.4
203.05618	1.5
221.06818	1.2
292.18729	0.7
367.17709	0.8
385.18750	12.9
386.19174	1.4
427.19794	81.6
428.20163	11.7
471.22421	3.3
472.23087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.258
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
51.62517	0.3
63.89935	0.3
66.68945	0.3
71.59403	0.6
78.73383	0.3
78.95793	6.2
86.35563	0.3
117.70196	0.3
125.08824	0.3
129.08902	0.3
147.64354	0.3
152.99518	14.2
153.00768	0.7
171.00574	0.8
196.61679	0.3
209.76434	0.4
212.72835	0.4
227.03323	3.7
241.21741	100.0
242.22096	9.4
245.04379	1.2
283.02408	0.4
335.99222	0.4
469.25772	32.5
470.26062	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	471.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90769	1.6
59.01266	100.0
61.98712	3.3
65.26852	1.6
66.13729	1.6
69.03348	8.8
71.01273	25.3
71.58484	2.6
72.99175	4.4
73.02847	10.8
75.45468	1.7
78.95796	18.8
80.96397	2.5
83.01272	4.0
85.02846	8.0
87.00775	5.4
88.98698	3.3
89.02346	7.0
93.03351	2.7
95.01258	3.5
96.95907	6.7
96.96830	2.4
97.02846	2.9
99.00789	3.4
101.02361	13.6
109.02882	2.8
111.00780	3.3
111.01907	20.7
113.02355	11.5
123.08096	2.1
125.02350	1.7
131.03581	2.0
134.03662	3.2
137.02408	2.0
138.06818	4.9
151.07571	5.2
152.08365	12.2
153.09146	25.4
154.09584	1.7
158.92505	6.7
160.01564	3.6
161.04521	5.5
173.04483	5.5
175.03966	6.5
185.00882	7.1
191.05637	4.3
193.05052	3.8
203.01959	3.5
205.12341	11.0
223.13380	2.9
231.96678	7.8
247.05606	3.3
305.01813	1.9
323.02228	2.9
367.17731	17.6
427.11716	2.9
427.19815	3.8
471.15094	5.5
471.34637	4.3
471.59949	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	469.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14393	0.8
51.49920	0.7
55.01767	3.3
57.03337	4.4
58.00483	1.0
59.01270	29.8
61.98719	6.0
66.85510	0.7
67.01785	2.0
69.03345	21.0
69.81940	0.8
71.01273	36.7
71.29613	1.4
72.51468	0.8
72.99211	2.4
73.02838	17.2
75.00743	1.3
81.03387	1.0
83.01277	6.2
83.04947	1.0
85.02847	18.7
86.03131	0.8
87.00798	3.8
89.02355	8.4
93.03368	10.0
94.03701	3.3
95.01308	3.0
96.95907	1.8
97.02843	7.0
99.00790	13.7
99.04437	1.7
101.02352	34.4
107.73601	1.0
109.02859	1.6
111.00787	1.7
111.04449	1.4
113.02357	15.1
115.03915	1.5
119.03402	1.4
123.04433	0.9
125.02380	1.7
129.01877	1.7
131.03418	1.8
133.02919	1.4
134.03700	7.3
135.04384	3.4
137.02371	3.4
139.00302	1.0
141.01871	4.4
143.03413	1.9
145.02852	2.3
149.04517	1.2
153.05638	1.0
155.03482	2.5
156.03830	1.1
159.02942	2.2
161.04503	10.6
163.03935	1.1
173.04521	24.0
174.04881	11.3
175.05040	9.7
178.02663	3.1
179.03247	1.7
180.03307	1.0
181.74985	0.8
185.00905	17.0
191.05594	1.8
203.02068	1.8
219.08171	9.5
232.10522	0.8
233.06645	1.1
263.07202	9.7
264.07657	1.0
277.09906	1.1
277.16644	26.8
277.19650	1.8
278.16931	2.3
283.11990	0.8
283.15591	2.5
293.10364	0.8
294.10803	1.7
295.10947	4.5
409.20883	100.0
410.21237	12.7
469.16968	9.6
469.27948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88996	1.1
55.01774	1.3
57.03337	14.2
58.00478	1.2
59.01265	100.0
59.08303	1.1
60.64483	1.1
61.98713	1.9
67.01794	1.2
69.03341	26.1
71.00895	2.4
71.01271	32.1
71.58426	1.3
72.99189	2.4
73.02441	2.3
73.02834	31.1
75.00764	2.4
78.95788	1.6
83.01281	7.8
85.02847	6.8
87.00772	3.4
89.02334	14.0
93.03301	1.4
97.02832	4.3
99.00761	8.2
99.04424	13.1
101.02353	31.7
113.02351	11.9
114.60764	1.2
119.03408	4.9
123.04443	1.5
123.08072	1.5
125.02332	5.3
131.03432	3.0
141.01820	1.4
143.03403	1.6
149.04521	2.3
153.09131	4.8
161.04559	8.0
165.09146	7.8
173.04546	2.5
179.05547	2.4
185.00887	9.9
187.11099	1.6
191.05608	1.7
205.12323	8.2
241.14507	1.7
260.17136	1.4
285.13544	10.4
286.13947	1.3
309.13538	3.4
327.14459	5.0
367.17526	2.7
369.15659	1.5
385.18652	4.9
427.19894	6.5
471.15271	2.9
471.22623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72348	0.4
56.97924	19.7
57.03334	0.7
58.52151	0.4
58.99472	0.7
59.01264	5.2
60.97415	0.7
61.98714	1.0
67.67161	0.4
68.63075	0.4
69.03337	1.3
71.01273	5.3
71.05237	1.0
72.99203	0.6
73.02847	1.1
73.55408	0.4
73.67895	0.4
73.98217	1.8
74.98987	100.0
75.99318	1.1
79.95628	0.8
83.01285	0.7
85.02848	4.6
86.98979	0.4
87.00773	9.9
89.02343	1.7
90.19624	0.4
93.03365	1.1
94.93498	0.4
95.01283	1.0
96.95919	0.7
99.00777	1.0
99.99790	0.5
101.02336	2.7
113.02359	9.1
117.00071	1.4
117.97237	0.7
118.98014	8.2
119.03365	0.6
120.99505	0.5
128.02873	0.5
134.03705	2.7
136.99068	7.2
137.02402	0.6
137.71304	0.4
139.59282	0.4
149.06015	0.8
150.03212	0.7
157.06882	1.4
161.04514	0.7
165.05524	0.9
171.10266	0.6
173.04419	2.8
174.04869	0.7
175.05031	0.7
183.08464	0.9
185.00821	0.5
191.05618	0.8
193.04898	0.6
219.08192	0.7
237.04396	31.9
238.04764	1.2
249.06291	1.4
263.07254	1.1
281.03458	4.1
297.10593	0.5
299.04483	30.6
300.04828	1.9
371.45905	0.5
377.44940	0.5
469.12115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31461	0.2
55.01757	0.4
56.65574	0.2
57.03328	0.6
58.00479	0.9
59.01263	19.3
61.98717	0.9
67.01777	0.3
67.30672	0.2
68.99703	35.1
69.03348	1.0
70.00061	0.5
71.01270	16.6
72.99197	1.0
73.02834	12.4
75.00787	0.3
79.25935	0.2
83.01275	0.9
83.04932	0.3
85.02837	3.9
87.00768	0.8
89.02338	17.7
93.03343	1.2
94.03693	0.4
94.81060	0.2
95.01286	1.1
97.02895	0.4
98.20559	0.6
99.00778	100.0
100.01115	2.1
101.02341	8.6
113.02360	8.2
117.01864	2.2
119.02579	0.4
119.03413	7.1
121.06495	0.3
131.03430	1.1
134.03584	0.3
135.04422	0.6
137.02383	0.3
137.09651	4.1
141.01886	1.6
143.03439	1.8
149.04494	0.8
161.04512	3.9
171.02957	0.4
173.04504	3.0
174.04852	1.1
175.04950	1.1
179.05582	6.3
180.02998	0.3
185.00917	0.4
189.12784	0.3
191.05557	0.3
296.26056	0.2
301.08591	0.3
301.12323	0.3
335.33963	0.2
425.09738	0.3
436.02039	0.3
437.18231	0.8
469.20975	3.3
470.21454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31074	0.3
56.97923	26.2
57.03307	0.4
58.99475	0.9
59.00993	0.4
59.01269	4.1
60.97407	0.7
60.99184	0.3
61.98701	0.6
63.96118	0.5
69.03350	2.4
69.48026	1.8
69.48456	0.8
70.03664	0.3
71.01268	6.6
72.99196	0.4
73.02835	1.1
73.98182	1.6
74.98988	100.0
75.98930	0.4
75.99318	1.0
78.29901	0.3
82.95330	0.3
83.01276	0.6
85.01041	0.4
85.02847	5.0
86.99004	0.4
87.00772	10.8
88.98689	2.6
89.02338	1.9
91.15804	0.3
92.08755	0.3
93.03350	1.0
94.03693	0.5
95.01283	1.3
97.02866	0.7
98.19850	0.7
99.00777	1.5
99.99795	1.1
100.52604	0.3
101.02354	2.2
113.02364	10.3
114.02650	0.4
117.00075	1.5
117.02066	0.3
117.97219	1.4
117.99307	0.3
118.98013	11.8
119.03431	0.8
119.04969	0.4
120.99548	0.6
121.02898	0.3
121.45100	0.3
129.01869	0.7
134.03633	0.9
136.99052	0.7
137.02333	0.3
141.01967	0.3
157.06868	2.6
161.04521	1.1
165.05475	0.5
173.04446	2.1
174.04810	0.8
175.04961	0.8
183.08443	1.5
185.00940	0.9
191.05466	0.7
192.46672	0.3
219.62878	0.3
231.10370	0.5
237.04399	40.9
238.04709	2.7
249.06122	2.0
271.02512	0.5
281.03406	6.5
299.04477	43.3
300.05057	1.8
319.08044	0.3
411.34512	0.4
451.15475	0.4
469.17557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2428
Annotation	12-O-Benzoylisolineolon
Peak:m/z	Relative Intensity
59.01260	14.1
69.34415	10.0
69.34834	23.5
78.69898	3.4
78.95794	43.3
96.96855	4.7
107.30071	2.9
129.33736	3.2
152.99525	71.5
160.59259	3.0
171.00560	14.9
184.21213	3.0
209.35637	4.0
227.03156	5.7
239.20192	68.8
240.20616	5.6
245.04362	100.0
246.04669	4.4
312.52557	3.2
351.17856	3.2
358.08725	3.0
467.24149	65.9
467.30368	3.5
468.24554	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	469.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03337	2.0
58.00455	0.4
59.01262	9.4
67.01772	0.5
68.99696	0.6
69.27844	1.6
69.28265	1.9
71.01267	9.1
72.99201	2.1
73.02816	0.8
75.00760	12.1
83.01270	0.6
85.02840	12.5
86.03233	0.3
87.00771	4.5
89.02352	2.0
90.47018	0.3
91.05426	1.5
95.01287	3.9
98.19780	0.7
99.00787	7.2
101.05981	68.3
102.06324	2.2
103.00262	1.0
113.02357	15.7
114.02707	0.5
115.00265	1.3
117.01882	1.8
117.03371	5.8
129.01854	0.9
135.04401	0.7
157.01344	0.4
175.02510	2.0
193.03470	0.5
195.26233	0.3
205.07088	0.5
231.05142	1.4
232.67046	0.4
249.06192	8.6
250.06441	0.6
267.07251	1.5
280.75500	0.4
291.11008	0.6
333.12012	2.2
351.13016	100.0
352.13342	10.0
469.17227	11.6
470.17535	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82685	0.2
54.54263	0.2
56.97916	0.3
59.01258	0.8
69.03337	0.8
69.86778	0.5
69.87185	0.6
71.01254	0.3
74.98978	0.6
78.86726	0.2
85.02869	0.2
93.03352	0.8
101.02327	0.3
129.11684	0.2
134.03612	0.4
160.01614	0.4
165.06985	0.5
173.04529	1.1
174.04831	0.4
175.03845	0.3
185.00883	0.5
191.08649	0.4
218.07182	0.3
219.08142	100.0
220.08484	9.8
220.10396	0.3
221.30402	0.2
237.04424	0.4
263.07172	97.7
264.07504	10.7
293.10413	0.3
299.04514	0.4
425.12479	1.7
426.13147	0.3
469.16803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	98.9
60.84965	57.2
64.74375	55.2
70.81451	93.6
70.81824	100.0
75.68182	53.5
96.95908	89.2
124.68063	54.0
129.64624	52.0
190.92950	54.3
308.20462	58.5
405.21503	73.0
465.32343	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	87.9
71.24979	100.0
71.87553	35.4
77.55827	36.5
92.16160	34.5
125.36078	39.4
183.81822	36.0
221.72528	47.0
285.68192	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	465.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	7.9
58.00499	2.1
59.01262	100.0
61.98716	19.2
66.09290	1.6
69.03345	2.3
70.88348	3.4
71.01266	49.8
72.99201	4.6
73.02848	3.1
75.00753	4.5
80.95992	1.8
85.02821	11.2
87.00757	4.2
89.02338	55.6
93.03354	4.5
95.01251	2.0
96.95890	14.5
99.00803	1.9
99.04434	2.9
101.02342	30.4
109.02852	2.2
113.02346	21.8
119.03406	24.8
121.02947	1.6
125.02392	2.9
125.09650	21.7
131.03416	4.1
135.04428	2.4
135.80528	1.6
143.03416	6.0
149.04483	4.4
149.09674	9.2
152.01086	2.8
153.01924	3.8
161.04489	9.2
167.10728	29.5
173.04533	12.2
173.05913	2.7
173.09573	1.7
174.03255	1.7
174.04890	2.4
179.05574	19.9
185.00836	1.8
191.05569	13.2
203.07030	2.6
207.13928	2.1
225.14966	19.9
229.08687	2.1
247.09868	3.8
273.07730	2.4
291.08865	5.5
387.20972	1.9
405.21381	79.1
406.21738	9.2
465.14813	3.9
465.23502	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	466.2949
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
59.01254	0.5
61.70655	0.3
71.58768	0.4
78.95795	18.6
87.37140	0.3
122.00024	0.7
140.01125	5.0
152.99565	1.7
169.90956	0.3
171.00546	0.4
190.75809	0.3
196.03767	9.7
197.04024	0.4
202.71912	0.4
214.04897	2.0
269.24908	100.0
270.25266	9.0
466.29480	34.4
467.29782	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.7
57.03329	2.7
58.00457	0.7
59.01264	14.1
61.98707	2.7
65.63250	0.7
67.01759	1.0
69.03349	3.0
71.00899	1.1
71.01273	16.8
71.58717	1.0
72.01598	0.6
72.99196	4.1
73.02845	1.6
75.00762	15.6
79.70699	0.7
81.03326	0.9
83.01255	0.9
85.02837	14.5
87.00775	7.0
89.02338	4.4
91.05424	1.0
93.03368	2.8
95.01279	4.9
97.02842	0.9
99.00775	9.2
99.04414	47.9
100.04722	1.4
101.02341	1.4
103.00282	1.9
111.00799	0.9
113.02354	20.1
115.00255	2.1
115.54848	0.6
117.01838	2.2
117.03380	9.0
119.03330	0.8
124.71509	0.6
129.01869	1.9
134.03650	0.7
134.20845	0.6
135.04449	2.0
137.02353	1.4
157.01347	0.9
165.01915	0.8
169.27881	0.7
171.10181	1.3
173.04488	5.6
175.02420	2.6
175.03885	1.4
185.00905	2.2
190.06339	2.9
191.05589	1.1
191.07132	0.7
193.03481	1.1
202.35017	0.6
205.07071	1.6
223.08253	0.8
231.05194	1.9
249.03806	1.2
249.06190	12.8
267.07245	15.4
268.07651	1.2
331.10440	2.7
349.11462	100.0
350.11902	8.0
370.12744	7.0
379.09946	0.9
385.11417	3.3
423.08887	1.6
467.15640	12.8
468.15955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	3.9
58.00478	1.1
59.01265	100.0
60.01603	1.6
61.69511	0.4
61.98723	1.2
71.01273	19.6
71.45691	1.0
72.01598	0.4
72.99175	0.6
73.02853	1.2
83.01267	0.5
85.02841	3.5
85.50432	0.4
87.00780	0.9
89.02338	25.2
95.01297	0.8
95.89318	0.4
101.02348	11.8
102.05533	1.4
112.05210	1.0
113.02363	9.3
114.02685	0.6
117.76357	0.4
119.03429	9.8
128.03506	0.9
131.03436	1.1
134.07318	1.3
137.09694	0.7
139.07591	1.5
143.03444	2.8
146.04562	1.1
149.04504	0.9
149.09660	15.9
150.10013	1.2
153.09152	6.9
161.04510	6.3
167.10735	28.5
168.11095	1.6
179.05574	10.2
198.73087	0.4
207.13940	0.4
209.11841	1.2
225.14977	5.1
226.15417	0.6
243.16052	5.1
310.74030	0.4
370.65399	0.5
405.21381	27.8
406.21695	3.9
465.15244	1.4
465.23325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.105
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
59.01268	1.1
65.03875	0.5
67.01784	0.9
68.99693	0.6
69.03339	0.7
70.85471	1.2
71.01263	3.5
73.02857	0.7
81.03352	2.2
83.01287	0.6
85.02829	2.8
91.01788	1.0
93.03331	0.9
95.01291	2.9
97.02838	0.6
99.00745	0.6
101.02345	1.4
107.01308	2.1
108.02080	75.3
109.02883	34.2
109.03490	0.4
110.03198	0.8
111.00784	1.6
113.02344	1.4
123.00806	2.9
123.04440	5.3
124.01627	0.7
125.02377	1.5
135.00807	1.3
135.04515	0.6
151.00308	2.6
152.01093	56.9
153.01894	23.4
154.02251	0.9
163.03964	1.1
165.01938	1.1
166.02669	1.0
167.03448	8.7
174.14018	0.4
195.02946	0.7
209.04613	0.4
237.33968	0.4
296.05615	0.7
297.06229	5.2
311.07782	3.0
315.07269	3.6
316.07602	0.6
421.11523	4.5
433.07782	3.6
434.07980	0.5
465.10477	100.0
466.10800	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	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.3
57.03332	0.7
58.00490	0.5
59.01263	12.9
61.98714	0.6
65.35084	0.2
69.03339	0.3
70.35653	0.7
71.01266	4.5
71.04919	0.4
72.99214	0.4
73.02829	1.1
75.00769	1.9
80.02576	0.9
81.03363	0.8
81.82191	0.2
83.01292	0.7
83.04917	4.3
84.02071	0.8
85.02821	1.5
87.00788	1.0
89.02335	3.1
93.03369	0.8
95.01303	0.3
95.04921	0.6
99.00788	0.4
99.04438	0.8
101.02340	5.0
107.01279	0.6
108.02100	0.5
109.02874	0.3
109.06557	0.3
111.00735	0.3
113.02355	2.0
119.03421	1.1
123.04487	0.4
125.02328	0.4
125.06016	0.8
131.03427	0.3
135.04401	0.4
135.08113	0.8
139.07478	0.2
143.03439	0.6
143.07062	3.3
148.01563	0.3
149.04472	0.4
151.00359	1.9
152.01039	0.4
161.04489	1.6
163.00340	0.4
163.11224	3.0
164.11615	0.3
165.12820	2.3
168.37392	0.2
173.04533	1.3
174.03181	0.3
178.99823	1.1
179.03482	0.3
179.05576	0.5
181.12372	0.7
191.05611	1.2
191.10739	0.8
199.03987	0.3
199.13319	1.3
204.11635	0.3
209.11812	100.0
210.12152	7.5
226.02705	0.3
227.03497	0.4
227.12892	21.4
228.13210	1.4
235.08200	0.5
243.03050	1.3
253.09325	14.5
254.09628	1.0
255.03003	4.4
256.03476	0.5
263.12903	1.4
271.02533	10.3
272.02841	1.0
273.04181	0.3
289.07330	0.4
293.89166	0.2
299.01917	0.4
300.02792	16.7
301.03540	8.5
302.03900	0.5
361.18524	0.2
403.19675	0.6
463.08777	14.2
463.21878	2.0
464.08899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
55.90267	0.1
57.03330	0.5
59.01265	5.9
69.03328	0.3
70.96398	0.4
71.01268	3.4
72.99196	0.3
73.02839	0.7
80.02570	1.1
81.03362	1.0
83.01276	0.8
83.04917	4.3
84.02058	0.8
84.05247	0.1
85.02846	1.1
87.00766	0.5
89.02339	2.5
93.03362	0.5
95.01314	0.2
95.04916	0.6
97.02873	0.2
97.06478	0.1
99.00766	0.2
99.04395	0.4
101.02350	3.1
109.06483	0.3
111.08068	0.3
113.02367	1.6
119.03437	0.8
125.02390	0.2
125.06004	0.4
131.03418	0.2
133.05029	0.2
135.08057	0.5
137.09634	0.1
143.03436	0.3
147.11792	0.4
151.00310	0.5
151.03990	0.2
152.01105	0.2
161.04491	1.7
163.11247	3.4
164.11516	0.2
165.12793	1.8
166.86395	0.1
173.04591	0.8
173.05817	0.2
179.05554	0.3
181.12326	0.5
191.05630	0.2
191.10738	0.9
199.13379	0.5
202.91209	0.2
209.11819	100.0
210.12157	7.6
210.14238	0.2
215.03535	0.2
224.92310	0.2
227.12894	19.4
228.13260	1.6
235.08290	0.6
243.03014	0.5
253.09322	14.7
254.09833	0.8
255.03008	1.1
257.04660	0.3
271.02542	1.5
272.03238	0.5
300.02802	1.5
301.03552	1.2
357.45084	0.2
463.08920	3.1
463.22220	0.7
464.09348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25100	0.2
55.01756	0.3
57.03326	0.8
58.00475	0.3
59.01265	6.7
59.20306	0.2
61.98714	0.4
64.82222	0.1
67.01755	0.1
69.03337	0.3
69.67034	0.2
71.01271	4.0
71.07143	0.4
71.07492	0.2
72.99194	0.6
73.02833	1.1
75.00754	0.2
78.95815	0.3
80.02564	1.0
81.03360	1.3
83.01276	0.6
83.04916	4.4
84.02060	1.1
85.02851	1.4
87.00770	0.6
89.02335	2.7
93.03348	0.6
95.01273	0.3
95.04906	0.6
97.02827	0.3
99.00758	0.2
99.04414	0.6
101.02346	4.2
107.01334	0.2
109.06535	0.2
109.58258	0.2
109.76213	0.2
111.01922	0.3
113.02364	1.7
119.03442	0.8
123.04436	0.2
125.02328	0.6
125.05980	0.5
125.09653	0.2
135.04436	0.2
135.08101	0.5
143.03458	0.4
151.00287	0.5
151.03864	0.2
152.03459	0.2
158.92682	0.2
161.04489	1.4
163.11237	3.1
165.12805	1.9
173.04512	1.3
178.99782	0.3
179.05611	0.5
181.12360	0.4
191.05579	0.6
191.10786	0.8
199.13370	0.6
209.11816	100.0
210.12160	7.0
210.14218	0.2
225.11433	0.2
227.12895	17.8
228.13213	1.4
231.96698	0.2
235.08261	0.6
243.03001	0.2
253.09322	12.9
254.09560	0.8
255.02983	0.6
271.02570	1.0
300.02759	1.8
301.03473	1.9
301.12015	0.3
302.04266	0.3
303.10846	0.2
331.17850	0.3
445.07877	0.7
445.24393	0.5
463.08585	1.1
463.21927	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	463.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11475	0.5
59.01250	1.7
61.50201	0.5
65.00202	0.8
69.41340	4.7
71.01266	0.7
83.01243	0.6
86.06792	0.5
88.71067	0.5
101.02330	0.7
104.25672	0.6
105.91161	0.5
107.01305	2.9
108.02090	1.9
109.02860	1.4
121.02865	1.7
135.00793	1.2
148.01595	1.7
151.00310	11.8
159.04514	0.6
163.00291	2.3
164.01117	1.1
178.99808	6.0
187.04037	0.7
199.03976	0.9
211.03970	1.0
226.02725	1.6
227.03484	3.1
229.05066	0.8
243.03021	10.3
244.03468	0.8
245.04613	1.3
254.02324	2.8
255.03023	23.2
256.03452	2.1
264.25519	0.6
271.02533	56.8
272.02924	7.5
273.04077	1.0
283.02579	1.5
299.01978	1.8
300.02802	100.0
301.03534	58.9
302.03891	4.2
311.01608	0.6
463.08914	97.9
464.09256	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	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18351	0.3
55.28199	0.3
57.03330	2.7
58.00461	0.3
59.01265	100.0
60.01609	1.3
60.22786	0.4
61.98721	0.7
69.03361	0.7
71.01271	10.6
71.56415	0.7
72.01630	0.4
72.99213	0.6
73.02831	2.1
83.01288	0.8
83.04942	0.9
85.02837	2.1
85.47737	0.4
87.00776	0.6
89.02336	13.9
95.01284	0.8
96.95924	0.9
99.00773	0.5
101.02351	8.1
101.09485	0.3
109.02871	0.4
113.02362	5.9
113.45843	0.3
119.03430	7.4
120.50214	0.3
120.70927	0.3
123.08123	0.8
131.03394	1.0
133.06509	0.3
134.65388	0.4
135.08020	0.4
139.07628	0.4
143.03421	1.7
149.04538	1.0
153.09163	0.6
155.08600	0.3
157.10197	0.6
159.03008	0.5
161.04501	5.8
165.09187	0.8
165.97264	0.4
167.10718	0.4
173.09746	0.5
175.11240	3.8
179.05579	6.0
205.12416	1.4
223.13377	11.3
224.13850	0.9
241.14581	1.4
403.19791	4.3
412.88486	0.3
463.22272	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	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.6
59.01265	76.7
60.01601	1.3
61.98715	1.6
71.01270	12.6
71.07296	1.4
73.02834	7.4
75.00777	0.6
83.01270	1.1
85.02832	3.6
87.00791	1.2
89.02341	6.6
90.02643	0.7
91.91604	0.5
92.54105	0.5
95.01286	0.7
96.95906	0.7
99.00773	0.7
101.02350	8.1
109.02895	0.6
113.02364	6.9
119.03443	3.7
123.00784	1.8
123.08067	0.7
124.01584	1.0
125.02411	1.4
131.03453	0.8
137.02333	0.8
137.09683	0.9
143.03435	1.1
144.05815	0.8
145.04993	0.9
147.08113	5.6
149.09691	2.7
151.07567	3.2
157.10167	1.9
159.02936	0.5
161.04509	8.9
161.09712	1.8
165.09145	9.6
166.09413	0.7
166.99834	3.1
167.10762	1.7
170.07329	5.5
173.04495	1.5
179.05566	2.9
179.10744	2.2
182.02209	2.4
183.02974	1.3
185.09703	0.8
187.07521	0.6
188.08377	2.6
191.10771	1.1
203.10759	17.7
204.11101	1.2
205.08646	1.0
206.09451	1.1
209.11781	4.3
221.11836	100.0
222.12177	8.4
235.08264	1.6
239.12854	1.7
249.09825	1.8
285.04178	0.7
371.17157	0.7
383.17200	0.9
401.18533	2.8
461.13040	5.7
461.20020	2.3
462.13663	1.4
462.20477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40522	0.1
52.29893	0.1
55.01771	0.6
57.03339	1.1
58.00480	0.4
59.01266	9.0
61.98719	0.2
69.03341	0.8
71.01270	6.2
71.04915	0.8
71.58748	0.2
72.01608	0.3
72.99191	0.5
73.02836	2.2
75.00761	0.3
80.02566	0.2
81.03349	0.7
83.01283	1.5
83.04925	0.6
85.02847	2.3
87.00774	1.2
89.02343	3.7
91.03926	0.3
93.03355	0.2
95.01295	0.6
95.04932	0.2
97.02856	6.8
97.06499	0.9
98.03192	0.2
99.00782	11.0
99.04417	0.5
100.01123	0.3
101.02347	4.9
103.03911	0.5
106.04121	0.2
109.06497	3.8
110.03653	1.5
111.00768	0.2
111.04403	0.5
113.02361	2.7
115.03905	0.3
118.71967	0.2
119.03391	1.0
120.37024	0.2
121.02860	0.2
121.06506	0.4
123.04458	0.5
123.08092	0.5
125.02358	0.7
125.09647	3.1
131.03424	0.2
133.04994	0.7
133.06454	0.2
135.08054	1.2
136.05255	1.0
142.02655	2.0
143.03395	0.5
145.02890	0.3
145.05008	0.4
145.10191	0.3
150.03232	0.2
155.14386	0.2
161.04501	1.4
161.09688	0.5
163.11253	8.7
164.11554	0.4
173.04518	0.5
179.05597	0.5
179.10754	0.5
181.12315	16.0
181.34859	0.2
182.12653	1.0
187.06004	0.2
189.09189	0.3
197.11804	0.4
199.13385	1.8
200.13670	0.2
207.10263	50.1
208.10590	3.5
225.11331	100.0
226.11667	7.2
235.08234	2.5
243.12407	12.6
244.12814	1.0
253.09317	7.6
254.09676	0.5
271.02512	0.2
299.15155	0.7
317.16153	1.1
322.12683	0.2
389.25323	0.2
461.20377	50.4
462.20691	6.0
483.03329	0.2
489.55042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71028	0.4
58.09702	0.5
59.01272	3.0
61.98711	2.2
65.99738	11.3
70.92682	1.1
78.95788	2.1
85.02827	0.5
89.02341	0.6
91.44165	0.4
93.03359	0.4
93.34239	0.4
96.96889	0.7
97.02854	0.5
101.02335	0.5
109.06495	2.5
113.02310	0.6
121.02856	1.3
129.17136	0.5
136.75209	0.5
151.06352	0.8
152.07111	2.3
152.99512	2.0
163.11237	1.2
171.10396	0.4
207.10266	5.1
208.10609	2.6
208.32018	0.4
209.11824	1.4
225.11325	4.6
226.11719	1.2
227.12772	0.7
231.41617	0.4
253.09325	1.5
259.07748	1.8
283.07706	8.1
284.07944	0.6
290.09647	0.8
291.08252	0.9
295.07767	0.5
300.02698	0.4
305.08328	0.5
306.09439	0.5
307.07834	3.2
308.08002	0.6
309.20706	0.8
310.21115	0.5
311.07257	0.9
311.22336	9.2
326.05753	0.9
333.08112	0.9
334.08823	12.5
335.07376	1.7
336.07184	0.5
339.06732	1.8
350.08340	2.3
362.08392	4.0
363.06555	1.0
366.05539	0.9
377.07086	0.5
378.07797	44.4
379.08139	5.4
390.07843	1.6
399.10181	0.7
406.07330	9.1
407.07584	1.4
434.07010	3.0
461.20612	2.2
462.06299	100.0
462.19760	2.8
462.28543	1.7
463.06610	16.3
463.21094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.7
59.01265	2.8
60.98354	0.5
61.98724	0.8
69.28162	1.2
69.28577	3.3
71.01276	1.6
73.02866	0.6
74.31221	0.4
85.02854	0.5
85.52961	0.4
97.06519	0.5
101.02350	0.5
109.02876	0.4
109.06509	1.4
119.08545	0.7
121.02866	5.8
122.02828	0.8
122.03664	14.5
123.04500	2.4
123.08082	0.7
124.01554	1.5
125.05991	1.0
125.09629	2.8
127.11271	0.5
136.01590	0.8
137.02365	2.9
137.09630	0.9
139.11218	0.4
140.87186	0.5
141.09195	1.2
151.00302	0.6
151.06340	8.6
152.07114	100.0
153.07462	4.0
153.09262	0.6
153.12843	0.5
154.02655	2.4
155.10695	0.9
163.11201	1.7
166.90875	0.4
171.10191	2.8
181.12259	0.6
185.11882	0.5
199.09703	3.2
200.10469	1.6
201.11282	1.3
207.10291	5.6
209.07277	0.4
211.13496	0.6
213.11354	0.8
225.11319	3.5
245.19173	1.0
247.20657	1.9
253.09251	0.7
263.20203	0.7
269.51709	0.6
285.04050	0.7
289.18121	2.7
291.19742	6.6
292.20016	0.8
307.15680	0.8
307.19226	14.9
308.19516	1.8
309.20782	63.6
310.21143	7.6
311.22287	1.7
342.33054	0.4
356.14471	1.0
400.12878	0.8
420.61099	0.5
442.26257	0.6
459.68088	1.9
460.18677	1.2
460.27142	29.2
461.20367	3.7
461.27478	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.3
57.03347	0.6
58.00483	3.5
59.01265	72.1
60.01595	1.0
61.98726	0.9
69.03343	5.2
71.01271	66.6
72.01602	1.5
72.99200	3.5
73.02835	15.0
74.02383	0.6
75.00763	2.8
78.95789	0.6
81.03345	3.1
83.01273	3.9
85.02846	8.1
87.00770	1.7
89.02338	100.0
90.02682	1.5
91.03931	0.6
95.01301	2.1
97.02851	9.3
97.21838	0.4
98.03196	0.5
99.00781	22.7
99.04408	1.3
101.02346	29.8
102.02675	0.4
109.02856	0.7
109.06499	1.1
111.00785	0.7
111.04425	0.5
113.02355	7.8
115.03924	5.3
119.03400	2.1
123.04453	0.4
125.02366	34.3
125.39320	0.5
126.02674	1.4
127.03923	0.9
131.03429	14.4
132.03696	0.5
135.04488	1.0
137.02412	0.5
143.03416	3.6
147.11685	0.7
149.04500	34.4
149.09602	0.9
150.04797	1.5
152.99481	0.8
161.04495	2.3
163.11174	0.9
164.06789	0.4
167.10732	18.8
168.11023	1.0
173.04527	0.8
173.28746	0.4
177.09280	0.6
177.12772	1.3
179.10640	0.6
191.05591	13.7
191.10754	2.8
192.05821	0.5
207.10214	2.2
209.11790	2.8
221.06662	2.2
221.11806	3.1
223.13475	2.2
224.13695	2.5
225.11241	1.8
225.13922	1.7
233.06691	16.5
233.11717	0.8
233.25935	0.4
234.06932	0.8
239.12888	0.8
251.07581	0.7
253.09383	0.9
254.09592	0.5
255.09831	0.4
272.48969	0.5
275.07687	0.9
293.08841	27.6
294.09232	2.5
311.09918	0.7
317.26834	0.5
327.21881	2.3
331.73575	0.4
377.12662	0.4
443.26584	0.4
460.26895	1.3
461.20251	1.3
461.27161	3.1
462.26920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.7
57.03338	100.0
58.00488	0.4
58.03672	1.8
59.01265	79.4
60.01608	1.1
61.98713	0.7
67.17502	0.3
69.03353	1.6
69.46519	0.4
69.89571	1.8
71.01270	21.1
72.01629	0.4
72.99191	0.8
73.02837	6.6
78.95810	0.5
80.06272	0.4
81.03348	1.4
83.01270	3.1
85.02841	8.6
87.00787	1.2
89.02338	5.3
95.01266	1.8
97.02831	0.7
97.66036	0.4
99.00790	3.3
99.04418	74.5
100.04766	2.3
100.59993	0.4
100.84504	0.4
101.02344	29.7
102.02682	0.8
113.02358	7.7
116.64943	0.4
119.03407	1.2
121.02878	0.6
122.03664	0.7
125.02367	22.0
126.02715	0.9
129.01917	0.4
137.02353	0.4
143.03427	2.7
151.00290	0.7
151.06270	0.7
152.07123	5.5
155.96371	0.3
159.02881	1.0
161.03224	0.6
161.04501	9.6
162.04826	0.3
173.04544	0.6
178.99776	0.5
180.00104	0.4
185.00862	0.9
186.01204	0.4
191.05553	0.5
289.18054	0.6
291.19580	0.8
307.19061	1.6
309.20758	4.9
315.18170	14.8
316.18384	1.6
325.20059	0.8
329.65860	0.4
357.19278	1.7
359.16870	0.7
397.22363	0.5
405.39142	0.4
424.13309	0.6
458.67136	2.5
459.16904	1.0
459.22589	3.4
460.26904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88342	0.1
55.01756	0.2
57.03336	0.9
58.00483	0.3
59.01264	9.6
60.29518	0.1
60.47396	0.1
61.98719	0.3
63.41866	0.1
69.03340	2.2
70.17709	0.1
70.25174	0.2
71.01269	4.7
71.04896	0.7
71.58880	0.3
72.99201	0.4
73.02827	0.9
81.03368	0.2
83.01273	0.8
83.04927	0.3
85.02837	1.2
85.06474	0.4
87.00770	0.9
89.02333	4.3
90.02641	0.2
91.03906	0.2
91.52454	0.1
91.92163	0.2
93.03354	0.6
95.01283	0.4
95.04933	0.3
97.02862	0.3
97.06469	0.3
99.00784	0.4
101.02345	4.3
101.03008	0.3
102.80033	0.1
103.03911	0.2
109.06493	0.6
111.08041	0.1
113.02348	2.1
119.03424	1.0
121.02874	0.2
125.02298	0.2
125.09628	0.3
131.03447	0.3
131.33246	0.2
135.04442	0.6
135.11748	0.3
141.09125	0.3
143.03445	0.4
149.09628	0.5
152.07077	0.2
153.09143	0.3
161.04488	1.8
161.13319	0.4
165.07909	0.4
167.10721	2.7
168.11087	0.3
173.04483	0.7
177.12773	0.6
179.05594	0.6
179.10779	1.2
179.14368	3.5
191.05542	0.3
195.13879	10.2
196.14217	0.8
205.12311	9.2
205.14308	0.2
206.12643	0.8
223.13396	100.0
224.13734	8.2
235.08215	0.7
237.14993	0.2
248.74777	0.2
253.09317	16.6
254.09700	1.0
263.80670	0.1
288.16132	0.3
290.17615	0.3
291.19565	0.2
399.23892	0.6
417.24918	0.3
441.25357	0.1
442.26108	0.5
459.22421	5.6
460.27530	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	459.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97187	0.7
57.03350	0.7
59.01265	20.6
71.01274	14.4
71.05239	1.3
71.05615	1.5
72.00779	1.7
72.99203	1.0
73.02837	61.4
74.02364	1.7
74.03172	1.3
75.00760	1.0
83.01283	1.0
85.02850	1.6
86.24308	0.6
87.00785	1.3
89.02343	15.2
93.03383	0.8
94.02660	0.6
95.01321	0.6
99.00784	6.1
99.92474	2.3
101.02346	7.3
101.39399	0.7
103.09856	0.7
113.02358	5.6
116.92776	36.6
117.01854	100.0
117.92795	2.3
118.02204	2.8
118.05026	7.2
119.03429	5.2
133.18660	0.8
135.04446	1.2
143.03430	1.4
152.01143	1.0
161.04541	1.8
162.08241	0.7
179.05592	6.2
218.38049	0.7
241.05045	0.6
315.07431	0.8
341.10986	19.3
342.11456	1.9
459.18747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	3.3
58.00494	1.1
59.01265	35.6
67.47581	0.8
69.03356	2.3
71.01271	17.8
71.59142	1.3
72.00802	1.3
72.99195	9.4
73.02832	7.2
75.00765	4.1
75.15714	0.6
83.01283	1.9
85.02832	5.5
85.99978	0.7
87.00794	2.6
89.02338	10.6
93.03396	1.1
95.01282	0.9
99.00779	2.0
99.04425	1.6
101.02341	13.3
113.02367	6.3
117.03366	1.6
119.03412	3.4
119.04895	0.7
121.04954	3.9
123.04429	1.4
125.02310	1.3
132.02107	13.2
133.02827	2.1
134.03662	35.2
135.04472	2.2
136.98463	0.7
137.09738	0.7
143.03412	1.5
149.04623	0.7
149.06023	4.5
153.05510	1.1
160.01607	76.3
161.02016	4.3
161.04523	5.4
173.04567	1.7
175.03961	100.0
175.11276	1.6
176.04285	6.6
177.01871	1.1
178.02632	1.3
179.03456	1.7
179.05614	1.7
191.05516	0.8
191.07109	1.8
191.10643	0.9
193.05032	41.3
193.12259	2.6
194.05368	2.7
197.04506	1.3
219.10226	1.7
235.06145	4.4
237.11330	3.3
283.10379	0.9
337.09106	1.4
351.81354	0.8
399.88062	0.7
417.17499	0.9
459.14948	81.5
460.09454	1.0
460.15439	11.3
460.21408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3332
Annotation	Platanic acid
Peak:m/z	Relative Intensity
57.03316	0.4
58.50795	0.3
59.01250	1.4
60.99179	1.7
69.65997	0.4
71.58867	0.5
71.59286	0.4
73.01084	0.4
78.95795	1.1
85.06473	2.1
96.96912	0.4
97.06471	0.6
103.34917	0.4
111.01898	1.1
116.78310	0.4
213.73668	0.4
269.41699	0.4
313.89529	0.5
368.91125	0.5
395.33267	11.8
396.33478	1.7
409.31372	0.7
411.32748	2.7
413.34357	1.5
419.01483	0.5
439.32285	5.0
440.32764	0.5
455.31641	0.6
457.33310	100.0
458.33594	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	458.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
56.41250	0.4
57.03334	9.8
59.01263	18.7
59.48096	0.4
60.01605	0.7
61.98711	0.9
69.03350	1.6
69.33461	1.3
69.33870	3.0
71.01266	9.0
72.99196	1.2
73.02834	2.8
74.02366	0.5
78.03365	0.4
78.95805	0.4
81.03348	0.9
81.92724	0.4
83.01284	1.9
85.02840	5.7
87.00787	0.8
89.02338	2.0
93.03365	3.0
95.01280	1.9
96.95879	0.4
97.02843	0.7
98.20593	0.8
99.00785	1.2
99.04414	10.4
101.02345	9.0
102.02688	0.5
107.03645	0.8
108.02076	29.1
109.02872	18.2
110.03230	0.6
111.04434	0.6
113.02357	4.3
116.04971	12.1
116.05769	0.8
117.05338	0.8
119.03430	0.7
119.04969	0.4
121.02877	0.7
122.03663	5.3
123.00787	1.1
123.04456	1.2
125.02364	11.5
127.91856	0.4
133.02893	1.1
135.04453	1.1
137.02374	0.7
143.03413	0.7
144.04509	0.6
149.02419	0.5
152.01102	41.3
152.03467	100.0
152.99426	0.4
153.01891	9.0
153.03792	4.1
155.03429	0.8
160.03978	10.1
161.04457	1.5
164.04703	0.6
165.04195	0.6
167.80486	0.4
173.04514	8.1
177.01913	0.9
179.03461	0.5
179.07068	0.8
185.00885	0.5
187.70795	0.4
191.05603	3.1
195.03067	0.5
231.10181	0.4
269.95911	0.4
304.08353	3.7
305.08664	0.7
315.07291	10.4
316.07904	0.9
414.12280	1.7
458.11005	68.5
459.11472	9.1
459.18289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97187	0.7
57.03350	0.7
59.01265	20.6
71.01274	14.4
71.05239	1.3
71.05615	1.5
72.00779	1.7
72.99203	1.0
73.02837	61.4
74.02364	1.7
74.03172	1.3
75.00760	1.0
83.01283	1.0
85.02850	1.6
86.24308	0.6
87.00785	1.3
89.02343	15.2
93.03383	0.8
94.02660	0.6
95.01321	0.6
99.00784	6.1
99.92474	2.3
101.02346	7.3
101.39399	0.7
103.09856	0.7
113.02358	5.6
116.92776	36.6
117.01854	100.0
117.92795	2.3
118.02204	2.8
118.05026	7.2
119.03429	5.2
133.18660	0.8
135.04446	1.2
143.03430	1.4
152.01143	1.0
161.04541	1.8
162.08241	0.7
179.05592	6.2
218.38049	0.7
241.05045	0.6
315.07431	0.8
341.10986	19.3
342.11456	1.9
459.18747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.9
57.03339	11.4
59.01264	72.4
60.01583	1.8
61.98716	5.3
67.01775	1.8
68.99716	1.7
69.03018	1.2
69.03336	6.1
71.01270	26.1
71.58740	1.9
72.99195	5.5
73.02830	5.4
75.00764	18.3
78.95801	1.7
83.01278	4.5
83.04896	1.1
85.02841	27.8
87.00787	10.4
89.02335	9.5
89.60231	1.1
93.03339	5.5
95.01295	8.5
97.02844	3.1
97.06484	1.2
99.00781	14.8
99.04427	5.5
101.02355	8.1
101.05988	33.5
103.00281	3.1
109.02854	1.8
113.02360	40.3
115.00266	1.4
117.01849	4.0
119.03469	2.4
122.02398	100.0
123.02707	2.9
123.04431	2.0
125.02381	2.1
127.07594	1.9
129.01929	2.4
135.04417	2.1
137.02338	1.6
143.03516	1.5
153.05615	1.4
154.94633	1.2
157.01312	1.4
161.01961	1.6
161.04469	1.6
173.04521	15.2
175.02428	7.1
175.03940	3.8
176.04301	2.1
185.00920	3.1
191.05580	4.8
194.05321	1.5
231.05060	3.0
249.06192	19.9
333.12085	10.2
334.12115	1.3
354.08347	3.2
372.09335	7.7
407.01938	1.1
438.13876	1.3
456.15225	86.6
457.15460	12.3
457.21164	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	457.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19744	0.8
55.01766	3.7
57.03323	0.8
59.01267	9.7
61.98721	1.1
67.01785	1.0
69.03345	100.0
70.03677	1.6
71.01274	5.2
71.58015	0.9
71.58424	0.7
72.99192	2.1
73.02836	0.7
78.95789	1.4
79.01818	1.5
83.01285	1.6
83.04929	0.8
85.02850	2.1
87.00784	0.9
89.02325	1.3
93.03371	1.9
95.01302	2.5
97.02857	18.5
99.00780	25.7
101.02345	1.5
104.21517	0.7
107.01300	1.2
111.00803	1.1
113.02383	1.3
123.00800	1.0
125.02375	0.9
135.34602	0.8
135.35905	0.7
138.39015	0.8
141.01877	7.7
151.00293	2.2
173.04497	5.0
178.99796	1.3
185.00888	81.2
186.01141	4.0
191.05630	2.9
195.88260	0.9
217.00356	1.8
227.16577	5.7
271.02560	0.9
374.99118	1.1
413.18262	1.0
415.23892	0.9
457.20532	21.3
458.16452	11.6
458.26581	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	456.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.9
57.03339	11.4
59.01264	72.4
60.01583	1.8
61.98716	5.3
67.01775	1.8
68.99716	1.7
69.03018	1.2
69.03336	6.1
71.01270	26.1
71.58740	1.9
72.99195	5.5
73.02830	5.4
75.00764	18.3
78.95801	1.7
83.01278	4.5
83.04896	1.1
85.02841	27.8
87.00787	10.4
89.02335	9.5
89.60231	1.1
93.03339	5.5
95.01295	8.5
97.02844	3.1
97.06484	1.2
99.00781	14.8
99.04427	5.5
101.02355	8.1
101.05988	33.5
103.00281	3.1
109.02854	1.8
113.02360	40.3
115.00266	1.4
117.01849	4.0
119.03469	2.4
122.02398	100.0
123.02707	2.9
123.04431	2.0
125.02381	2.1
127.07594	1.9
129.01929	2.4
135.04417	2.1
137.02338	1.6
143.03516	1.5
153.05615	1.4
154.94633	1.2
157.01312	1.4
161.01961	1.6
161.04469	1.6
173.04521	15.2
175.02428	7.1
175.03940	3.8
176.04301	2.1
185.00920	3.1
191.05580	4.8
194.05321	1.5
231.05060	3.0
249.06192	19.9
333.12085	10.2
334.12115	1.3
354.08347	3.2
372.09335	7.7
407.01938	1.1
438.13876	1.3
456.15225	86.6
457.15460	12.3
457.21164	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	455.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03331	1.7
58.00490	1.4
59.01265	29.8
67.01764	0.7
69.03353	1.0
69.40730	6.0
71.01269	15.4
72.99191	1.8
73.02832	1.2
79.05418	1.5
81.03333	1.5
83.01273	1.5
83.04892	1.5
85.02856	4.5
87.00789	0.8
89.02340	17.1
93.03345	1.2
95.01270	1.8
95.04915	5.8
96.95923	0.9
97.02851	4.2
98.19801	1.2
99.04372	0.6
101.02350	10.3
105.07008	0.6
107.04931	2.9
108.02071	1.0
109.02860	5.5
109.06502	4.8
111.00807	1.3
111.04418	6.4
111.08068	1.0
113.02352	6.5
115.80838	0.7
119.03411	5.2
119.95451	0.7
121.06520	4.6
122.03654	36.5
123.03938	0.9
123.04488	0.8
123.08118	0.7
124.05241	6.1
125.06044	1.6
131.03398	0.8
133.06496	1.0
135.04424	3.7
135.08110	1.0
136.05232	13.2
137.06023	21.7
138.06844	3.1
139.03767	0.7
139.07582	20.4
140.07903	0.8
145.10149	2.0
147.08098	2.0
149.06004	2.3
150.06741	1.0
151.03926	0.8
151.07590	0.8
157.06546	0.9
159.08083	0.8
161.04552	1.1
163.07573	1.8
163.11205	3.3
165.05481	0.6
171.08115	6.2
172.08754	0.8
173.04581	1.5
173.05943	0.9
174.06886	0.6
177.12799	0.9
179.05569	1.1
185.09700	2.4
187.11256	35.8
188.08488	0.8
188.11588	2.4
189.09225	2.2
190.09958	3.4
191.05638	0.7
198.06821	0.8
203.10777	1.4
205.12317	20.6
206.12668	1.8
213.09195	2.4
216.07912	1.0
229.12367	0.7
231.10277	18.4
232.10692	1.0
249.11354	12.9
250.11761	1.5
264.08594	0.7
273.11322	1.8
275.09277	2.9
291.12100	0.9
293.10385	100.0
294.10635	8.0
335.11438	2.9
406.02652	0.6
455.15695	62.7
456.15988	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	454.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	4.8
61.98714	3.2
63.70200	0.7
63.81944	0.7
69.03345	1.9
71.01264	2.9
71.55820	0.9
72.52269	0.9
73.02835	0.9
77.99505	0.8
81.03362	1.9
85.02846	4.2
87.00783	1.2
89.02317	0.9
93.03365	1.6
95.01296	3.4
97.02854	0.8
99.00751	0.8
101.02304	1.0
108.02081	84.8
109.02882	39.5
110.03204	2.1
113.02310	1.0
114.04756	1.5
114.05528	25.3
121.02879	1.7
123.00800	2.8
123.88085	0.7
125.02351	0.9
133.02849	0.9
134.03673	0.8
135.04430	1.4
135.14119	0.9
138.05505	1.0
151.03951	1.7
152.01094	68.8
153.01888	30.2
154.02235	1.6
156.06604	11.3
163.03964	1.0
165.01862	1.5
173.04480	2.2
177.01892	7.8
179.42310	0.8
191.05579	1.0
204.48534	0.9
297.06354	0.8
338.50525	0.8
384.11081	0.9
454.13663	100.0
455.14050	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	455.0987
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
59.01268	3.5
70.73116	1.5
70.73468	0.8
71.01251	0.9
77.84784	0.7
78.95795	81.3
88.98679	1.5
96.96864	100.0
100.33122	0.8
101.02370	0.8
116.92801	1.0
117.92857	0.7
119.03394	1.0
121.06536	0.8
125.02309	0.9
138.97932	3.0
140.11769	0.7
173.04478	0.9
195.00882	0.7
198.06714	1.9
199.00136	11.8
212.08296	4.2
213.01662	10.0
241.07402	4.0
243.42099	0.9
255.08936	5.4
320.46921	0.7
455.09766	28.7
456.10175	2.9
468.66025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03331	0.8
58.00451	0.4
58.99487	15.2
59.01264	8.9
61.98697	1.3
69.03349	2.0
69.76680	0.2
70.91449	0.4
70.91759	0.3
71.01268	13.5
72.99198	0.4
73.02839	4.1
74.99000	0.6
75.00776	0.3
83.01258	1.3
83.04881	0.4
85.02846	5.0
87.00770	24.5
88.01114	0.3
89.02333	4.7
91.43909	0.3
93.03352	0.4
93.63810	0.2
95.01302	1.2
96.95975	0.3
97.02853	1.1
97.06503	0.3
99.00764	1.4
99.04376	0.4
101.02344	7.8
102.98498	88.4
103.98882	1.2
113.02364	5.8
113.09621	0.3
117.03368	0.3
119.03386	1.7
120.99574	1.9
139.11218	6.6
140.11584	0.7
141.01878	1.1
143.03433	1.1
149.04503	0.4
157.12311	0.5
159.02930	1.3
161.04517	5.9
161.05850	0.5
162.04771	0.3
173.04520	0.7
179.05585	1.3
185.00893	1.2
203.01936	0.7
203.11058	2.1
205.07141	0.9
231.10388	0.4
249.06178	17.3
250.06549	0.8
282.22729	0.2
283.04984	100.0
284.05328	5.5
322.62302	0.3
373.12494	0.3
409.15518	0.5
411.16699	0.6
453.18121	14.9
454.18408	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	455.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03346	2.7
58.00475	0.7
59.01264	19.1
61.98701	0.5
67.01781	0.9
68.99697	0.8
69.03320	1.3
69.75359	1.0
69.75761	3.4
71.01271	18.1
72.99192	5.6
73.02834	1.9
75.00763	22.5
76.96475	0.5
78.95788	1.5
83.01281	1.3
85.02842	25.6
86.03156	0.7
86.99916	0.4
87.00768	8.3
89.02338	4.4
93.03332	0.6
95.01279	6.4
96.95943	0.7
97.02834	0.9
98.19805	0.9
99.00774	13.4
101.02323	1.1
101.05984	45.7
102.06321	0.8
103.00255	3.7
111.00813	1.1
111.01915	1.1
112.73502	0.4
113.02357	35.8
114.02751	0.9
115.00240	2.7
117.01866	5.2
121.02869	100.0
122.03197	4.1
129.01863	2.7
139.00291	0.6
157.01357	1.5
162.89316	2.3
175.02472	5.3
175.03900	0.6
193.03490	1.8
231.05118	2.0
231.97050	0.5
249.06183	7.9
267.09219	0.5
333.11954	5.8
353.08887	4.3
371.09976	6.4
395.13409	0.9
437.14685	1.7
455.15683	90.0
456.16052	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	454.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	63.8
58.03635	0.9
59.01264	31.5
61.98704	2.8
69.03344	1.9
71.01266	17.5
71.58228	1.1
71.58631	1.3
72.99185	1.2
73.02831	8.7
75.00764	1.2
81.03300	1.0
81.20461	1.0
83.01286	3.3
85.02840	3.9
87.00765	5.2
88.90646	0.9
89.02347	9.6
92.04945	2.4
93.03384	1.9
96.95919	2.7
97.06509	1.2
99.00748	1.4
99.04411	15.1
101.02347	21.3
102.02710	1.6
113.02380	5.1
113.51244	1.2
116.04919	1.0
116.32568	1.2
118.02885	2.7
119.03416	2.7
120.04453	4.3
123.04419	3.7
125.02356	3.2
131.03561	3.1
132.03685	1.0
132.04495	9.4
133.04883	1.6
134.06023	1.2
135.04480	1.4
144.04503	6.8
146.02406	27.7
146.06088	1.8
147.03197	23.4
148.04002	8.7
151.36575	1.0
153.05408	1.5
153.09019	1.1
158.06012	2.4
159.10214	1.1
160.03986	45.3
161.04388	3.1
172.03992	7.2
173.04489	2.2
174.05585	6.4
177.01862	7.0
178.05032	1.7
179.02173	7.4
186.05479	4.7
191.05473	1.7
198.48399	0.9
202.05054	9.9
214.05019	4.7
222.74400	1.0
292.08221	2.3
307.02835	1.0
310.09387	100.0
311.09753	7.1
314.77783	1.0
325.49576	1.0
327.98419	1.1
339.50739	1.0
352.10452	60.8
353.10831	5.6
379.26678	1.1
392.13562	18.8
393.14285	1.5
454.13593	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	453.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.01263	5.9
61.98443	0.1
61.98716	0.8
69.03342	2.7
70.88004	0.2
70.88354	0.4
71.01270	1.9
71.31503	0.1
71.44276	0.1
72.99187	0.2
73.02836	0.4
78.95792	0.3
79.19366	0.1
84.11398	0.1
85.02832	0.8
87.00784	0.6
89.02357	1.3
93.03339	0.9
95.01268	0.4
97.02858	1.5
99.00803	0.7
99.04445	0.6
101.02328	0.9
109.02923	0.2
113.02342	0.8
119.03436	0.5
120.99573	100.0
121.99965	1.3
125.02337	0.4
133.02879	0.2
134.03633	0.3
135.04457	0.4
137.23288	0.1
140.11977	0.2
141.01878	0.7
145.02910	0.5
147.04504	0.2
152.99538	0.2
153.05618	0.2
160.05260	0.2
161.04565	0.2
173.04526	0.8
185.00893	2.8
185.10052	0.4
203.01953	3.4
207.10298	0.3
215.03526	0.4
219.08128	0.2
223.13382	0.7
225.11366	0.4
247.07658	0.5
267.12375	0.4
273.11707	1.9
289.05084	0.3
290.05414	0.2
291.06735	1.0
300.24454	0.2
333.07959	0.3
384.42923	0.2
453.12067	1.2
453.17957	1.3
454.18854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02284	1.4
55.01776	1.5
57.03342	7.2
57.09703	0.7
58.49441	0.7
59.01261	17.7
61.19470	0.8
61.98721	5.8
61.99848	0.8
64.66854	0.8
67.01758	2.0
69.03342	55.6
70.03673	1.6
71.00907	0.9
71.01271	16.6
71.57669	1.0
72.99179	1.5
73.02842	5.9
75.00748	1.1
79.01772	5.1
81.03320	1.0
81.06973	0.8
83.01256	2.1
83.04912	6.4
85.02855	4.4
87.00758	3.4
89.02334	3.4
93.03328	1.6
95.01283	12.5
95.04901	1.5
97.02850	73.7
97.06490	1.0
98.03188	2.1
99.00772	9.1
99.04401	1.3
101.02356	6.6
109.02902	0.8
111.00797	1.3
111.08060	2.3
113.02350	6.5
115.00258	0.8
119.03420	1.0
120.99531	0.9
123.00768	4.7
123.08045	0.8
125.02373	1.3
133.10141	1.0
135.11723	2.8
137.09663	1.3
141.01865	100.0
142.02203	3.6
146.98549	0.8
147.07982	0.7
151.11230	1.9
152.01112	0.9
155.07076	2.0
161.13306	3.1
163.04013	0.8
171.10231	3.3
173.04489	4.1
173.05968	1.5
179.10733	12.2
185.00882	34.1
186.01314	1.2
187.04118	1.0
187.07578	2.7
189.12753	1.2
197.11841	1.7
201.05560	1.2
202.06326	3.7
203.01958	13.0
203.14374	2.6
231.10265	6.0
265.14417	0.9
267.12598	3.3
267.16058	24.9
268.16422	1.8
393.15552	3.9
409.18927	5.0
410.19122	0.8
411.16837	5.1
452.33368	5.5
453.17905	47.6
453.33676	3.7
454.18106	7.7
467.37625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.5
55.02019	0.6
57.03330	0.9
59.01265	29.9
59.04343	0.5
61.98702	1.8
69.03345	30.0
69.26539	1.3
69.26949	5.7
70.03665	1.4
71.01270	6.2
71.45743	0.6
72.99183	0.7
73.02834	3.2
79.48657	0.5
83.01272	1.6
85.02843	3.2
87.04420	0.9
89.02346	1.3
89.03860	0.7
93.03365	1.6
95.01290	1.3
97.02859	7.1
99.00771	8.1
99.04436	0.9
101.02347	5.8
103.45564	0.6
105.03395	1.4
113.02350	2.5
117.03362	1.7
125.02372	1.0
132.02090	21.4
133.02898	14.4
134.03670	25.0
135.04378	1.0
137.02304	0.8
139.03932	0.7
141.01866	2.9
145.02870	2.2
147.04434	1.3
149.06036	6.9
151.03874	0.8
158.03690	8.1
160.01610	100.0
161.01935	5.8
161.04558	1.5
173.02550	0.7
173.04498	1.4
173.06050	8.6
175.03966	96.5
176.04324	5.5
177.01944	2.7
177.05501	0.7
178.02661	1.4
179.03474	1.2
185.00880	23.1
186.01273	1.9
191.07100	1.0
191.08655	0.7
193.05046	19.1
194.05380	1.2
201.01941	6.8
202.02696	8.8
203.01843	0.9
217.05060	26.6
218.05428	1.7
219.08157	58.4
220.08441	5.5
223.13435	1.4
235.06148	2.1
235.11876	2.5
247.07678	57.6
248.08023	5.9
263.07178	85.1
264.07507	8.3
267.12521	0.9
274.88275	0.7
291.06693	72.1
292.07007	7.1
378.13168	2.0
393.15585	6.0
411.16660	3.2
438.15527	1.9
453.17801	77.6
454.12482	1.0
454.18170	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	453.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08509	0.7
55.01765	5.2
59.01263	3.3
64.58289	0.7
67.01796	0.8
69.03345	100.0
70.03674	2.8
71.01278	2.2
71.54279	1.6
72.99213	2.0
77.47586	0.8
79.01799	2.3
85.02845	1.3
93.96421	0.8
95.01312	3.6
97.02851	19.3
98.03194	0.8
99.00777	25.6
101.02332	1.1
101.94184	0.7
103.03932	3.8
123.00806	1.3
141.01863	10.1
155.03941	0.9
163.23642	0.8
185.00888	68.1
186.01266	2.9
196.00923	0.7
208.35199	0.7
267.16281	1.5
453.17719	17.6
454.18228	2.8
478.02982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02282	0.4
55.01773	4.2
57.03349	1.5
57.03572	0.2
59.01265	6.9
60.73520	0.3
61.89904	0.3
61.98712	1.4
62.18792	0.3
67.01780	1.1
69.03342	100.0
70.03687	2.0
71.01274	3.5
72.99194	2.5
73.02832	1.3
79.01777	2.6
83.01285	0.5
83.04932	0.3
85.02837	1.6
89.02332	0.8
95.01290	3.4
97.02851	27.8
98.03212	0.6
99.00780	24.6
99.04418	0.8
100.01117	0.4
101.02340	1.2
107.11981	0.3
113.02356	1.3
117.03367	0.5
118.06488	0.3
119.03431	0.5
120.99526	0.4
123.00793	2.2
134.03616	0.4
135.11705	0.3
141.01871	24.1
142.02223	0.7
145.02892	1.9
147.04482	0.4
153.09158	0.8
161.04517	0.8
163.03969	0.7
173.04533	0.7
176.40080	0.3
179.10732	2.2
181.54445	0.3
185.00880	68.6
186.01199	2.8
187.03978	0.4
189.15030	0.3
203.01912	1.4
223.13417	0.4
229.54019	0.3
249.15114	0.3
267.13028	0.6
267.16083	5.9
267.19061	0.3
268.16513	0.6
333.19388	0.6
351.20419	0.7
393.21487	0.8
409.15024	0.5
453.18085	18.2
454.18341	3.0
475.50177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.5
57.03355	0.6
59.01266	17.1
59.50872	0.3
61.98719	2.7
67.01777	0.8
69.03343	100.0
70.03685	2.2
70.58897	1.0
71.01266	3.7
72.99194	2.1
73.02834	1.5
79.01759	2.0
79.95654	0.4
83.01304	0.5
85.02842	1.8
87.00783	1.0
89.02337	0.9
93.03344	0.5
95.01308	2.2
96.95908	2.0
97.02854	21.5
98.03210	0.9
99.00780	24.0
99.04417	0.4
101.02333	2.2
102.98518	0.7
111.00772	0.4
113.02366	1.8
117.03335	0.9
119.03375	0.5
119.04983	0.5
120.99574	4.3
123.00813	1.3
124.21365	0.4
134.03630	1.3
137.87555	0.4
141.01877	9.9
145.02885	2.5
151.03929	0.5
159.03008	0.5
161.04494	0.6
173.04527	1.4
173.09967	0.3
185.00885	76.0
186.01253	2.2
203.01947	5.4
207.10365	0.6
223.13403	6.6
224.13644	0.6
267.12433	7.9
268.12796	0.8
279.63742	0.4
283.05072	0.8
453.13208	6.4
461.89517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53481	0.7
55.01763	3.2
57.03339	1.4
59.01266	30.5
60.01601	1.1
61.98737	1.1
65.82621	0.7
67.01785	1.0
67.02594	0.7
68.99693	1.2
69.03344	100.0
70.03692	2.8
71.01267	8.5
72.99203	2.3
73.02834	5.1
73.25130	0.8
79.01778	1.2
83.01282	2.0
83.04908	1.5
85.02840	6.3
87.00790	1.3
89.02351	1.4
93.03384	1.1
95.01305	3.1
97.02847	22.0
98.20562	2.3
99.00781	30.6
99.04459	1.0
101.02343	7.3
113.02378	4.0
119.03451	1.5
123.00820	0.7
131.03427	0.7
132.02098	8.6
133.02908	3.8
134.03680	12.1
141.01848	7.7
141.09160	1.5
149.04488	0.7
149.06053	1.7
158.03725	2.3
160.01611	36.7
161.02040	1.7
161.04552	2.6
173.04555	1.2
173.06001	1.6
173.09741	0.9
175.03967	40.2
176.04401	1.2
185.00891	79.4
186.01231	3.8
191.10718	1.6
193.05057	8.8
193.06529	0.8
201.02129	1.3
202.02731	1.2
203.02036	2.3
217.05048	4.3
223.13495	2.7
241.78595	0.8
247.07840	1.0
267.12540	2.3
333.18277	1.1
335.09897	1.3
351.19531	2.2
356.11182	1.8
393.15594	0.9
393.20630	1.7
453.18195	28.1
453.31580	2.0
454.18561	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	453.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02312	0.4
55.01775	3.9
56.50478	0.3
57.03335	1.3
59.01268	18.4
60.01584	0.3
61.98719	1.6
67.01790	0.6
69.03345	100.0
69.79819	0.3
70.03677	1.9
71.01278	4.0
71.04914	0.4
72.99204	2.6
73.02837	2.3
75.00764	0.3
79.01778	2.4
81.03353	0.3
83.01278	0.8
85.02831	2.5
87.00786	0.6
89.02328	1.5
95.01292	3.2
95.04927	0.3
97.02856	23.2
98.03190	0.5
98.19807	1.1
99.00784	25.3
99.04417	1.4
100.01137	0.6
101.02341	2.6
101.05982	1.0
111.00737	0.3
113.02364	2.0
115.00341	0.5
117.03344	0.7
119.03452	0.5
119.04970	0.4
123.00796	1.7
125.02304	0.3
134.03625	0.4
141.01872	12.7
142.02228	0.5
145.02882	2.8
149.04506	0.3
159.02986	0.5
161.04527	1.0
163.03944	0.9
173.04503	0.7
183.92290	0.3
185.00890	75.2
186.01205	2.9
187.03964	0.6
189.14948	0.5
195.65385	0.3
197.11823	0.3
203.01962	6.9
219.08035	0.5
223.13435	1.4
231.13994	0.5
247.07654	0.5
267.12457	4.4
267.16000	0.9
268.12814	0.4
291.06836	0.4
333.19247	0.6
351.20126	1.8
360.60690	0.3
393.21265	1.8
395.14801	0.4
409.15170	1.1
411.32147	0.3
453.13614	9.2
454.14453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	4.4
57.03337	20.6
59.01264	43.8
61.98725	3.5
67.01774	1.2
69.03342	100.0
69.63224	4.2
70.03669	1.9
71.01270	13.0
71.04904	1.0
72.99191	3.0
73.02834	11.7
79.01788	1.7
79.95646	0.6
81.03345	1.4
83.01280	4.6
83.34889	0.5
85.02827	3.9
87.00761	1.6
89.02338	3.1
93.03354	1.7
95.01295	2.8
96.95920	8.3
97.02850	23.7
97.06502	1.6
99.00777	25.0
99.04414	13.8
100.01096	0.8
101.02348	15.6
113.02366	5.3
113.03412	1.0
113.05991	0.8
119.03439	1.0
123.00793	1.0
123.04426	4.2
125.02361	7.7
126.02695	0.7
131.03465	0.7
131.05009	0.6
132.02110	2.1
133.06491	1.2
134.03661	9.9
135.04417	2.3
135.05423	0.9
141.01869	6.6
141.05505	1.0
143.03445	2.6
146.08176	5.0
147.04454	21.5
148.04797	1.0
149.04462	1.5
149.06053	1.6
150.03139	1.0
151.03935	1.7
160.01619	8.5
161.04495	4.4
161.06018	4.0
162.40120	0.6
171.08072	0.6
173.04549	3.3
175.03957	12.5
176.04301	0.9
179.03403	0.6
185.00887	84.1
186.01218	4.4
189.05534	1.7
191.05627	1.0
203.01927	5.9
203.05545	0.9
217.12131	0.7
219.08099	3.7
221.06696	1.3
223.13388	5.2
224.13736	0.7
231.10260	1.0
247.07568	1.2
263.07199	0.7
267.12408	8.2
268.44339	0.6
275.09357	0.7
277.12396	4.1
305.08792	1.3
356.11145	2.1
356.97729	0.7
409.13239	0.7
429.26056	0.7
453.13391	11.0
454.14093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37225	0.1
55.01778	0.2
59.01262	2.3
61.98734	0.1
69.03343	6.7
70.03674	0.2
71.01266	0.6
71.30817	0.1
71.35500	0.1
72.99194	0.2
73.02831	0.5
79.01792	0.2
83.01278	0.2
85.02843	0.3
89.02337	0.3
93.03364	0.3
95.01247	0.2
97.02847	1.2
99.00771	1.7
99.04460	0.1
101.02322	0.6
113.02362	0.3
134.03645	0.4
141.01880	0.6
143.03386	0.1
145.02850	0.1
149.04468	0.1
151.03949	0.1
161.04555	0.2
173.04457	0.2
185.00883	4.9
186.01180	0.2
187.03917	0.1
189.12674	0.1
193.06465	0.1
195.74452	0.1
203.02011	0.3
218.07059	0.1
219.08147	5.5
220.08524	0.5
221.06471	0.1
222.68721	0.1
223.13435	0.5
247.07668	100.0
248.08006	10.1
267.12466	0.9
291.06699	0.2
291.10287	0.1
356.10980	0.1
453.11996	1.2
454.12537	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	453.1202
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
55.01757	0.5
57.03325	0.8
58.00481	0.6
59.01265	12.2
60.01593	0.3
65.03848	0.5
65.93550	0.2
66.72830	0.2
68.99722	0.9
69.03359	1.1
69.72176	0.5
69.72582	0.6
71.01268	9.1
72.01611	0.2
72.99213	1.1
73.02834	1.0
75.00763	0.3
75.02262	0.2
83.01269	1.1
83.31438	0.2
85.02845	7.5
86.20477	0.1
87.00784	0.8
88.52805	0.2
89.02337	5.3
89.59339	0.2
93.03358	65.8
94.03687	2.3
95.01282	2.2
96.95901	0.2
97.02853	0.8
98.20525	0.3
99.00781	0.7
99.04452	0.3
101.02348	5.3
107.04938	3.0
108.02126	0.2
109.02878	0.2
111.04404	0.4
113.02356	19.4
114.02682	0.5
115.05428	0.9
117.03371	0.5
119.03400	2.3
119.04944	0.4
121.02892	0.2
125.02336	0.3
125.03860	1.1
135.04442	2.9
139.00285	0.2
141.01880	0.6
141.03429	0.4
143.03403	0.2
143.04971	1.4
145.02876	0.3
147.02861	0.2
147.04460	0.5
153.03366	0.3
159.04486	0.4
161.04535	0.6
167.04933	0.4
169.02896	1.2
173.04546	0.4
181.06514	1.4
185.00861	0.7
187.03976	5.7
188.04355	0.4
191.08655	0.3
193.06573	0.6
197.02368	1.3
198.03214	6.3
199.03645	0.3
202.73630	0.2
203.01942	1.2
203.08633	0.3
204.05801	0.2
205.06551	0.3
206.07233	0.4
209.06058	0.8
211.04012	3.3
213.01924	1.6
215.03491	52.2
216.03833	3.6
217.04158	0.2
217.06580	3.1
218.07219	1.1
219.08141	20.2
220.08472	2.0
221.06134	1.4
221.09592	0.2
228.05818	0.2
230.07388	0.4
231.08177	1.4
231.10263	0.3
232.05273	0.5
232.08821	0.3
233.06036	0.7
233.09738	2.2
234.06905	0.2
234.10149	0.3
241.01463	1.6
243.08174	1.2
245.06099	5.6
245.09753	1.6
246.06885	12.6
247.07655	28.8
248.08000	2.8
258.07013	0.2
259.07709	2.3
260.08386	1.7
261.05688	1.3
261.09274	5.4
262.06134	0.2
262.09637	0.8
263.07208	2.6
263.10782	0.4
264.07581	0.3
271.07721	0.6
273.05664	1.9
273.08676	0.3
274.06223	0.4
275.07166	0.3
276.07953	1.0
277.08615	0.4
279.10376	0.4
287.07181	0.7
289.05164	41.1
289.08664	4.5
290.05756	9.1
290.09149	0.4
291.06683	100.0
292.07025	10.7
292.10428	0.2
303.06839	0.4
304.07471	23.3
305.08139	7.9
305.11731	0.4
306.08655	0.7
307.09848	0.5
315.06644	3.0
316.07211	0.3
332.06796	0.3
333.07739	30.3
334.08102	4.0
334.11951	0.3
335.09497	0.2
345.07877	0.8
357.07657	0.3
363.08783	3.1
363.13034	0.2
364.09161	0.3
369.08325	0.2
375.08835	0.6
376.99509	0.2
393.09848	0.5
411.16602	0.2
435.10794	0.4
453.11993	99.5
454.12335	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	453.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42685	0.2
57.03358	0.2
59.01266	3.8
61.98722	0.3
64.92799	0.2
67.01794	0.2
69.03341	5.1
69.75378	0.9
70.03677	0.4
71.01265	1.2
72.99193	0.2
73.02834	0.7
83.01276	0.2
85.02872	0.3
87.04421	0.2
89.02366	0.3
93.03352	1.4
95.01323	0.2
97.02853	1.1
99.00786	1.8
101.02335	1.1
101.15925	0.2
113.02362	0.5
117.12863	0.2
132.02090	1.0
133.02896	0.9
134.03661	1.6
138.96429	0.2
141.01857	0.5
149.04456	0.2
149.05951	0.3
151.03987	0.2
158.03654	0.4
160.01601	5.6
161.02037	0.2
161.04401	0.3
165.07025	0.5
173.04460	0.4
173.06030	0.2
175.03967	5.3
175.05486	0.3
176.04282	0.2
177.01756	0.3
185.00864	4.0
186.01295	0.3
191.08620	0.5
193.05011	1.0
193.06525	0.5
198.06213	0.2
201.01904	0.3
202.02654	0.3
217.04996	0.9
218.07281	0.3
219.08141	74.6
220.08479	6.7
220.63127	0.2
221.06184	0.3
223.13358	0.2
229.93045	0.2
235.11710	0.2
246.06914	0.3
247.07664	66.7
248.08014	6.5
263.07172	100.0
264.07513	9.7
267.12439	0.2
291.06680	81.2
292.07028	8.4
411.21918	0.2
453.17880	3.8
454.17981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
70.01722	0.1
70.85925	0.3
78.95794	11.0
80.88554	0.2
96.96841	0.3
120.75815	0.1
122.00032	0.2
140.01118	2.0
147.82527	0.2
149.29173	0.1
152.99522	1.5
171.00583	1.1
182.99243	0.1
196.03731	0.9
214.04849	2.5
237.22226	0.2
243.75093	0.1
255.23331	100.0
256.23669	10.2
257.98151	0.1
393.19705	2.0
452.27927	15.8
453.28342	2.4
476.62964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18967	0.2
57.03330	0.3
59.01267	1.1
62.96291	0.2
69.30248	2.0
69.30589	0.2
71.01255	1.2
75.00771	0.4
78.95791	100.0
83.01271	0.3
85.02841	0.4
87.00772	0.6
88.98724	0.2
89.02350	0.6
96.96881	0.8
99.00739	0.3
101.02351	0.4
103.00243	0.3
108.90105	3.4
110.33844	0.2
110.89822	76.1
110.98434	95.2
111.98785	0.6
112.98717	0.8
113.02372	0.2
114.87153	0.2
115.00275	0.4
117.01845	0.3
129.01862	0.4
134.07954	0.2
141.58267	0.2
145.01331	0.8
156.27818	0.2
170.97826	0.4
173.04472	0.3
179.05521	0.3
191.01930	0.2
191.05530	0.2
229.90463	0.2
247.76344	0.2
309.11978	0.2
341.10928	0.7
377.08765	0.4
379.08524	0.4
421.08087	0.4
445.46680	0.2
453.10529	4.8
454.10849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08407	0.1
62.96298	0.3
78.95793	26.7
87.44944	0.1
96.96849	0.5
122.00054	0.8
122.76005	0.1
122.98489	0.1
124.01569	0.1
134.98416	0.2
140.01114	5.7
146.81154	0.1
149.49780	0.1
152.99530	2.9
166.02686	0.3
171.00578	1.1
196.03778	10.0
197.04092	0.4
214.04845	2.0
229.30070	0.1
237.22180	0.1
255.23325	100.0
256.23657	10.4
325.03778	0.1
343.19870	0.1
391.12482	0.1
408.50400	0.1
452.27914	33.9
453.28259	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	451.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.1
57.03341	5.7
58.00473	1.0
59.01270	40.7
60.94055	0.7
61.98708	1.8
62.18191	0.7
67.01776	0.8
68.06946	0.8
69.03340	2.6
71.01270	18.5
71.33500	1.3
72.99194	5.1
73.02839	3.9
75.00769	18.5
82.22500	0.8
83.01290	1.2
84.02070	1.4
85.02849	25.4
87.00773	9.0
89.02348	5.9
93.03362	1.4
95.01292	5.2
97.02882	1.1
99.00781	14.8
99.04426	3.7
101.02345	3.3
101.05988	100.0
102.06329	1.7
103.00282	2.2
113.02362	28.4
114.02668	1.1
115.00278	2.6
117.01855	5.2
117.05478	7.5
125.02374	0.9
129.01862	2.3
139.40491	0.8
141.01819	1.4
143.97395	0.7
157.01358	1.0
173.04568	3.8
173.05855	0.8
175.02434	4.2
185.00902	2.0
193.03511	2.4
205.07179	1.3
249.06261	7.2
267.06866	1.1
277.10098	1.2
333.11966	3.1
348.06885	0.9
349.11581	1.0
351.13049	18.3
352.13385	1.6
375.12909	1.3
393.14127	20.3
394.14468	2.9
433.17245	6.9
451.18332	82.2
452.18701	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	451.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54030	0.6
59.01263	100.0
61.98712	1.1
62.35191	0.7
62.96281	0.6
69.54337	4.1
69.54746	1.5
78.01839	0.7
78.95779	1.6
81.03361	4.0
82.99313	0.8
83.04915	13.5
96.61854	0.6
96.95922	0.8
98.20522	1.6
122.35233	0.7
129.18471	0.8
162.83794	1.3
206.62155	0.8
300.32446	0.7
391.29721	37.9
392.30026	4.9
425.38260	0.8
451.15674	3.4
474.99036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.3
58.02851	0.3
59.01265	2.2
61.98709	0.1
67.01774	0.1
69.03333	0.2
70.02858	0.1
70.62740	0.0
71.01274	0.4
71.59653	0.1
72.04435	0.1
72.99166	0.1
73.02858	0.1
80.04935	0.4
80.20633	0.0
81.03348	7.2
82.03687	0.2
82.06512	0.1
82.44560	0.0
83.04914	20.9
84.05241	0.6
85.02839	0.2
87.00760	0.0
89.02337	0.1
93.03336	0.3
97.02814	0.1
99.04419	0.2
100.07583	0.2
101.02331	0.3
107.06065	0.7
108.04457	1.0
109.02829	0.1
111.04419	0.1
113.02356	0.2
119.03429	0.1
123.00767	0.1
124.01580	0.2
125.02387	0.4
125.07126	2.7
126.05525	0.4
126.07510	0.1
137.02367	0.2
143.08194	1.4
144.08484	0.1
149.99521	0.3
153.09067	0.0
157.13422	0.1
161.04517	0.1
166.12332	0.1
167.53864	0.1
168.00591	0.6
169.13625	0.0
173.04478	0.4
174.04854	0.2
175.04984	0.2
182.15454	0.1
183.14914	0.1
185.00890	0.1
187.07613	0.1
191.05588	0.1
197.16725	0.0
199.18053	0.1
203.01865	0.0
207.15012	3.0
208.13403	0.2
208.15363	0.2
217.06487	0.1
222.16107	0.1
224.17680	4.2
225.16086	12.1
226.16425	0.9
231.10464	0.1
242.18756	1.5
243.19023	0.1
245.06177	0.1
250.15559	0.2
266.18695	0.1
268.16718	0.4
269.17029	0.1
276.09650	0.1
277.10065	0.1
289.05099	0.5
290.22598	0.4
292.20428	0.1
306.22003	0.1
307.17624	0.1
307.24051	0.3
309.21899	0.5
310.22076	0.1
324.23099	0.1
324.26569	1.8
325.27020	0.2
331.06433	0.1
331.17816	0.1
333.23016	4.2
334.23679	0.3
339.27792	0.2
341.29446	0.1
350.24619	0.1
351.24091	1.1
352.24323	0.2
367.27197	1.0
368.27631	0.1
385.28149	0.4
386.28491	0.1
391.23471	0.2
406.30905	0.1
433.31924	6.0
434.32373	1.0
451.09000	0.9
451.32974	100.0
452.09460	0.2
452.33279	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	451.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	5.6
59.01264	100.0
61.01674	2.2
61.98719	70.6
69.03335	6.5
71.01270	30.5
72.99200	2.7
73.02840	8.1
75.00733	2.8
85.02840	8.0
87.00777	4.0
89.02340	34.4
93.03360	13.7
94.03716	2.4
94.80247	2.4
96.95882	3.7
97.02842	6.5
98.19716	3.9
99.00768	7.6
99.04411	6.3
101.02333	25.3
103.03880	2.8
113.02325	10.7
119.03419	6.0
120.61496	2.3
125.02335	5.4
131.03416	6.1
137.02356	3.8
143.03416	4.0
146.93109	2.2
149.04463	21.4
153.01874	3.2
161.04497	3.7
163.03798	2.7
168.04271	2.7
173.04507	28.0
174.04825	14.3
175.04935	10.3
179.05650	2.7
185.00880	3.5
191.05582	13.4
203.01869	2.5
221.06648	5.3
237.59296	2.9
276.09680	2.7
277.09937	3.3
293.12411	4.0
335.13425	3.1
347.45392	2.8
349.18655	3.8
363.36075	2.5
405.52124	2.7
415.16150	33.3
416.16489	4.4
451.13693	42.7
452.13788	3.3
454.41867	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	451.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29764	0.4
54.45139	0.4
55.00964	0.4
55.01777	0.8
57.03347	3.5
58.00472	0.5
59.01267	58.1
59.63468	0.4
60.01602	0.5
61.98723	1.1
67.01791	0.8
67.55187	0.4
68.99712	1.1
69.03343	2.9
69.41849	2.3
69.42259	1.2
71.01270	17.0
72.99204	5.4
73.02833	3.2
75.00765	15.1
75.01192	0.8
81.03374	0.5
83.01296	1.3
84.02050	0.4
85.02847	19.1
86.03194	0.5
87.00773	6.4
89.02341	5.7
93.03358	1.5
95.01288	5.2
96.95914	0.4
97.02857	2.7
98.20530	0.8
99.00784	10.6
99.04422	4.3
101.02354	3.1
101.05988	41.7
102.06332	1.0
103.00288	2.4
108.77440	0.4
111.00793	1.1
111.04469	0.5
113.02362	23.4
114.02682	1.0
115.00293	1.8
117.01853	2.8
117.05495	12.7
118.05839	0.9
119.03428	0.9
123.25156	0.4
125.02470	0.5
129.01900	1.2
131.03459	0.4
133.02786	0.6
134.03661	0.5
137.02373	0.6
141.01895	2.4
145.02905	0.7
151.11221	0.8
157.01358	0.8
161.04485	1.7
173.04567	3.5
174.04869	0.8
175.02464	3.4
175.04962	0.7
175.86421	0.4
179.05667	0.4
185.00885	3.0
191.05579	1.3
193.03505	2.4
195.10339	0.9
205.07153	1.3
223.08319	0.7
229.14484	1.0
231.05055	0.8
247.08260	0.5
249.03781	0.7
249.06198	5.8
250.06577	0.4
267.06921	1.6
276.09650	0.6
277.09933	1.0
279.06598	0.6
291.07208	0.4
309.08371	2.1
323.05597	0.9
326.64941	0.4
333.11960	3.2
338.08209	0.7
341.10379	1.6
349.11441	1.2
351.13016	6.5
353.10297	1.1
354.10455	0.4
367.12552	3.2
371.11377	0.9
375.12994	0.6
391.23572	6.7
393.14093	12.4
394.14423	1.2
433.17154	7.6
434.17386	1.0
451.07498	2.7
451.18243	100.0
452.07941	0.8
452.18607	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	450.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15799	0.2
57.03335	0.7
58.30017	0.2
59.01263	32.6
60.01600	4.5
61.01688	4.5
61.98716	100.0
62.02027	0.4
63.99142	0.6
71.01272	2.9
71.57960	0.4
71.81699	0.2
72.99196	0.5
73.02834	0.7
75.00767	0.4
85.02845	1.1
89.02330	1.5
93.03371	0.4
96.95965	0.4
101.02336	1.4
102.02681	0.4
109.02851	0.3
113.02386	1.3
119.03443	0.5
123.08098	0.5
125.02333	1.6
126.02732	0.5
129.01971	0.3
135.04393	0.3
152.00677	0.3
153.01843	0.4
161.04475	0.7
173.04485	1.2
174.04834	0.6
179.05582	0.3
188.08070	0.4
191.05566	0.6
199.63802	0.3
203.08229	0.4
208.14252	0.6
210.14667	0.3
221.96088	0.2
259.06287	0.6
260.06549	1.0
269.04626	0.7
270.04932	1.3
275.09399	0.4
276.09604	1.2
288.06076	0.6
389.21490	0.3
390.21994	1.5
406.37579	0.3
450.10544	1.2
451.12186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15799	0.2
57.03335	0.7
58.30017	0.2
59.01263	32.6
60.01600	4.5
61.01688	4.5
61.98716	100.0
62.02027	0.4
63.99142	0.6
71.01272	2.9
71.57960	0.4
71.81699	0.2
72.99196	0.5
73.02834	0.7
75.00767	0.4
85.02845	1.1
89.02330	1.5
93.03371	0.4
96.95965	0.4
101.02336	1.4
102.02681	0.4
109.02851	0.3
113.02386	1.3
119.03443	0.5
123.08098	0.5
125.02333	1.6
126.02732	0.5
129.01971	0.3
135.04393	0.3
152.00677	0.3
153.01843	0.4
161.04475	0.7
173.04485	1.2
174.04834	0.6
179.05582	0.3
188.08070	0.4
191.05566	0.6
199.63802	0.3
203.08229	0.4
208.14252	0.6
210.14667	0.3
221.96088	0.2
259.06287	0.6
260.06549	1.0
269.04626	0.7
270.04932	1.3
275.09399	0.4
276.09604	1.2
288.06076	0.6
389.21490	0.3
390.21994	1.5
406.37579	0.3
450.10544	1.2
451.12186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04014	0.6
52.58863	0.6
57.03334	4.2
59.01267	19.5
59.84480	0.7
61.98719	26.3
67.01765	2.2
68.72579	0.7
69.03346	10.5
70.48510	0.7
71.01271	11.1
71.04901	2.4
71.57971	1.2
72.99173	1.9
73.02838	3.3
75.00764	3.1
78.95811	0.7
81.03336	1.3
83.01270	1.1
83.04919	1.6
85.02847	6.5
87.00764	2.3
89.02339	6.3
93.03361	13.8
94.03672	4.4
95.01282	2.3
97.02857	2.5
97.06469	0.8
99.00790	5.3
99.04414	2.6
101.02359	7.3
101.05988	7.0
103.00303	0.7
103.63339	0.7
110.65795	0.7
111.00784	1.0
111.04408	2.6
112.04789	1.0
113.02351	6.9
117.01853	3.9
117.03322	0.9
117.05486	11.0
119.03413	2.6
122.05987	0.8
122.76483	0.7
125.02370	1.0
129.01848	0.7
133.02879	3.1
134.03691	5.1
135.04395	3.4
137.02402	3.5
138.02728	1.5
152.07089	1.2
155.03426	2.3
156.03738	1.0
157.03960	0.7
161.04489	1.5
162.03227	1.8
163.03554	1.3
169.12401	1.6
173.04507	35.7
174.04845	14.5
175.02574	1.0
175.04958	10.8
176.05267	0.9
185.00868	6.1
186.01303	0.9
191.05569	3.8
203.01935	1.1
217.06586	22.3
218.06914	2.4
223.07962	0.9
231.10309	3.6
232.10628	2.5
233.10852	3.1
245.06123	26.1
246.06497	2.6
249.06247	2.0
259.09753	2.5
275.09283	7.4
276.09656	8.8
277.09818	11.1
281.09442	0.7
289.05130	100.0
290.05496	10.7
293.03116	0.6
331.17813	1.0
333.12045	1.7
349.18655	1.9
351.20282	5.2
388.15988	3.7
391.19870	0.9
451.18311	13.2
451.28659	1.2
452.18604	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	449.2767
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01757	0.5
57.03327	0.8
58.00465	1.3
59.01267	23.2
60.01586	0.4
61.98713	1.0
69.03339	0.5
71.01268	12.9
71.59428	0.5
72.01591	0.3
72.99190	1.1
73.02821	0.9
75.00761	0.3
78.95777	1.5
83.01273	1.3
85.02836	2.7
86.89947	0.3
87.00770	1.1
89.02338	12.1
93.03339	1.3
95.01273	1.0
99.00768	0.4
101.01697	0.7
101.02346	9.0
113.02351	5.2
113.09646	4.5
119.03413	4.4
127.11199	1.9
133.02917	0.4
141.12752	0.4
155.10687	1.5
161.04482	0.7
173.04509	4.2
191.05515	0.4
211.20662	1.4
223.20621	0.8
236.60190	0.4
239.20131	3.2
240.20589	0.4
241.21756	10.1
242.22063	0.7
255.23380	0.9
269.21283	1.2
271.22809	0.7
274.60681	0.3
275.09326	0.7
283.22934	0.5
287.22336	33.2
288.22720	2.6
329.23505	0.7
389.21658	0.4
449.27646	100.0
450.17624	0.8
450.27994	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	449.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
57.03319	1.1
58.00472	1.2
59.01265	27.2
60.01605	0.8
61.98701	2.6
62.96298	8.0
62.97948	0.6
67.01770	0.6
71.00902	0.9
71.01271	14.4
71.25105	1.2
72.99187	1.8
73.02818	1.1
78.95798	24.6
80.97363	12.1
83.01273	1.0
85.02858	3.7
87.00783	1.1
89.02341	10.2
93.03351	2.5
94.99484	0.5
95.01269	0.9
96.95896	1.2
98.89703	0.5
99.00742	1.0
101.02357	9.2
106.97925	0.6
113.02367	4.5
113.09615	1.2
119.03431	4.2
120.35178	0.6
122.89157	0.5
127.11183	3.4
134.03679	1.3
137.02298	0.7
141.12755	1.3
149.00037	5.9
160.98772	0.5
161.04459	0.7
162.90366	0.7
173.04515	7.7
179.01202	0.7
179.05603	1.0
183.88510	0.5
205.15939	2.9
211.20612	1.0
223.20793	0.6
239.20221	3.1
241.21761	10.5
242.22237	0.8
242.98282	2.0
255.23286	0.9
269.21344	0.8
271.22830	1.1
275.09454	1.2
283.22806	1.3
286.07623	0.6
287.22336	32.8
288.22672	2.6
313.07513	3.6
329.23358	0.9
355.16907	7.4
356.17331	0.8
377.20334	0.6
382.44156	0.7
385.17932	8.9
386.18338	1.4
389.21783	0.8
393.33359	0.7
431.19461	0.7
431.90988	0.6
449.15054	35.8
449.27643	100.0
450.13870	10.8
450.20801	0.9
450.21957	1.2
450.27982	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	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17531	0.3
57.03341	1.7
58.00493	0.9
59.01265	100.0
60.01606	1.4
60.99195	0.8
61.27307	0.4
61.98727	2.1
62.18420	0.4
67.01775	3.4
67.91030	0.4
69.03352	1.6
69.42661	0.4
69.76935	2.1
71.01271	18.4
72.00382	0.4
72.99208	1.4
73.02841	1.2
74.20082	0.4
75.00768	0.9
81.03362	0.9
83.01281	0.7
83.04927	1.7
85.02842	6.7
87.00783	2.8
89.02338	20.6
93.03358	23.1
94.03734	0.8
95.01290	0.6
95.04915	0.7
97.02849	0.9
97.06538	0.5
99.00799	1.4
99.04437	2.3
101.02345	8.7
105.03365	2.1
109.02897	1.2
111.00800	0.8
111.04416	4.7
113.02353	7.8
115.03924	0.5
117.03391	1.1
119.03415	10.1
119.04818	0.5
121.02882	0.7
123.04433	0.8
125.02405	0.9
127.03926	1.0
129.01805	0.4
131.03448	1.0
133.02881	6.5
134.03674	10.6
135.04500	4.1
137.02373	4.6
143.03459	2.2
146.03685	0.4
148.05275	0.8
149.02518	0.5
149.04480	0.7
149.99094	0.4
153.09146	3.3
155.03473	4.5
156.03719	0.4
158.03702	0.5
159.04468	1.3
161.02391	1.0
161.04498	4.2
162.03178	1.7
172.05252	1.4
173.04514	69.8
174.03186	2.9
174.04865	2.8
174.06848	1.4
177.01894	1.3
178.02711	0.8
179.05568	7.8
179.07001	0.8
187.03986	1.3
187.07593	4.3
191.05582	18.1
192.05928	0.8
197.06122	1.8
198.06873	0.8
202.06372	1.1
203.10760	3.8
209.15433	2.1
213.09227	10.4
213.11226	0.4
214.09648	1.0
215.07117	2.4
227.16559	0.9
229.08647	0.9
231.10283	26.6
232.10660	1.9
235.95569	0.4
247.09885	0.5
257.08224	9.8
258.08582	0.8
275.09317	34.2
276.09686	4.0
311.35220	0.4
349.11353	0.6
388.27213	0.4
389.21887	19.0
390.22141	2.2
449.14624	6.2
449.23303	0.7
450.15244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1512
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01268	11.3
61.98706	2.2
62.96297	20.2
69.54590	6.3
71.01257	1.7
78.95798	58.1
80.96265	1.1
80.97364	26.5
93.03360	3.0
96.95897	0.8
101.02335	1.0
101.73665	0.7
134.03625	0.9
149.00041	14.5
151.00502	0.7
152.99547	1.3
158.00926	0.7
158.16692	0.9
160.84138	1.5
162.83862	5.1
173.04526	12.4
179.01137	1.1
205.15947	5.8
215.58876	0.8
239.11052	0.8
242.98293	4.2
275.09387	1.7
285.12701	1.9
353.95816	0.9
355.16888	14.9
356.17017	1.7
385.17978	16.6
386.18341	1.9
389.21762	1.5
448.26431	1.4
449.14984	100.0
450.15292	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	449.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22109	0.9
56.75489	0.7
57.03322	2.8
57.36503	0.8
58.00467	1.1
59.01267	28.3
61.98708	1.3
67.01779	1.6
71.01271	20.8
71.56287	1.6
72.99203	5.5
73.02851	2.1
75.00764	24.5
76.84505	0.9
78.95792	1.8
81.87862	0.8
85.02845	26.4
87.00781	8.7
89.02338	6.4
93.03351	3.9
95.01289	6.3
97.06490	1.0
99.00780	12.3
101.02334	1.4
101.05988	78.4
102.06328	2.1
103.00282	2.1
107.58942	1.1
111.00785	1.0
111.04429	1.5
113.02359	31.0
114.02687	1.4
115.00269	2.7
115.07563	67.8
116.07901	2.4
117.01853	3.7
129.01851	3.1
137.02284	1.1
140.99080	1.0
157.01352	1.6
173.04547	12.2
175.02484	5.8
191.05542	2.8
204.79306	1.0
205.07239	1.1
209.41367	1.0
231.05127	1.2
249.06215	5.0
275.09286	2.5
333.11957	3.3
347.13586	2.8
351.12924	5.5
365.14615	3.9
389.22217	1.4
431.19189	1.3
449.20416	100.0
450.21115	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	449.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
57.94290	0.2
58.00482	0.2
59.01033	0.2
59.01261	2.0
59.74434	0.2
60.99189	0.6
62.00557	0.2
65.03809	0.3
67.01775	5.2
69.03358	1.0
71.01271	3.0
71.37571	0.3
71.37919	0.2
73.02808	0.2
81.03357	1.1
83.04939	1.2
85.02827	0.6
87.00761	1.0
89.03892	0.2
93.03357	30.2
94.03703	0.7
95.04928	0.3
96.02048	0.3
97.06458	0.4
99.04350	0.2
105.03374	1.1
109.02857	0.8
111.00783	0.7
111.04432	5.6
113.02367	0.5
115.03870	0.2
117.03380	0.6
127.03878	0.2
129.01863	0.2
133.02870	3.6
134.03665	6.5
135.04500	1.6
137.02359	4.4
141.36061	0.2
145.02956	0.2
155.03444	4.7
156.03738	0.2
161.02443	0.3
162.03197	1.4
168.85579	0.2
173.04506	100.0
174.03468	0.3
174.04858	3.9
177.01903	0.3
187.07613	0.3
191.05605	0.8
231.10280	5.7
232.10664	0.4
259.07819	0.4
260.12311	0.3
266.15854	0.2
275.09326	11.1
276.09570	0.9
287.07166	0.5
447.69601	0.2
449.14627	3.6
450.15109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
56.71406	0.5
57.03340	2.9
58.03712	0.5
59.01266	18.8
60.99189	0.8
67.01779	5.1
69.03340	9.0
70.10136	0.5
70.45110	2.0
71.01270	11.1
72.99178	1.1
73.02844	1.2
81.03331	0.9
83.01289	1.3
83.04925	1.9
85.02834	3.3
87.00786	2.1
89.02341	8.2
93.03357	27.7
94.03695	0.6
95.01294	1.2
95.04914	1.0
97.02853	2.4
97.06492	4.0
99.00770	2.8
99.04417	0.5
101.02344	7.8
105.03376	3.5
109.02850	1.5
111.00779	0.9
111.04432	5.9
113.02352	4.5
117.03381	1.8
119.03403	2.4
119.04909	0.8
123.04468	0.7
129.01822	0.7
133.02876	11.5
134.03662	20.7
135.04485	5.4
137.02373	5.5
141.01888	1.5
143.03426	0.8
149.02364	0.6
151.11211	15.8
152.11600	1.0
155.03441	6.1
161.02443	1.3
161.04517	3.8
162.03168	6.5
169.12291	100.0
170.12617	5.8
173.04506	94.1
174.04868	3.9
177.01875	2.7
178.02682	1.8
179.05594	1.5
183.57391	0.5
185.00885	5.7
186.01184	0.5
187.07550	1.5
191.05585	2.1
195.10214	2.1
203.01897	1.8
203.10672	0.7
213.11311	15.7
214.11774	0.9
230.31252	0.6
231.10272	17.6
232.10664	1.8
235.08331	0.7
253.09319	5.7
275.09311	51.2
276.09549	5.1
281.67224	0.5
351.07263	0.6
389.21912	2.5
449.14755	6.8
449.20337	90.0
450.15057	1.0
450.20673	11.6
457.90823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76041	0.2
59.01269	4.3
61.98721	0.7
62.96295	23.8
67.05772	0.2
69.03320	0.3
70.90864	0.2
71.01262	0.7
71.59509	0.4
75.24752	0.2
78.95795	59.7
80.97362	33.0
82.76261	0.3
85.02849	0.4
87.59843	0.2
93.03369	0.6
101.02357	0.3
121.02807	0.2
126.28041	0.2
134.03622	0.4
149.00034	14.2
150.33490	0.3
151.01613	0.4
152.99500	0.7
160.84171	0.5
161.04564	0.3
162.83888	1.2
171.10182	0.4
173.04543	2.5
179.01111	1.7
187.63518	0.3
205.15973	7.6
206.16318	0.7
208.43216	0.3
242.98293	5.6
275.09390	0.7
285.12775	1.8
286.12906	0.3
355.16873	17.6
356.17157	1.4
364.12109	0.3
377.08310	1.6
385.17935	22.6
386.18207	2.7
389.22040	0.3
441.16711	0.8
448.26443	0.6
449.15073	100.0
450.15469	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	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.2
57.03332	0.8
59.01265	100.0
60.01590	1.1
61.98700	0.3
69.03341	0.3
69.46998	1.1
69.47419	0.6
71.01267	5.3
72.99202	0.3
73.02825	1.2
75.42963	0.2
83.01288	0.8
85.02840	2.0
87.00764	0.3
89.02336	4.3
89.02840	0.3
91.08797	0.2
93.03353	0.5
95.01350	0.3
97.95158	0.2
98.19803	0.4
99.00802	0.6
99.04430	0.4
101.02351	4.0
102.02754	0.2
111.04520	0.2
113.02369	2.8
119.03409	1.7
125.02364	0.3
125.81503	0.2
131.03497	0.2
137.02475	0.3
143.03447	0.7
150.03236	0.3
151.65439	0.2
159.03012	0.4
160.04047	0.3
161.04506	3.1
173.04503	1.4
179.05623	0.5
185.06009	0.2
191.05580	2.2
201.09137	0.3
205.03558	0.2
225.14871	0.2
229.08679	1.2
255.06712	0.5
264.79053	0.2
273.07797	0.7
284.03427	0.4
285.04199	0.4
336.92950	0.2
387.20300	8.7
388.20676	1.0
431.19449	0.4
447.13831	0.3
447.22675	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	448.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41022	0.2
56.03091	0.2
57.03331	0.7
59.01265	40.9
59.05256	0.2
60.01606	3.9
61.01691	1.0
61.98717	100.0
69.46130	0.5
69.46534	1.6
71.01273	5.0
72.01610	0.7
72.99204	0.4
73.01704	0.2
73.02839	0.8
78.35513	0.2
83.01269	0.7
85.02840	1.5
86.03180	0.4
87.00781	0.4
89.02342	4.4
90.02679	0.7
93.03367	0.4
95.01280	0.5
98.20528	0.3
99.00768	0.5
101.02355	2.9
102.02682	0.6
111.04430	0.3
113.02354	1.9
114.02663	0.5
119.03425	1.7
120.03717	0.5
123.08079	0.4
125.02371	2.8
134.03665	0.3
143.03375	0.4
151.00266	0.6
153.01888	0.3
153.09074	0.5
154.09471	0.4
155.03355	0.3
158.03729	0.2
159.02888	0.4
159.04417	0.5
161.03453	0.2
161.04489	1.9
162.04758	0.7
163.04993	0.3
173.04401	1.0
173.05904	0.4
178.99716	0.4
179.03380	0.2
179.05585	1.0
180.05844	0.3
187.07489	0.8
189.12770	0.4
190.13084	0.2
191.05495	0.8
202.06146	0.2
207.13881	0.5
208.14081	0.6
225.14723	0.3
226.15283	0.6
259.06137	1.7
269.04636	1.6
275.09341	2.4
287.05630	1.3
387.20010	1.3
388.20630	6.6
389.21115	0.6
432.19165	0.2
448.22305	0.3
449.10718	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.9
57.03334	2.1
58.00483	1.8
59.01264	100.0
60.01613	1.2
60.33290	0.5
61.98722	1.1
69.03341	2.1
71.01270	24.7
71.13725	0.9
72.01614	0.7
72.02121	0.6
72.99200	2.3
73.02834	5.4
76.88505	0.5
81.03357	0.5
83.01297	2.3
85.02836	9.5
87.00773	1.8
87.07074	0.5
88.98733	0.6
89.02337	24.4
93.03361	0.9
95.01277	2.5
95.01837	0.5
96.95958	0.6
97.02868	0.8
99.00761	2.7
99.04415	1.0
101.02347	19.5
111.61105	0.7
113.02350	10.7
116.92780	0.6
119.03416	9.9
119.44878	0.6
125.02364	0.8
131.03404	0.9
143.03427	1.5
149.04509	1.6
161.04434	4.4
169.85822	0.6
173.04510	1.7
179.05521	3.6
185.00853	1.1
191.03854	0.5
191.05531	2.6
195.13823	0.8
195.99081	0.5
197.15536	0.6
207.13907	2.5
221.95171	0.6
225.14964	6.7
229.08743	2.1
231.10355	0.8
273.07629	0.9
374.63925	0.6
387.20331	87.9
388.20685	10.3
405.21365	1.3
411.16583	3.2
447.22391	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	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14680	0.2
57.03327	0.3
59.01263	100.0
60.01602	1.2
61.98717	0.7
66.41805	0.2
70.86516	0.4
71.01265	4.0
73.02834	0.8
83.01282	0.4
85.02827	1.3
87.00756	0.2
89.02331	1.9
89.33852	0.2
95.01291	0.3
99.00785	0.4
101.02340	2.3
113.02356	1.9
119.03414	0.9
123.08078	1.5
137.09657	0.4
143.03444	0.4
159.02997	0.4
161.04497	4.2
162.04781	0.3
163.11256	1.3
179.05602	1.4
189.12830	2.5
205.03583	0.2
207.13879	4.7
208.14275	0.4
225.14958	1.4
324.28778	0.2
381.47156	0.2
387.20303	3.5
388.20679	0.4
431.19464	0.2
447.22498	1.3
448.23111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03338	0.8
58.00481	0.5
59.01264	100.0
60.01602	1.0
61.98727	0.4
67.88651	0.3
71.01269	8.9
71.07732	0.9
71.29623	0.3
72.99210	0.7
73.02829	1.8
75.00744	0.4
75.59922	0.3
83.01260	0.5
85.02848	1.7
87.00791	0.5
89.02336	13.1
101.02348	6.3
106.97861	0.3
107.01256	0.3
113.02352	4.5
113.03078	0.4
119.03426	5.1
128.27490	0.3
131.03435	1.0
139.02246	0.4
143.03442	1.6
149.04527	0.8
159.02913	0.3
161.04494	3.8
173.04521	0.7
179.05568	6.4
191.05635	0.3
198.61806	0.3
211.33289	0.3
225.15001	1.0
227.03503	5.1
228.03870	0.6
255.03008	6.9
256.03601	1.0
284.03329	6.1
285.04083	1.8
387.20248	2.5
388.20544	0.4
447.09412	9.5
447.22455	2.1
448.09628	1.3
448.23032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48458	0.2
59.01265	11.4
61.98714	1.5
62.96272	0.4
64.14915	0.2
71.01260	0.9
71.57795	0.4
72.99213	0.3
78.95794	52.5
85.02824	0.5
89.02346	0.8
94.55396	0.2
96.96278	0.5
96.96864	6.6
101.02326	0.5
113.02340	0.4
119.03404	0.3
122.97842	0.3
132.52303	0.3
136.20851	0.3
137.54886	0.3
141.10776	0.3
149.00040	1.0
150.97913	1.6
152.99524	100.0
153.99849	2.1
159.01427	0.7
161.04491	0.8
171.00589	4.8
211.13412	0.9
225.14908	0.5
243.34283	0.3
247.03795	0.2
284.03372	0.5
285.04022	0.6
293.21146	0.6
387.20377	1.0
414.49734	0.3
447.13559	3.6
447.21637	15.1
448.13983	0.3
448.15903	0.3
448.21814	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	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
58.00501	0.5
59.01265	100.0
60.01604	1.2
70.34975	0.3
71.01269	8.3
71.11494	0.5
72.99211	0.4
73.02837	2.0
81.03352	0.4
83.01272	0.7
84.99728	0.2
85.02840	1.7
87.00781	0.7
89.02336	12.0
90.02702	0.3
95.01295	0.7
97.44958	0.3
99.04443	0.4
101.02347	4.3
108.26212	0.2
108.65846	0.3
113.02356	4.4
118.81339	0.3
119.03423	4.9
126.02547	0.3
131.03459	0.8
132.91930	0.3
143.03429	1.4
149.04543	0.7
161.04517	2.4
167.03479	0.7
179.05568	11.0
191.23299	0.3
221.11748	0.3
229.72997	0.4
294.04797	0.3
387.20520	0.9
405.21698	0.5
447.22699	1.2
448.22723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35960	0.1
57.65640	0.1
59.01265	2.3
61.98709	0.9
62.96290	1.1
66.38840	0.1
70.45309	0.5
71.01286	0.2
72.72702	0.1
78.95794	37.8
96.95921	0.2
96.96861	2.2
97.00171	0.1
101.02343	0.1
107.85538	0.1
114.68185	0.1
114.74802	0.2
148.13972	0.1
149.00035	18.4
150.00397	0.2
151.01645	0.2
152.99507	0.5
156.23521	0.1
158.92467	1.6
161.04507	0.2
179.01097	2.6
196.74521	0.1
205.15929	1.5
206.16299	0.2
210.95717	0.1
211.13417	0.3
240.96724	0.4
267.11646	0.3
285.04083	0.2
299.04904	0.1
332.82822	0.2
333.06876	0.2
346.52087	0.2
347.08279	0.5
367.16885	0.3
417.12582	0.9
431.10342	2.4
432.10962	0.3
447.13513	100.0
448.13858	13.1
464.10486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27586	0.5
59.01268	13.9
68.97309	0.6
71.01260	1.8
72.99201	5.0
73.02831	1.1
75.00790	2.7
78.95810	1.1
87.00774	0.7
88.98679	1.0
89.02342	1.2
96.96870	1.4
99.00791	0.8
101.02360	1.4
104.03432	1.8
105.01842	100.0
106.02167	1.6
113.02348	1.0
129.04474	0.5
134.04259	0.5
161.04433	1.2
223.18280	0.7
315.22446	0.6
387.20499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.6
61.98695	0.5
65.95125	0.2
66.79337	0.2
70.35406	1.0
71.01247	0.7
73.81052	0.2
78.95794	5.6
89.02319	0.4
98.20518	0.5
108.16299	0.2
110.97758	0.3
110.98447	4.6
113.02301	0.2
116.81199	0.2
121.07072	0.2
123.84026	0.2
127.07553	0.3
152.99472	0.4
153.09140	0.3
167.01120	2.1
185.02187	4.2
209.11790	0.4
233.22739	0.3
235.12927	0.2
256.00034	0.2
259.20731	0.7
269.04712	0.3
275.20129	0.3
277.21783	100.0
278.22125	10.9
278.60773	0.3
382.84320	0.3
418.62906	0.3
445.23746	8.6
446.23944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01262	8.2
61.30308	0.4
61.98709	0.8
65.00217	0.5
69.44798	2.9
73.02812	0.5
73.26051	0.4
83.01291	0.8
85.02855	0.7
89.02347	0.8
93.03347	0.9
101.02377	0.7
102.65421	0.4
107.01295	0.6
125.02352	0.6
132.02094	0.5
135.00829	0.7
143.04906	0.4
151.00304	2.5
153.01927	0.6
159.04491	0.5
163.00323	1.0
165.01819	0.5
173.04535	1.5
173.05907	0.4
174.03200	0.6
178.99860	0.7
182.03648	0.5
183.04434	1.7
185.06029	1.0
187.03911	0.7
189.05592	0.4
191.05608	1.0
195.04408	0.4
200.04736	0.6
210.12216	0.4
211.04044	1.9
212.04568	0.4
213.05551	0.4
227.03505	83.5
228.03877	6.2
229.05070	2.3
229.08694	1.1
239.03464	0.7
241.05072	0.7
255.03027	100.0
256.03555	15.0
257.04562	2.0
273.08011	0.5
284.03323	70.6
285.04022	30.0
286.04443	2.6
327.05161	1.4
342.77481	0.4
387.20178	0.4
447.09402	96.3
448.09738	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	447.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79865	0.3
57.03333	1.6
58.00489	0.5
59.01265	100.0
60.01604	1.0
60.87149	0.3
61.05719	0.3
61.98725	3.2
65.00227	0.4
69.03347	0.6
70.33581	0.4
70.33928	1.2
71.01270	12.1
72.99192	1.0
73.02840	3.8
75.00764	0.9
80.91454	0.3
83.01283	1.0
83.04891	0.3
85.02840	3.0
87.00822	0.8
89.02340	11.3
89.51156	0.3
93.03368	1.7
95.01283	0.7
97.02867	0.4
99.00819	0.9
99.04436	0.8
101.02351	7.9
107.01304	0.7
109.02865	0.6
113.02361	4.9
115.03913	0.3
119.03429	5.0
125.02397	0.9
131.03452	1.0
135.04501	0.3
137.02357	0.4
137.09700	0.4
138.01949	0.5
139.02315	0.4
143.03407	2.0
146.62988	0.3
149.04562	0.5
151.00319	1.8
153.01868	0.6
159.02866	0.6
159.41199	0.3
161.04507	6.8
163.00296	0.5
173.04539	3.1
173.05885	0.5
174.03299	0.4
175.03922	0.3
178.99875	0.5
179.05556	5.5
179.07004	0.5
180.25775	0.3
183.04448	0.5
185.06035	0.4
189.12756	0.4
191.05609	1.9
199.03987	0.4
200.04784	0.6
207.13809	0.6
211.03969	1.1
211.07547	0.5
211.13348	0.4
212.04762	0.4
213.05563	0.4
225.15038	1.8
227.03502	49.2
228.03865	3.2
229.05043	1.3
229.08702	2.3
239.03777	0.3
241.04970	0.3
245.86020	0.3
255.03027	61.8
256.03577	9.1
257.04544	1.1
269.04514	0.3
273.07663	1.6
284.03326	52.2
285.03998	18.6
286.04443	1.0
327.05157	0.9
369.19583	0.4
387.20273	5.8
388.20676	0.5
405.21396	0.4
447.09396	85.4
448.09717	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	445.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01614	1.6
61.98727	2.4
69.71011	2.5
69.71426	1.5
71.01281	2.0
78.95788	1.5
84.88763	0.6
85.02853	0.9
89.02351	1.6
91.03889	3.1
96.95923	5.8
99.13171	0.7
101.02385	1.2
113.02361	0.9
119.03456	0.7
121.02887	0.9
152.99460	1.1
153.09157	1.2
161.04507	1.0
169.29729	0.7
173.10295	0.8
183.19136	0.7
205.12294	0.8
211.13358	1.3
223.13417	1.4
247.02512	1.1
248.37457	0.7
249.18788	1.3
269.04709	2.6
293.21396	1.0
294.21628	0.8
311.22366	13.4
312.22910	2.1
339.30093	0.7
341.94614	0.7
343.25809	0.6
385.19135	2.5
394.29724	0.7
410.14523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03339	2.0
58.00480	1.6
59.01266	100.0
60.01608	0.9
69.03334	2.2
69.21856	5.4
71.01272	32.9
72.01594	0.7
72.99210	1.8
73.02837	5.1
75.00770	0.8
83.01279	2.4
84.62612	0.4
85.02840	7.9
87.00774	2.5
89.02339	39.1
90.02656	0.9
93.03383	0.5
95.01296	1.6
97.02855	1.1
99.00817	1.0
99.04434	1.1
101.02347	22.4
102.02684	0.5
107.04937	0.5
111.04438	1.1
113.02357	17.9
119.03422	18.0
119.04255	1.0
123.00812	0.5
123.08075	0.6
124.01614	0.8
125.02372	1.3
131.03452	1.9
137.09619	0.5
138.01860	1.0
139.03970	1.0
139.48325	0.4
143.03429	4.3
147.08124	0.5
149.04507	1.8
150.65575	0.5
153.09172	4.4
154.13768	0.4
161.04507	7.6
173.04546	1.7
179.05573	13.2
179.10869	0.8
185.00874	1.1
187.11311	1.1
201.49083	0.5
205.12328	6.2
206.12704	0.6
223.13475	1.5
241.14397	0.6
283.11926	0.8
322.13910	0.4
385.18790	25.7
386.19196	4.9
403.19739	2.2
445.21164	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	445.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
57.03336	3.2
58.00474	0.6
58.80017	0.4
59.01266	100.0
60.01602	1.3
61.23076	0.4
69.03352	1.0
71.01271	21.7
71.57162	0.8
72.01616	0.5
72.99223	1.5
73.02838	12.7
76.92155	0.4
83.01283	4.1
85.02843	5.0
87.00821	1.0
89.02342	8.8
95.01313	1.6
97.02876	0.7
97.06528	0.5
99.00801	1.0
99.04447	1.4
101.02347	16.0
102.02655	0.6
109.06472	0.4
113.02361	10.8
119.03407	3.0
123.00770	0.5
123.08065	3.1
124.01589	1.4
125.02402	1.5
131.03461	0.7
139.03986	1.1
143.03426	2.2
149.04526	1.2
150.03172	0.9
153.09125	0.7
161.04498	5.1
162.23129	0.5
165.05588	1.4
168.03244	0.4
175.11293	1.2
175.13052	0.4
179.05626	1.2
179.10815	0.5
187.11124	0.6
191.07156	0.6
193.12396	0.7
205.12350	3.0
211.13428	0.8
212.85349	0.6
223.13380	7.0
224.13786	0.5
241.14455	4.7
283.15720	0.5
385.18738	3.5
386.19241	0.6
403.19815	2.2
445.21136	1.0
446.20978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.1
57.03328	1.2
57.10184	0.4
58.00482	1.0
58.13154	0.4
59.01264	100.0
60.01610	1.2
61.05795	0.4
69.60920	2.9
71.01268	29.2
72.01600	0.8
72.99207	1.0
73.02831	5.5
75.00780	0.4
83.01289	1.7
85.02843	8.7
87.00784	1.0
89.02335	14.8
95.01278	2.4
95.04934	0.6
97.02843	2.5
99.00790	2.3
101.02348	15.2
102.02702	0.5
108.05741	1.0
109.06566	0.4
113.02357	10.4
113.06014	1.0
119.03420	5.4
119.84155	0.3
122.03692	0.5
123.07272	0.3
123.08097	1.6
125.02396	0.6
125.06022	1.5
131.03395	0.6
136.05153	0.9
138.06793	5.6
139.07581	3.9
143.03484	1.6
149.06033	0.6
151.07581	8.8
151.08743	0.5
152.04788	1.0
152.08377	14.6
153.09149	44.3
154.09491	2.7
159.02954	2.9
161.04500	15.6
161.09767	0.5
162.04901	0.7
163.11302	0.8
164.03406	0.3
165.09215	0.8
179.05560	3.1
184.54124	0.3
190.10034	0.5
205.03508	0.5
205.12318	16.9
206.12764	1.5
209.11830	0.5
223.13399	17.7
224.13782	1.4
315.12897	0.4
385.18765	35.6
386.19183	5.0
445.21149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1878
Annotation	Kadlongirin B
Peak:m/z	Relative Intensity
55.11038	0.7
59.01266	100.0
60.01595	0.9
61.98708	2.8
69.03345	1.2
71.01276	4.1
71.58137	1.4
73.57143	0.8
85.02828	1.0
89.02338	1.6
93.03333	0.9
95.01268	1.0
101.02296	1.3
109.02863	1.0
113.02313	1.1
115.00314	1.4
121.02888	4.4
123.00820	0.9
123.04428	1.8
124.01553	0.8
134.03662	1.2
135.04416	1.2
137.02448	1.0
146.03629	0.8
147.04445	2.7
149.02367	2.7
150.03183	2.0
151.03946	2.2
153.09129	1.8
160.05246	3.9
161.02428	1.9
161.04593	1.0
161.06036	2.6
163.03949	1.2
164.04701	3.6
165.05542	2.1
171.04501	1.1
173.04565	1.1
173.05989	7.4
174.03192	4.3
174.06537	0.9
175.03978	13.0
175.07605	5.6
176.04697	2.3
177.01843	4.0
178.02686	2.3
179.03502	1.3
179.05629	1.2
179.07083	6.4
189.05562	7.9
190.06297	7.8
191.03407	2.9
191.07031	1.2
192.02705	0.8
192.04233	4.4
193.05008	2.8
201.05566	41.4
202.05928	2.4
205.08676	7.9
205.12267	1.1
206.05804	3.6
207.06561	4.9
209.11816	8.7
215.07167	2.6
216.07918	40.8
217.05061	26.8
217.08163	4.3
218.05617	3.9
219.06540	1.4
221.08182	8.4
223.13445	0.9
231.06577	3.3
231.10286	75.6
232.07378	4.8
232.10655	6.7
233.08089	4.5
234.08818	0.9
241.18216	0.7
247.09766	16.9
248.10172	0.9
249.11324	1.3
253.09192	1.2
265.58963	0.9
277.09119	1.0
285.46063	0.8
326.11871	0.9
337.10870	2.2
341.14191	1.0
352.13174	3.6
357.09988	0.9
364.77740	0.8
367.15607	13.8
368.15817	1.5
385.16476	4.9
397.12924	3.6
398.13074	1.2
408.31671	0.9
412.15265	5.1
427.17706	12.5
428.18256	1.1
430.16544	4.4
445.18784	55.6
446.19302	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	445.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.5
59.01265	47.5
61.98701	1.0
63.13226	0.7
67.13638	0.6
69.03341	2.4
70.53548	2.4
70.53912	0.7
71.01271	10.8
72.99203	4.1
73.02835	3.4
75.00766	66.7
76.72659	0.7
78.95793	2.1
83.01279	2.6
85.02828	3.4
87.00779	3.6
88.98708	2.0
89.02343	11.0
93.03374	1.5
96.95868	0.8
96.96894	1.1
97.02862	1.7
99.00784	1.6
99.04422	0.9
101.02354	8.6
103.00277	100.0
103.03909	1.3
104.00651	1.6
104.03441	8.1
109.02870	1.5
111.00793	2.0
113.02346	5.1
119.03413	3.4
123.04430	1.2
123.08086	1.1
125.02345	0.8
128.03392	0.9
131.03447	0.9
133.01363	3.1
135.04439	1.8
138.05504	1.9
149.04498	2.1
161.04529	2.4
166.99835	0.7
167.03548	0.8
170.14728	0.8
173.04533	1.6
175.11292	0.7
179.03360	0.9
179.05580	3.0
185.00853	1.3
191.05609	2.2
223.13425	1.9
226.05225	0.8
241.14471	1.6
265.09326	4.5
309.11841	0.9
341.10986	9.4
342.11191	1.2
403.20123	0.8
409.05392	1.0
441.06125	0.7
445.13129	2.5
445.19193	0.9
446.11429	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	444.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	8.7
58.03665	0.2
59.01263	5.8
60.01610	0.2
61.98693	0.1
68.99700	0.1
69.03341	0.3
70.20720	0.1
71.01263	1.3
72.99194	0.1
73.02836	0.5
81.03348	0.4
83.01254	0.2
85.02822	0.4
87.00764	0.3
89.02348	0.7
93.03362	0.2
97.02820	0.2
99.04418	9.9
100.04762	0.3
101.02348	2.8
102.02686	0.1
108.02076	7.1
109.02390	0.2
113.02366	0.4
119.03397	0.3
121.02891	0.8
122.02401	0.5
125.02364	9.6
126.02708	0.3
135.04442	0.1
138.01898	100.0
139.02243	3.5
140.27823	0.1
143.03407	0.4
151.02690	1.5
152.03493	0.2
160.03954	0.3
161.04482	0.3
173.04552	0.2
180.02989	1.6
185.00929	0.2
191.05762	0.2
203.05544	0.2
209.11847	0.4
222.12148	0.1
223.13144	0.1
241.14445	0.1
269.04727	0.2
300.07095	0.1
305.08942	0.8
385.18704	0.1
400.12671	0.5
444.11639	0.8
444.19727	0.2
445.20880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23971	0.2
59.01265	100.0
60.01600	1.0
61.98727	0.9
62.09385	0.2
65.09644	0.3
71.01276	0.3
71.58546	0.2
78.95791	0.3
89.02349	0.5
91.03907	2.0
96.95906	1.1
109.06532	0.5
111.01917	0.3
111.08083	1.0
121.02905	0.5
137.09676	0.2
163.11346	0.3
165.12715	0.2
171.10248	0.4
182.01503	0.2
197.11790	2.5
197.13280	0.2
207.10275	1.0
211.13475	0.5
291.19760	4.0
292.20099	0.6
309.20795	7.9
310.21002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75983	0.6
52.82378	0.5
59.01265	100.0
60.01606	1.0
61.98726	1.8
71.01263	0.9
71.58884	0.6
78.95806	1.3
89.02337	1.0
91.03905	5.9
96.95921	1.3
96.96857	1.0
105.64314	0.6
111.08092	2.0
121.02848	0.6
129.12401	0.5
146.40735	0.5
151.06387	1.1
152.07101	0.6
197.11789	8.0
207.10353	1.0
211.13441	1.3
211.64505	0.6
242.30841	0.6
263.20410	0.9
288.99231	0.5
291.19724	6.7
292.20044	2.4
309.20789	15.9
309.24310	0.9
310.21237	1.4
323.10019	0.7
383.13290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01597	0.8
61.98723	0.3
71.01254	0.3
71.58956	0.3
71.59305	0.3
73.56234	0.2
78.95807	0.7
81.03324	0.2
88.48512	0.2
89.02360	0.6
91.03922	1.1
101.02361	0.3
109.06537	1.0
111.01899	0.3
111.08092	0.7
120.48321	0.2
147.86621	0.2
186.87663	0.2
197.11798	2.5
207.10185	1.2
211.13374	0.3
291.19717	3.5
292.20193	0.4
299.92975	0.3
309.20792	7.1
309.24252	0.4
310.21204	0.8
310.74124	0.2
444.24609	0.3
469.41290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85283	0.6
55.01766	0.7
57.03337	38.3
58.00478	1.6
59.01264	100.0
60.01608	1.1
61.98725	1.4
66.89501	0.5
69.03345	2.4
69.85700	1.4
69.86113	2.0
71.01266	37.1
72.01586	0.6
72.99212	1.7
73.02834	37.4
81.03350	0.7
83.01276	9.4
85.02843	8.1
85.03294	0.7
87.00799	1.6
89.02341	13.6
95.01327	2.4
97.02884	0.8
99.00816	1.9
99.04418	23.4
101.02345	39.4
102.02713	0.9
107.05014	0.7
108.14041	0.6
113.02357	17.7
113.75580	0.6
119.03458	4.8
119.04926	8.2
120.04554	0.9
121.06516	0.6
123.04472	1.9
123.08125	0.9
125.02365	12.0
129.07014	3.9
131.03482	2.7
135.04536	0.8
137.02426	0.8
137.06093	0.7
139.07626	1.8
143.03444	3.1
145.02919	1.1
147.08170	1.5
149.04565	2.4
151.07646	1.5
155.03505	1.1
157.31343	0.6
159.11737	15.9
159.12941	0.9
160.12105	0.7
161.04498	10.4
161.05818	0.6
161.09740	1.4
163.04019	0.6
163.11304	1.2
165.09232	0.9
173.04561	0.7
175.11255	4.8
177.09187	1.5
177.12823	6.0
179.05710	1.9
179.10814	0.7
191.10872	2.6
194.57855	0.6
203.05702	0.9
203.10922	2.1
209.11963	2.2
219.64284	0.5
221.11818	30.9
222.12379	2.3
239.12878	10.4
240.13330	0.8
250.84892	0.6
275.98865	0.6
281.10370	11.0
282.10941	1.1
299.11420	9.4
316.98349	0.7
323.10046	1.4
341.12561	5.4
346.35468	0.7
379.99139	0.6
381.16190	2.4
383.17197	7.6
401.18298	5.7
411.17081	1.5
443.19983	22.1
444.20203	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	443.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
57.03331	1.7
58.00482	0.6
59.01265	100.0
60.01605	0.7
61.98735	0.3
69.03343	0.9
70.43590	1.3
71.01269	15.0
72.57355	0.3
72.99187	0.8
73.02834	3.2
79.62714	0.4
83.01284	1.6
85.02843	3.8
87.00776	1.2
89.02338	14.4
93.03401	0.4
94.74235	0.3
95.01314	1.1
97.02846	0.8
99.00810	1.1
99.04474	0.3
101.02343	12.3
101.03011	0.6
112.28737	0.4
113.02351	7.8
114.02705	0.3
119.03425	8.4
125.02386	0.4
131.03508	0.6
135.04469	0.4
138.01921	0.9
143.03441	1.2
149.04355	1.4
159.02962	0.8
159.11728	0.5
161.04482	3.2
165.09187	1.0
173.04604	0.5
179.05609	2.0
185.00883	0.5
193.03304	1.0
203.10750	0.4
221.11899	1.3
268.95245	0.4
335.54578	0.4
339.18250	1.8
383.10199	0.5
383.17181	2.9
384.17651	0.4
443.19510	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03344	2.1
58.00459	0.7
59.01262	100.0
60.01604	0.8
62.14743	0.4
69.03341	2.2
69.42293	1.4
69.42721	2.4
71.01267	40.6
72.01614	0.7
72.02062	0.4
72.99197	1.4
73.02833	67.8
74.03172	1.4
75.00746	0.8
81.03318	0.7
83.01275	17.6
85.02847	4.3
87.00768	1.5
87.04449	0.5
89.02334	7.2
95.01286	0.9
97.02876	0.9
99.00783	1.3
99.04401	0.7
101.02341	46.3
101.05992	1.0
102.02663	0.8
109.06506	0.5
113.02347	10.3
114.02712	0.5
119.03439	2.5
121.06518	0.6
123.08094	1.0
125.02396	2.3
131.03424	2.1
136.05234	0.9
137.05989	1.0
137.09602	1.1
139.07623	1.0
142.07796	0.7
143.03426	3.6
143.08586	0.8
144.05708	0.5
147.08084	5.8
148.08421	0.7
149.04498	2.5
149.09676	3.5
151.07567	3.7
155.03430	1.7
157.10182	1.7
159.08141	0.6
159.11739	0.7
161.04497	8.2
161.09650	2.3
163.07570	0.9
165.09166	10.4
166.09535	0.5
167.10703	2.7
170.07324	5.9
173.04593	0.5
175.11302	1.0
177.09164	0.7
177.12843	0.6
179.10703	3.4
185.09721	1.7
187.07561	0.8
188.08379	2.0
191.10672	1.0
193.12317	1.0
203.05571	1.3
203.10747	17.0
204.11208	1.2
205.08739	2.0
206.09370	0.6
209.11816	2.3
211.13361	0.9
221.11824	46.4
222.12183	3.4
227.78108	0.5
239.12849	5.3
245.11723	0.5
383.17322	1.7
401.18008	1.0
443.19312	28.8
444.19614	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	443.193
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.94667	0.2
55.01773	1.4
57.03337	3.4
58.00483	0.9
59.01266	59.2
60.01609	0.9
69.03347	2.8
69.48869	0.5
69.49280	1.2
71.01270	23.4
72.01633	0.3
72.99194	1.5
73.02836	14.1
75.00774	0.8
81.03349	0.4
83.01274	5.0
85.02843	9.1
85.99987	0.2
86.03172	0.2
87.00787	1.1
87.45563	0.2
89.02341	7.3
89.02901	0.3
93.03380	0.3
95.01283	2.0
97.02867	0.9
99.00781	2.6
99.04429	0.5
101.02345	20.1
102.02683	0.4
108.02106	0.3
113.02354	11.3
113.23278	0.2
114.02670	0.3
119.03414	2.7
121.06506	0.2
123.08083	2.5
125.02377	0.7
127.03914	0.3
131.03421	1.0
135.04456	0.2
138.01930	1.6
143.03470	1.5
147.04480	0.3
149.04507	0.8
151.11234	0.2
159.02919	0.6
161.04510	3.4
161.05833	0.4
161.09686	0.3
162.04871	0.2
165.09174	0.5
173.04524	0.4
177.12794	4.0
178.13104	0.3
178.76392	0.2
185.00871	1.7
189.36879	0.2
191.05675	0.2
195.13872	2.1
196.14178	0.2
203.10771	0.4
221.11826	3.1
222.12154	0.3
239.12892	0.6
271.02576	0.5
281.14017	0.5
299.02103	0.3
300.02856	0.8
352.68625	0.2
357.19312	1.4
383.16965	1.2
401.18274	1.7
402.18539	0.5
443.19315	100.0
444.19656	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	441.2504
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01266	100.0
60.01597	1.1
71.59024	0.2
73.44207	0.2
78.95813	0.5
93.74365	0.2
97.06532	0.4
111.01933	0.5
147.08328	0.2
158.92484	0.3
190.73239	0.2
191.14336	0.2
209.11913	0.8
217.00287	0.3
225.04117	0.2
245.19209	0.6
263.20328	0.4
289.18143	2.8
290.18536	0.5
302.50647	0.2
307.19205	3.6
381.22614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.172
Annotation	Justin A
Peak:m/z	Relative Intensity
59.01267	61.9
61.98727	5.1
69.26139	2.5
69.26553	9.3
70.61929	1.1
71.01256	1.5
78.95813	6.8
93.03352	9.4
96.95940	2.0
98.20575	2.2
101.02368	1.0
109.02882	5.2
109.06477	1.2
111.01909	6.3
119.01266	1.3
121.02853	10.3
134.03682	1.8
135.04448	3.4
137.02383	2.6
147.04514	1.6
149.02327	4.3
149.06039	1.0
150.03162	1.2
151.06290	2.0
152.01100	1.6
152.07127	8.5
158.92432	2.5
161.06027	11.7
162.06760	5.0
163.03949	5.0
165.01912	1.5
173.02417	1.9
175.00319	3.9
175.03941	1.9
175.07619	2.9
176.01088	3.0
177.01930	9.7
177.09157	4.1
188.04700	2.3
189.05580	7.8
190.02707	15.6
191.03467	15.9
192.04037	1.5
199.03958	1.2
203.07158	2.5
205.05025	14.3
206.05630	1.6
217.05061	41.2
218.05344	4.1
221.08139	2.0
231.06566	5.9
232.07422	41.5
232.09760	2.4
232.96548	2.0
233.07808	3.8
247.09795	45.8
248.10167	4.9
353.10522	6.5
365.12149	2.1
368.12750	10.1
369.13037	1.6
383.15179	36.2
384.15601	6.0
413.12549	2.5
428.14813	6.6
443.17215	100.0
444.17526	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62615	0.4
50.68786	0.5
50.92057	0.4
53.73631	0.5
59.01265	100.0
60.01604	0.5
61.98723	1.3
67.05094	0.4
68.94996	0.4
71.37821	0.8
71.38165	0.6
78.95799	2.1
96.95925	0.8
99.00764	0.5
111.01917	3.0
148.06122	0.4
158.92516	1.3
204.29298	0.4
209.11842	0.6
210.99179	0.4
217.00491	0.5
231.96713	0.6
245.19258	0.9
245.24425	0.5
282.03983	0.4
289.18155	4.1
290.18781	0.5
291.19955	0.9
295.22861	0.8
307.19232	3.7
441.59555	0.6
451.20847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09576	0.4
55.01767	0.5
57.03336	1.4
59.01266	30.1
60.01592	0.5
61.98711	1.1
64.62564	0.4
69.03342	3.0
70.14248	0.4
70.72563	0.9
70.72883	0.4
71.01266	9.1
72.99210	1.0
73.02834	6.7
78.95803	1.1
83.01282	3.1
85.02851	2.5
87.00772	0.6
89.02357	1.8
89.03878	0.6
93.03364	1.4
95.01302	0.4
96.95914	3.5
96.96880	0.9
97.02846	1.1
98.02409	0.5
99.00792	1.8
101.02354	9.4
105.03381	1.9
111.00744	0.7
113.02370	3.6
117.03365	1.0
119.03465	0.5
121.02946	0.5
123.00800	0.4
123.04401	0.8
125.02416	0.7
132.02100	21.4
133.02895	14.9
134.03670	20.4
135.04398	0.9
136.01573	0.7
137.02354	2.1
139.03966	0.8
143.03531	0.8
147.04489	1.0
149.04591	0.8
149.06017	6.4
158.03673	8.3
159.03999	0.5
160.01608	97.2
161.01953	4.6
161.04471	2.0
173.04517	2.6
173.06035	8.5
174.03252	0.5
174.06334	0.5
175.03964	100.0
176.04323	5.6
177.01918	2.7
177.05547	0.8
178.02643	1.0
179.03473	1.4
185.00833	1.3
191.05486	0.6
191.07076	1.0
193.05042	19.6
194.05350	1.2
201.01938	4.6
202.02687	9.7
217.05060	25.4
217.12306	1.0
218.05424	1.5
221.10269	3.1
233.09789	0.6
235.06116	1.4
235.13327	0.6
289.09427	0.6
364.11691	1.9
379.14017	6.4
380.14468	0.8
397.15131	3.2
398.15869	0.5
424.13959	3.0
439.16153	83.9
440.16476	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	441.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93436	0.2
51.86244	0.2
59.01264	100.0
60.01600	1.4
61.98723	0.4
70.37790	0.4
70.38142	0.7
75.11259	0.2
78.95802	0.6
91.14158	0.2
91.73160	0.2
96.95930	0.3
98.19791	0.3
111.01930	0.9
122.29032	0.2
131.38290	0.3
131.74718	0.2
158.92526	0.2
177.03062	0.3
183.94823	0.2
209.11786	0.5
289.18164	2.9
290.18704	0.6
296.34171	0.2
307.19199	2.7
416.27139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19351	0.2
55.01759	0.2
57.03328	0.8
59.01266	100.0
59.90397	0.2
60.01601	1.3
61.98710	1.3
69.03341	0.4
71.01271	23.0
71.15771	0.2
71.16090	0.4
72.01624	0.5
73.02831	1.8
75.00764	0.5
78.95815	0.3
83.01295	0.7
85.02846	2.0
86.00004	0.4
87.00787	1.2
87.04428	0.2
89.02356	1.1
93.03376	0.3
96.95913	1.3
97.02858	0.4
99.00793	0.9
99.04435	0.9
101.02351	2.9
103.66061	0.2
106.73901	0.2
111.00813	0.4
113.02353	2.6
115.07587	0.5
119.03432	0.3
125.02423	0.6
143.03477	0.4
143.07095	0.6
153.44310	0.2
159.03047	0.3
161.04494	2.0
161.08130	5.3
162.08533	0.2
162.09877	0.2
163.63429	0.2
173.04584	0.6
177.01930	2.5
185.00905	0.5
187.09821	0.9
191.05748	0.4
203.05487	0.2
215.09232	4.4
215.11118	0.3
216.09673	0.2
259.11908	1.6
277.12970	3.0
287.11359	1.0
295.55991	0.2
305.12469	3.1
306.12973	0.3
319.14093	4.2
319.17639	0.4
320.14487	0.4
347.13562	2.9
348.13693	0.3
407.34521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01606	1.4
61.98723	1.7
68.66478	0.4
69.03352	1.4
70.91633	1.1
71.01275	2.6
71.02377	0.5
73.02839	0.7
78.95820	0.7
81.93954	0.5
83.01287	0.4
85.02862	1.3
89.02332	0.7
97.02864	0.6
101.02374	1.5
113.02375	1.3
127.05064	0.6
133.02873	0.5
135.04572	0.4
141.01848	0.5
145.02852	0.8
145.06171	1.9
152.99478	0.5
160.01619	0.8
161.04504	1.1
173.04605	0.9
191.05630	0.4
201.11324	1.2
272.10519	0.5
275.09769	0.6
335.20862	4.3
340.08139	0.5
377.21924	1.2
379.12152	0.4
437.18506	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	438.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57467	0.1
59.01249	0.2
62.96283	0.3
64.42068	0.2
69.34592	1.4
71.01267	0.3
76.19655	0.1
78.95794	17.1
83.83310	0.1
96.95895	0.1
104.73365	0.1
104.97368	0.2
121.72795	0.1
122.00039	0.8
122.98416	0.2
134.98438	0.2
140.01117	5.0
152.99507	1.4
163.07608	0.1
166.02690	0.2
196.03769	9.5
197.04074	0.3
214.04832	1.9
223.20708	0.2
241.21738	100.0
242.22086	9.4
296.55023	0.2
377.21167	0.2
438.26343	30.0
439.26636	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	439.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11687	0.1
62.96283	0.1
64.85017	0.1
71.01297	0.1
71.05474	0.2
71.34890	0.1
78.95795	38.8
91.58502	0.1
93.49381	0.1
96.95983	3.3
96.96863	100.0
192.39603	0.1
202.34721	0.1
277.03366	0.1
291.25751	0.1
341.11005	0.3
439.08679	3.3
440.08752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02288	0.4
55.01769	3.5
57.03345	0.5
59.01267	1.8
61.98717	0.7
67.01781	0.6
69.03343	100.0
70.03677	2.0
71.01275	1.1
72.99186	1.9
79.01772	1.5
85.02843	1.3
87.99245	0.3
95.01294	1.8
97.02851	19.2
98.03207	0.6
98.20681	0.6
99.00782	25.1
99.04435	0.6
100.01118	0.6
113.02356	0.7
123.00806	1.1
128.03476	1.1
138.16664	0.3
141.01857	6.3
141.03600	0.4
185.00888	63.7
186.01228	2.6
201.11217	0.3
230.11911	0.4
251.16542	1.8
410.23871	0.4
437.18277	10.6
438.18900	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	437.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84157	0.6
56.13571	0.7
57.03333	4.3
59.01263	8.3
59.98401	0.7
61.98711	1.2
67.01758	0.8
69.03343	38.7
70.03679	0.7
71.01270	8.2
71.04913	1.9
72.01595	0.6
72.99196	0.9
79.01784	3.9
81.78812	0.6
83.01274	0.9
83.88409	0.7
85.02828	1.6
85.06491	1.3
93.03315	0.8
95.01278	8.6
96.95911	1.4
97.02850	58.7
98.03212	1.3
99.00782	4.5
99.04411	9.0
101.02369	1.0
111.00831	0.9
113.02325	0.8
123.00782	3.6
135.04320	0.7
140.51462	0.7
141.01866	100.0
142.02173	3.2
173.04541	1.1
179.14244	0.7
181.12320	1.0
184.99236	1.1
185.00890	19.5
185.02496	1.3
186.01216	1.2
201.11307	1.5
202.09668	0.7
219.81793	0.7
244.62596	0.7
244.88254	0.7
251.16574	53.6
252.16978	4.2
437.13037	1.7
437.18256	29.6
438.18350	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	435.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
57.03345	2.0
58.00483	0.3
59.01267	11.3
61.98713	0.4
67.01766	0.5
68.99687	0.6
69.03338	0.9
70.78255	0.7
71.01270	11.5
72.99194	3.4
73.02834	0.8
75.00764	16.0
78.02920	0.2
83.01286	0.6
84.02133	0.3
85.02843	14.4
87.00771	6.3
89.02337	2.4
95.01283	3.9
95.71650	0.2
99.00781	8.2
100.01147	0.3
101.05985	100.0
102.06313	2.8
103.00294	1.5
106.61853	0.2
111.00768	0.7
111.05583	0.2
111.08035	0.2
113.02356	18.6
114.02680	0.3
115.00308	1.7
117.01866	2.8
127.24979	0.3
129.01917	1.3
131.03467	0.3
139.00328	0.4
157.01378	0.7
167.06725	0.3
173.04510	0.2
175.02457	2.8
185.00975	0.3
193.03534	1.1
207.53030	0.2
231.05070	0.7
249.06192	1.6
288.53189	0.2
289.12964	0.4
315.10913	0.3
333.12042	3.2
334.12360	0.5
351.13068	2.7
352.13263	0.4
375.16699	0.5
417.17657	1.0
435.18802	56.7
436.19125	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	435.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03332	2.0
58.00471	0.6
59.01267	12.6
67.01778	0.9
68.99699	0.5
69.03336	1.3
71.00903	0.6
71.01277	11.3
71.35236	1.0
72.99202	3.9
73.02845	1.1
75.00761	14.3
83.01294	0.8
85.02843	14.8
86.03127	0.5
87.00776	5.4
89.02345	2.5
90.87856	0.4
94.61573	0.4
95.01280	4.6
97.57782	0.4
99.00771	9.7
101.05987	100.0
102.06330	1.9
103.00275	2.0
113.02358	21.6
114.02717	0.7
115.00282	1.6
117.01849	3.7
126.17960	0.4
129.01849	1.7
157.01410	0.6
173.57985	0.5
175.02452	2.8
193.03523	1.6
212.07782	0.5
231.05186	0.5
249.06148	2.9
333.11865	3.3
351.09113	0.7
351.13031	7.0
417.17755	1.7
435.18802	73.2
436.19122	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	435.0942
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
53.78439	0.4
55.32041	0.4
57.03330	1.8
59.01268	7.4
66.80485	0.4
68.99706	0.8
69.03342	1.0
69.21543	0.9
69.21945	4.1
71.01268	6.3
73.02836	1.8
75.39354	0.5
81.03345	1.4
83.01273	0.7
85.02840	4.6
86.03203	0.4
87.00748	0.6
89.02348	0.8
92.76817	0.5
93.03359	15.4
94.03717	0.4
95.01276	2.7
96.99212	0.7
97.02857	0.8
99.00793	1.0
99.04425	1.6
101.02348	5.5
108.02078	57.9
109.02882	32.3
110.03217	1.1
113.02359	2.4
113.68312	0.4
116.92759	1.4
121.02855	1.7
123.00817	2.4
123.04512	0.8
135.00871	0.5
135.04517	0.6
136.01613	1.3
137.02376	25.4
138.02711	0.8
151.03986	0.9
152.01094	72.3
153.01889	22.5
154.02164	0.7
161.04482	1.1
163.03864	1.0
165.01910	0.6
173.04497	1.2
179.03462	0.7
191.03435	0.5
191.05574	1.0
199.09694	1.1
221.04530	0.6
240.73528	0.4
281.06744	7.3
291.14600	0.7
315.07306	9.8
316.07437	0.5
391.10495	1.2
392.10825	0.5
435.09409	100.0
436.09744	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	435.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	67.8
57.83271	0.8
58.00471	1.4
59.01265	100.0
60.01584	1.1
61.98702	1.2
69.57998	4.7
71.01270	26.0
72.99191	1.9
73.02836	6.4
74.16180	0.7
75.00755	2.3
81.03368	1.8
83.01281	3.7
85.02850	5.5
87.00778	1.9
89.02340	12.9
93.03353	2.3
95.01287	1.5
96.95962	0.9
97.33390	0.9
99.00782	1.7
99.04420	80.2
100.04765	2.0
101.02348	24.9
101.27540	0.8
113.02364	9.0
119.03391	4.1
121.13167	0.8
123.04429	2.1
125.02367	27.4
131.03392	1.7
135.04471	1.0
143.03413	3.1
147.06560	1.5
149.04417	1.0
155.03358	1.0
161.04498	8.1
173.04549	5.4
173.05820	0.8
179.05634	2.0
191.05547	2.9
199.35448	0.8
203.05534	1.4
212.08360	1.8
217.08817	1.3
250.06253	0.8
255.08888	12.5
291.10962	6.9
333.12061	6.8
333.38052	0.8
373.15002	2.2
391.16196	0.8
435.14371	5.3
435.19946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39737	3.6
51.58302	3.0
57.03333	20.2
59.01266	100.0
61.98716	4.4
71.01279	37.7
71.04922	10.3
71.55865	3.4
72.99210	8.5
73.02826	7.3
75.00754	7.7
80.05023	3.5
83.01280	3.6
83.04899	4.2
84.70175	3.6
85.02843	14.3
87.00783	9.6
87.04427	5.0
89.02339	22.3
93.03366	6.5
98.02396	7.2
99.00759	4.2
99.04419	14.2
101.02351	26.4
113.02332	17.2
119.03414	5.7
125.02359	5.8
127.03935	9.7
129.01874	7.9
147.85025	3.8
161.04506	15.1
163.11316	4.1
173.04430	16.8
185.00824	4.9
191.05571	17.3
207.13913	3.8
212.34157	3.5
228.05038	5.1
284.99500	3.4
387.20386	13.2
433.15915	5.9
433.21210	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	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49979	0.3
52.56553	0.3
57.03315	0.3
58.61593	0.3
59.01264	100.0
60.01608	1.1
61.98717	1.0
62.40847	0.3
62.43857	0.4
69.03343	4.2
69.32038	3.1
69.81493	0.3
71.01273	4.8
72.99219	0.4
73.02838	1.5
83.01301	0.8
85.02853	2.0
87.00762	0.5
89.02321	1.9
93.03349	0.5
95.01288	0.4
97.02869	1.5
98.19868	0.7
99.00777	1.8
101.02349	3.8
113.02374	2.1
119.03442	0.8
125.02345	0.3
131.03413	0.5
133.21309	0.3
135.04498	0.4
141.01898	0.4
159.02910	0.5
161.04520	2.1
166.02675	0.4
173.04475	0.5
179.03450	0.3
179.05499	0.4
185.00882	2.9
194.06047	0.3
197.11777	0.4
203.05583	0.7
221.06775	1.7
221.26703	0.3
229.91458	0.3
263.07898	0.4
313.16748	1.3
331.17624	4.0
331.20758	0.3
332.18228	0.5
359.38098	0.3
373.18832	1.2
432.68085	0.4
433.15466	0.6
433.24268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77286	0.3
55.01764	0.4
57.03314	0.4
57.54237	0.3
59.01266	100.0
60.01606	1.1
61.98721	0.4
64.92652	0.3
68.84480	0.3
69.03345	3.0
69.26748	1.8
69.27174	1.9
71.01272	4.9
72.31406	0.3
72.99192	0.6
73.02839	1.9
73.05167	0.3
75.00760	0.4
79.95606	0.4
83.01321	0.3
85.02851	1.6
87.00811	0.5
89.02328	2.1
89.60165	0.3
95.01315	0.3
96.95946	0.4
97.02843	0.5
99.00793	1.4
101.02335	3.5
113.02346	1.9
117.02191	0.3
119.03439	1.0
131.03445	1.0
134.03664	1.7
143.03461	0.4
149.04797	0.4
149.05975	1.6
159.04424	0.3
161.04529	2.0
173.04561	0.5
179.03508	0.3
179.05605	0.7
184.92752	0.3
185.00954	1.4
191.05620	0.4
194.05905	0.4
194.17558	0.3
197.11894	0.7
203.05719	0.6
221.06723	0.6
226.05704	0.3
235.13377	0.4
263.07806	0.4
265.14352	0.4
271.11005	0.4
313.16748	0.6
331.17651	4.0
373.19055	1.0
433.24634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
57.03339	0.7
58.00481	1.1
59.01266	29.6
60.01600	0.4
69.03349	0.3
71.01271	14.6
72.99197	1.5
73.02835	1.2
75.00745	0.2
77.24487	0.2
78.95798	1.4
81.55506	0.2
83.01282	1.2
85.02847	3.4
87.00777	1.3
89.02341	11.3
95.01299	1.2
98.20600	0.4
99.00764	0.5
101.02348	9.8
113.02358	5.2
119.03426	3.7
125.79536	0.2
136.90567	0.2
143.03445	0.5
152.99568	1.3
153.99841	0.5
155.00015	0.5
164.49086	0.3
179.05571	0.5
219.71381	0.2
223.20619	1.4
225.22244	24.3
226.22569	2.4
239.23891	0.5
253.21750	3.4
254.22162	0.3
255.23282	1.1
267.23416	1.0
271.22836	34.8
272.23196	3.2
313.24008	0.7
433.28146	100.0
434.28458	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	433.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
59.01264	100.0
60.01600	1.3
61.98714	1.5
67.65263	0.3
68.99700	0.5
69.03338	0.7
69.42486	0.7
69.42891	2.5
71.01267	7.9
72.99224	0.6
73.02847	1.5
83.01290	1.1
85.02835	2.8
87.00787	0.8
87.04412	0.4
89.02333	3.7
93.03360	0.7
95.01273	0.9
97.02882	0.6
97.06534	0.5
98.04723	0.3
99.00776	2.0
101.02348	4.7
109.06561	0.4
113.02368	3.2
116.97738	0.3
119.03402	1.9
131.03474	0.7
135.04472	0.4
143.03447	0.4
159.02931	0.5
161.04526	1.9
169.12207	0.4
173.04576	2.0
179.03470	0.4
179.05687	0.5
191.05612	0.8
197.11810	9.1
198.12204	0.6
211.09819	0.3
221.06633	0.4
229.14528	0.3
229.18147	0.4
253.09425	1.1
271.19180	0.4
277.13174	0.4
287.24738	0.4
313.16876	0.8
331.17807	1.8
373.18463	0.7
373.22540	0.8
391.23572	0.7
433.24634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59339	0.4
59.01263	100.0
60.01604	1.2
70.49891	1.2
70.50254	0.4
71.01266	4.1
73.02841	1.0
83.01289	0.6
85.02860	1.3
85.69491	0.3
89.02341	3.2
93.03363	0.8
99.00768	0.5
99.09326	0.3
101.02348	3.0
105.05959	0.4
113.02345	2.3
119.03440	1.2
149.06010	0.4
161.04526	1.2
173.04588	1.3
179.05623	1.2
191.05630	0.6
213.24196	0.4
254.03236	0.4
259.10007	0.6
271.02628	0.4
271.19266	0.6
300.03049	0.6
301.03552	0.6
331.17841	1.2
372.84445	0.4
373.18909	1.0
410.49429	0.5
433.24646	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	433.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01600	1.2
61.01686	0.1
61.98711	1.0
64.12968	0.1
69.03345	0.2
70.97759	0.4
71.01269	0.9
73.02856	0.2
85.02857	0.2
87.00731	0.2
89.02347	0.5
101.02353	0.6
113.02362	0.3
161.04625	0.2
173.04544	0.3
197.11803	2.8
253.09326	0.4
276.48526	0.1
313.16586	0.3
331.17847	0.6
334.61813	0.1
381.12494	0.1
383.65601	0.1
433.15292	0.2
433.20667	0.2
457.58282	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	433.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17647	0.8
55.01782	1.8
57.03333	8.8
59.01263	33.4
65.91074	0.8
67.01774	1.6
68.99691	1.2
69.03335	1.8
71.01270	26.0
71.01669	1.4
72.99198	8.1
73.02837	2.3
75.00762	28.2
81.03345	4.2
83.01271	1.9
85.02844	30.8
87.00766	10.5
89.02322	7.0
95.01291	7.1
99.00782	17.5
99.04418	65.6
100.04754	1.5
101.02348	3.3
101.05984	77.8
102.06326	1.8
103.00276	3.8
113.02352	36.0
114.02660	1.1
115.00268	2.9
117.01858	5.6
118.59817	0.9
125.02348	1.4
129.01857	3.0
131.03319	1.2
175.02435	4.3
193.03532	4.2
199.07173	0.8
205.07129	2.1
206.34482	0.9
223.53355	0.8
231.05066	1.6
232.62334	1.0
249.06186	6.4
267.07312	2.7
289.16714	1.7
291.10977	1.0
323.99451	0.9
333.12027	4.9
349.11441	7.8
351.13031	44.0
352.13406	3.3
373.14984	1.2
407.08063	0.9
433.17212	100.0
434.17480	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	432.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.7
61.98718	1.3
64.16603	0.5
66.78809	0.6
69.59861	3.1
74.42899	0.5
84.62118	0.6
95.71011	0.6
98.95467	0.6
118.02917	1.1
121.02852	0.6
146.02444	1.0
278.48380	0.5
283.06546	2.9
288.08319	0.7
290.09695	1.5
302.10046	0.9
303.10559	0.8
304.11246	1.4
314.09918	2.6
316.11438	0.9
317.08313	0.6
329.86935	0.6
330.09332	3.2
331.10129	1.7
332.10886	56.1
333.07599	0.7
333.11252	8.2
347.09662	1.1
348.10181	3.2
350.08298	0.9
358.08652	1.3
359.09488	1.1
360.10391	7.7
361.10474	0.8
362.08456	0.7
374.08109	1.0
375.02393	0.5
375.09167	4.7
376.09860	37.2
377.10239	5.7
386.08212	0.9
388.09659	1.3
402.07645	0.8
404.09308	10.4
404.14450	0.8
405.09680	1.5
431.08124	0.8
432.08859	100.0
433.09198	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	433.0787
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
54.36121	0.4
57.03347	0.9
59.01264	100.0
60.01605	1.4
61.01703	0.4
61.98721	1.6
63.02266	0.4
65.00212	0.8
69.03344	0.8
70.85600	1.0
71.01273	4.7
72.99208	0.5
73.02831	1.1
78.95779	0.7
79.06681	0.3
83.01257	0.6
85.02834	2.3
87.00784	0.5
89.02339	2.5
91.00277	0.3
93.03370	1.0
95.01286	0.5
96.95903	2.9
99.00768	0.7
99.04443	0.4
101.02355	3.2
107.01306	1.6
108.02090	1.0
109.02866	0.9
111.04367	0.4
113.02371	2.2
119.03426	0.9
121.02856	1.0
125.02354	0.4
134.03679	1.1
135.00801	0.6
148.01645	1.3
151.00294	5.0
153.01872	0.4
160.05260	0.6
161.04475	1.3
163.00327	1.4
169.01303	0.6
173.04573	1.7
178.99870	2.7
179.03545	0.3
179.05594	0.5
187.03954	0.6
191.05663	0.6
192.00642	0.6
193.05020	0.8
197.41656	0.4
199.04022	0.5
211.04071	0.7
212.31430	0.4
215.03493	0.5
216.04332	0.4
226.02660	1.7
227.03499	2.0
227.07227	0.4
228.03978	0.5
243.03011	9.1
244.03522	0.8
245.04590	0.8
253.04848	0.4
254.02290	2.0
255.03033	21.6
256.03534	1.9
271.02533	47.9
271.19128	0.8
272.02939	4.0
273.03986	0.6
283.02496	0.5
296.42398	0.3
299.02017	1.0
300.02811	81.7
301.03476	21.7
302.03925	1.2
331.17938	0.5
373.18799	1.1
389.17944	0.4
433.07831	52.7
433.24747	2.7
434.08173	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.3
57.03341	0.6
57.84069	0.2
58.97158	0.2
59.01264	100.0
60.01598	1.8
61.98748	0.4
62.39992	0.2
69.03344	0.3
69.59473	1.9
71.01268	5.6
72.99194	0.3
73.02846	1.7
74.95198	0.3
83.01293	0.8
85.02834	1.9
87.00787	0.3
89.02336	3.3
95.01286	0.4
99.00797	0.9
101.02342	3.3
102.83459	0.2
113.02342	2.6
119.03450	0.9
125.02337	0.4
143.03459	0.7
159.02928	0.5
161.04488	3.7
173.04558	0.4
179.05595	1.1
341.19901	0.3
371.20667	1.3
408.12161	0.3
420.87231	0.3
431.23416	0.5
435.59348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.6
58.00480	1.1
59.01267	27.8
63.52628	0.4
69.97350	1.9
71.01274	13.1
72.99197	0.9
73.02835	1.6
78.95797	3.2
83.01264	0.9
84.02071	0.4
85.02845	4.0
87.00768	1.0
88.98723	0.4
89.02340	11.5
95.01275	1.2
95.07017	0.4
96.96868	0.4
98.20502	0.5
99.00735	0.4
101.02345	10.4
110.56667	0.4
113.02342	4.8
119.03439	3.5
152.99524	7.6
161.04501	0.7
202.91089	0.4
209.08067	0.4
223.20700	6.5
224.20924	0.6
249.98062	0.4
251.20261	3.4
265.21866	0.8
267.19687	0.4
269.21277	34.8
270.21606	3.8
311.22537	0.4
376.84824	0.4
431.26608	100.0
432.26968	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	431.3175
Annotation	4-cholesten-7alpha,12alpha,26-triol-3-one
Peak:m/z	Relative Intensity
50.60290	0.5
51.03518	0.4
55.37371	0.4
59.01262	8.6
60.99173	0.8
61.98716	0.9
70.75890	1.0
76.75291	0.5
78.95792	10.6
90.28672	0.4
96.95914	6.7
96.96866	1.3
98.19852	0.6
101.02349	0.9
136.14223	0.5
152.99530	19.8
171.00583	1.1
213.06326	0.6
277.96048	0.6
367.30142	4.7
368.30524	1.3
371.20984	0.6
381.28342	0.6
383.29733	1.0
385.31165	3.0
386.31332	0.8
396.86472	0.6
413.30743	8.6
414.31149	1.7
417.29950	0.7
423.54852	0.5
429.30365	0.7
431.31744	100.0
432.26260	1.0
432.32086	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	431.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.7
58.00481	0.5
59.01266	100.0
60.01604	1.5
69.03351	0.9
70.85614	0.6
70.85939	0.4
71.01270	6.7
72.01631	0.4
72.99171	0.4
73.02833	2.4
78.95795	0.4
80.07498	0.3
80.54062	0.3
83.01293	1.1
85.02842	3.0
87.00827	0.7
88.98718	1.2
89.02347	4.6
93.03335	0.4
95.01297	0.8
97.02862	0.4
99.00796	1.4
100.67713	0.3
101.02356	5.0
113.02363	3.8
118.92125	0.3
119.03422	2.6
131.03439	0.4
143.03424	1.0
159.03003	0.4
161.04509	3.2
173.04515	0.6
179.05606	1.3
184.08507	0.4
185.00934	0.4
227.03601	0.9
255.03018	1.6
284.03427	1.2
363.95914	0.4
371.16699	0.3
371.20847	7.5
372.21320	0.6
389.21960	0.7
396.22141	0.3
431.10126	1.2
431.22821	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	431.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
57.28163	0.2
59.01266	100.0
59.80146	0.2
60.01603	1.3
61.01688	0.3
61.98719	13.1
62.27073	0.2
67.01815	0.2
69.03355	0.5
69.53306	1.0
69.53703	0.5
70.79416	0.2
71.01271	6.2
72.99200	0.3
73.02843	2.0
81.96866	0.2
83.01289	1.2
85.02845	1.9
87.00787	0.5
88.98682	0.5
89.02334	5.3
90.60377	0.2
93.03385	0.4
95.01304	0.4
96.95935	0.2
96.96892	0.2
98.19776	0.3
99.00803	0.8
101.02344	4.4
111.01869	0.2
112.98416	0.2
113.02356	2.9
119.03424	3.1
131.03410	0.4
135.04501	0.2
143.03462	1.0
149.04547	0.4
159.03001	0.3
161.04515	2.5
173.04524	1.5
179.05585	1.5
185.00902	0.5
191.05588	0.4
257.08353	0.4
371.20966	1.0
389.22098	0.4
406.93930	0.3
431.14111	0.3
431.19135	0.7
431.23788	0.5
451.89609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41835	0.3
55.01774	0.8
55.38931	0.3
55.74823	0.4
56.91377	0.3
57.03326	0.9
59.01264	100.0
60.01598	1.3
60.50368	0.4
61.01678	0.5
61.98716	2.5
68.17490	0.3
68.31657	0.3
68.99706	0.4
69.03348	0.7
69.10553	0.3
69.45453	2.9
71.01270	12.9
72.99210	0.7
73.02836	4.3
83.01293	1.8
85.02842	5.5
86.32881	0.4
87.00781	0.7
88.03701	0.3
88.98728	0.9
89.02326	4.5
93.03354	0.5
95.01315	1.3
97.02886	0.4
99.00761	1.8
101.02348	9.3
113.02350	5.6
119.02712	0.3
119.03410	1.9
125.02406	0.6
134.03732	0.6
136.65454	0.4
143.03447	0.5
145.16516	0.3
159.02939	1.0
161.04503	6.7
173.04596	1.0
179.03442	0.3
185.00923	0.4
193.05016	0.5
195.10280	0.4
209.15500	0.9
250.67079	0.3
371.20816	16.9
372.21252	2.4
389.21765	1.7
397.56320	0.4
431.13681	0.7
431.22989	10.5
432.23251	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	431.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69258	0.2
57.03337	0.6
59.01266	100.0
60.01603	1.4
61.01700	0.3
69.03349	0.4
69.60838	0.7
69.61268	0.5
71.01273	5.8
73.02832	1.6
75.00774	0.2
78.95824	0.2
83.01292	0.5
83.04894	0.2
85.02848	2.4
87.00790	0.3
88.98708	0.4
89.02335	2.8
93.03351	0.2
95.01307	0.3
97.02886	0.2
98.20564	0.2
99.00745	0.8
101.02351	3.5
113.02361	2.9
119.03432	1.5
123.08043	0.2
125.02432	0.2
131.03415	0.2
135.19034	0.2
141.01968	0.2
143.03464	0.5
150.99144	0.2
159.02982	0.4
161.04509	3.8
173.04524	0.4
179.05632	1.0
185.00893	0.2
191.05634	0.3
209.11899	0.2
209.15556	0.2
216.08611	0.2
271.02701	0.2
331.67206	0.1
371.20746	0.9
389.21658	0.2
421.93091	0.2
431.22952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.3
57.03347	0.7
58.00457	0.3
59.01265	100.0
60.01598	1.1
61.98726	0.4
62.10748	0.3
68.99712	0.5
69.03360	1.0
71.01269	9.5
71.59605	0.5
72.99211	0.5
73.02833	4.9
75.00774	0.3
78.24586	0.3
83.01289	1.7
85.02847	2.8
87.00779	0.7
87.04420	0.6
88.98725	0.9
89.02337	6.0
89.02835	0.4
93.03350	0.5
95.01283	0.7
97.02833	0.3
99.00792	2.9
101.02349	7.5
106.05611	0.3
113.02357	5.4
119.03418	3.2
125.02380	0.5
131.03439	0.5
137.02446	0.3
137.16776	0.3
143.03496	1.1
149.04530	0.7
153.09134	1.3
155.03409	0.3
161.04501	4.4
172.67044	0.3
173.04581	1.0
179.03664	0.3
179.05603	1.9
185.00990	0.4
191.05652	0.5
209.15446	1.4
269.17728	1.3
371.20795	5.1
372.21335	0.5
389.22137	0.9
429.98587	0.3
431.09720	0.4
431.22784	4.8
432.23688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2213
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.49004	0.2
59.01252	0.3
62.70195	0.2
62.96283	0.3
65.76994	0.2
70.35349	0.5
70.35712	0.4
73.65757	0.2
75.29864	0.2
78.95795	54.1
96.96864	7.6
96.97501	0.2
98.19815	0.2
113.70554	0.2
132.45131	0.2
150.97977	1.5
152.99529	100.0
153.99887	1.9
171.00594	3.9
255.88831	0.2
277.21808	0.5
364.82349	0.2
431.22144	8.0
431.28067	0.4
432.22269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.8
62.89039	0.2
70.33876	0.6
75.98502	0.2
76.83519	0.2
78.95795	68.5
81.04407	0.2
91.11946	0.2
96.96863	5.7
98.19817	0.2
116.44095	0.2
147.62572	0.2
150.97958	1.8
152.99525	100.0
153.99849	1.6
171.00606	2.6
236.52321	0.2
277.21786	1.1
278.21942	0.2
431.22110	13.3
431.31506	0.5
432.22501	1.7
433.86826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
57.03339	0.6
59.01264	100.0
60.01606	1.5
61.01679	0.4
69.03343	0.4
69.40225	1.3
71.01271	8.2
72.01621	0.2
72.99204	0.5
73.02837	3.7
75.00751	0.2
77.20931	0.2
83.01274	1.4
85.02842	2.8
87.00784	0.3
89.02338	3.8
93.03327	0.2
95.01298	0.8
96.95924	0.3
97.02883	0.2
97.27133	0.2
99.00811	0.7
101.02344	5.6
102.02724	0.2
113.02355	5.0
114.02726	0.2
119.03410	1.4
125.02366	0.2
129.01863	0.2
131.03419	0.2
141.09172	0.5
143.03403	0.4
159.02974	0.2
161.04507	2.0
165.09198	0.3
173.04576	0.2
179.05553	0.4
185.00928	0.5
227.16473	0.9
253.09409	0.2
276.94769	0.2
277.55005	0.2
302.51779	0.2
371.20807	5.1
372.21332	0.5
389.21857	4.8
389.26617	0.3
390.22360	0.7
431.14676	0.3
431.23044	1.0
432.23978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	26.2
60.01590	3.6
61.01688	3.7
61.98718	100.0
71.59130	1.2
78.95792	1.2
89.02335	1.6
91.57420	0.8
96.95931	4.7
99.92458	1.1
101.02344	0.9
121.94322	5.7
163.65063	0.9
225.41653	0.8
238.26494	0.9
250.19066	0.9
294.21567	1.3
295.21741	1.0
403.79916	0.9
441.83252	0.8
452.60138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20729	1.1
55.20637	1.1
59.01264	27.4
60.01605	1.9
61.01674	1.8
61.98717	100.0
69.96662	5.0
69.97085	1.9
71.01272	1.5
73.98419	1.1
78.95781	2.3
89.56701	1.1
93.82818	1.0
93.99928	1.2
96.95906	3.8
98.19849	1.3
104.95464	1.2
152.99506	3.6
194.10054	1.1
212.16913	1.3
213.68245	1.2
285.05521	1.7
295.21768	1.2
314.21808	1.2
371.20767	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	431.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79762	0.2
59.01269	0.7
60.99194	15.5
69.86008	1.0
69.86417	0.4
77.93588	0.2
88.62476	0.3
88.98701	100.0
89.02315	1.5
89.99036	1.1
103.55948	0.2
110.87904	0.3
110.94822	0.2
171.94456	0.3
192.37392	0.2
200.84085	0.2
200.88425	0.2
270.61334	0.3
330.16049	0.3
370.77615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.65557	0.3
60.01601	1.4
61.98734	0.7
65.87180	0.3
71.01277	0.4
71.59005	0.5
76.79876	0.3
78.95804	0.5
81.19155	0.3
89.02368	0.4
91.03919	1.4
93.17393	0.3
135.47565	0.3
141.69737	0.3
152.99550	0.8
181.37344	0.3
182.65971	0.3
195.13907	0.5
261.25372	0.3
277.21857	0.9
295.19553	0.5
295.22864	9.3
296.23318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14936	0.3
50.15172	0.3
59.01264	100.0
60.01609	1.1
61.62152	0.3
61.98711	0.8
69.29453	1.5
69.29885	1.3
83.45453	0.3
87.83392	0.3
89.02338	0.7
91.03905	2.5
98.19804	0.4
136.01588	5.9
136.02579	0.5
137.01952	0.4
166.29431	0.3
195.13918	0.9
211.14539	0.3
234.12372	0.3
259.34430	0.3
277.21844	1.0
295.22842	13.2
296.23230	1.4
298.24185	0.3
378.13766	0.3
447.23709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
56.09709	0.3
57.03334	0.6
58.00446	0.3
59.01265	100.0
60.01606	1.3
61.01685	0.5
61.26034	0.2
61.37046	0.2
67.01765	0.2
69.03340	3.9
69.58961	1.9
71.01270	6.1
72.99203	0.3
73.02837	3.6
75.00767	0.4
79.69873	0.2
83.01279	1.0
85.02837	1.7
87.00778	0.5
89.02343	2.0
89.44489	0.2
93.03358	0.3
95.01304	0.6
97.02853	2.2
98.20535	0.4
99.00763	1.2
101.02352	3.9
107.72449	0.2
108.02058	2.3
109.02875	0.8
111.00779	0.4
113.02367	2.7
119.03404	0.6
123.00786	0.2
123.08076	0.7
131.03470	0.4
135.02705	0.4
137.09645	0.6
138.51802	0.3
139.11255	1.0
141.01891	1.0
143.03450	0.5
149.04526	0.4
152.01086	2.0
152.08369	0.3
153.01855	0.7
153.09067	0.3
161.04485	2.2
163.11269	0.6
165.09317	0.3
167.03447	0.5
173.04570	0.7
181.12386	0.5
183.10289	0.8
185.00882	3.4
189.12871	0.3
191.05623	0.3
196.14014	0.2
203.02037	0.4
203.05698	0.2
207.13928	1.9
225.14929	0.3
243.12325	2.1
369.19226	0.7
387.20569	0.6
423.16254	0.3
429.13922	4.1
429.18826	0.2
430.14539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43336	0.1
53.70256	0.1
57.03337	0.6
59.01266	100.0
60.01606	1.2
61.45145	0.2
69.03347	0.4
70.05174	0.7
71.01272	6.1
73.02835	3.5
75.06200	0.1
75.53177	0.1
83.01270	1.1
85.02858	1.3
87.00798	0.2
89.02339	1.0
95.01302	0.5
97.02861	0.4
99.00786	0.4
101.02348	3.8
113.02357	3.8
118.56995	0.1
119.03465	0.5
121.06513	0.2
123.08069	1.1
125.02327	0.2
131.03473	0.2
135.02660	1.1
137.09633	1.3
138.10060	0.2
143.03465	0.4
149.09741	0.2
159.02988	0.7
161.04501	5.1
163.11285	0.9
167.10727	0.2
173.04546	0.2
179.01683	1.2
179.05460	0.2
181.12329	0.2
185.00935	0.3
189.12907	0.2
203.05632	0.2
207.13902	5.6
208.14316	0.2
225.14926	1.4
243.12596	0.3
369.19388	0.3
429.14252	0.4
429.21436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01777	0.8
57.03339	1.6
57.74354	0.3
58.00467	0.8
59.01263	100.0
60.01595	1.3
69.03342	0.6
71.01268	17.5
71.38456	0.4
72.01619	0.4
72.99208	1.3
73.02833	5.0
83.01269	2.1
85.02845	6.8
87.00796	1.3
89.02333	8.5
95.01289	1.3
97.02830	0.4
97.66003	0.3
99.00800	1.1
101.02346	10.7
105.38927	0.3
113.02352	7.9
119.03416	3.2
121.01089	0.3
123.08025	0.3
125.02303	0.6
131.03409	0.5
137.09723	0.7
139.28859	0.3
142.38818	0.3
143.03462	1.1
153.05492	0.3
153.12814	0.7
161.04527	1.3
163.11163	0.3
164.03491	0.7
173.04573	0.4
179.05522	0.4
195.13884	0.7
197.15457	0.8
205.12317	0.5
207.13951	1.7
223.13443	0.9
225.14993	6.1
226.15314	0.4
267.12476	0.7
369.19244	33.2
370.19684	4.5
387.20316	32.8
388.20590	3.9
429.21420	9.3
430.22134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63573	0.2
52.97522	0.2
55.01772	0.3
57.03092	0.3
57.03331	1.6
58.00468	0.3
59.01264	100.0
60.01596	1.0
60.89059	0.2
61.98717	0.6
69.03348	0.9
70.97631	0.4
70.97999	0.4
71.01271	6.7
72.01599	0.2
72.99211	0.6
73.02836	2.4
83.01274	1.2
83.04913	0.3
83.11499	0.2
85.02842	3.0
85.06492	0.4
86.59641	0.2
87.00799	0.8
89.02339	2.6
93.03379	0.5
94.41514	0.2
95.01314	0.7
96.04463	0.2
96.95917	0.4
97.02842	0.4
99.00781	1.2
99.04421	0.7
101.02350	4.4
108.02077	5.2
109.02879	3.3
109.06563	0.2
111.00764	0.4
113.02349	3.1
119.03423	1.3
121.73342	0.2
123.04443	1.4
123.08054	0.3
125.02324	0.3
129.01854	0.2
131.03461	0.3
131.07076	1.5
135.04448	0.3
137.09642	0.4
141.01851	0.4
143.03468	0.6
151.03912	0.3
152.01100	6.0
153.01880	1.8
161.04507	1.1
161.09604	0.2
163.11273	0.6
164.85030	0.2
167.03490	1.6
173.04536	1.1
179.05617	0.5
185.00926	0.3
187.11279	0.4
189.12912	0.5
191.05667	0.6
195.13925	0.3
205.12372	0.3
207.10245	0.4
207.13991	0.9
209.04654	0.3
223.13414	2.2
225.15019	1.1
249.11412	0.3
250.05330	0.3
267.12485	2.3
274.71915	0.2
329.08957	0.3
369.15561	0.5
369.19516	1.9
387.20282	3.1
387.24234	0.2
390.84372	0.3
429.13757	6.4
429.22446	1.4
430.14459	1.0
430.21326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36478	0.3
58.87888	0.2
59.01262	0.9
65.11385	0.2
69.76677	0.4
69.77092	1.1
99.00750	0.3
99.92473	4.8
100.93272	2.7
115.91989	100.0
116.91997	5.7
116.92783	6.5
117.92715	0.2
132.92290	0.9
142.12225	0.2
142.94365	0.3
172.95430	6.4
173.95514	0.5
185.24002	0.2
221.08421	0.2
234.17841	0.2
250.47185	0.2
255.23357	1.0
263.53076	0.2
355.15808	0.6
371.15631	0.3
381.17468	1.0
429.19592	5.4
429.24789	0.2
430.19675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03337	3.5
59.01263	100.0
60.01596	1.0
60.11565	0.4
61.98712	0.4
69.03342	3.3
70.73794	0.7
70.74193	0.8
71.01265	9.5
72.99206	0.9
73.02827	3.4
75.00755	0.6
78.39441	0.3
78.56660	0.3
83.01275	2.2
83.04928	0.6
85.02837	2.7
87.00774	1.6
89.02333	5.0
93.03363	0.9
95.01290	1.0
96.46035	0.3
96.95890	0.3
97.02887	0.9
99.00806	1.3
99.04430	1.5
101.02340	6.8
107.04945	1.0
113.02365	4.1
119.03412	2.6
123.04451	0.8
125.02364	0.8
130.08615	0.4
131.03421	0.5
135.04449	1.3
137.09709	0.5
141.01868	0.6
143.03464	0.7
159.02983	0.4
161.04488	3.6
161.09671	1.4
161.13336	0.8
163.11232	0.7
166.05084	0.3
173.04468	1.8
179.03487	0.7
179.05559	0.8
185.00897	2.3
187.11208	1.7
189.09209	0.7
191.05405	0.4
203.02309	0.4
205.12309	1.0
207.10271	2.1
207.13768	0.5
223.13390	13.7
224.13788	1.1
229.12328	0.7
249.11391	1.6
267.12424	18.3
268.12881	1.4
309.13571	1.1
357.28674	0.4
369.15378	1.3
369.19415	2.4
370.11032	0.7
387.20621	0.7
429.16763	0.7
429.22116	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55551	0.6
57.03328	3.4
58.00485	0.8
59.01263	100.0
60.01598	1.3
61.98704	0.8
66.37901	0.6
69.03345	2.9
70.45016	1.1
70.45364	1.8
71.01269	19.1
71.04923	0.6
71.35872	0.6
72.99199	1.4
73.02830	5.0
74.02348	1.2
74.98332	0.6
75.00756	0.7
81.03338	1.0
83.00858	0.6
83.01255	3.2
83.04907	3.5
85.02840	4.3
87.00774	5.9
89.02332	13.0
93.03361	1.3
95.01309	2.1
95.04896	0.7
97.02876	1.4
97.06487	5.0
101.02338	10.5
101.02931	0.9
107.04933	11.0
109.02872	2.9
112.10795	0.7
113.02361	8.1
119.03415	4.8
120.05724	2.7
123.00808	4.1
124.01654	0.9
125.02348	1.2
127.03845	0.7
131.03418	1.0
135.00841	1.3
135.04465	3.2
137.09729	0.6
141.05515	1.5
143.03467	1.6
149.04454	0.7
152.04678	0.8
153.01900	6.9
159.08121	0.9
161.04520	2.3
161.09679	8.3
161.13292	3.3
162.10066	0.9
163.11179	1.5
166.99802	6.3
172.08890	0.6
173.04546	1.9
175.93098	0.6
179.05559	2.0
182.02206	4.2
183.02913	1.7
183.94586	0.6
185.00816	0.7
187.11250	12.1
189.09248	3.1
191.05626	0.7
203.10799	2.4
205.12363	4.9
207.10257	4.0
207.13919	0.8
223.13390	55.0
224.13690	4.6
229.12413	1.8
231.10402	0.8
249.11331	4.7
267.12433	73.0
268.12793	5.6
291.12534	1.2
309.13593	1.5
429.13309	2.4
429.18042	7.8
429.26559	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.9
57.03340	1.0
58.00481	1.1
59.01266	100.0
60.01608	2.0
61.98722	0.5
69.03349	2.6
71.01273	21.0
72.99217	1.7
73.02835	17.4
75.00786	0.9
78.95786	0.7
83.01285	6.1
85.02842	6.3
87.00788	1.7
89.02346	5.4
90.72753	0.4
93.03390	0.8
95.01297	0.9
95.04946	0.4
96.82542	0.5
96.96009	0.4
97.02856	0.7
97.07746	0.4
99.00823	1.8
101.02348	17.2
109.02898	0.6
113.02364	6.4
116.17423	0.4
119.03437	1.5
121.02901	1.2
122.03667	2.2
123.04501	0.6
124.01582	0.5
125.02425	0.8
131.03474	0.7
135.04498	1.1
137.02361	0.8
137.45674	0.4
138.99532	0.4
143.03459	0.7
147.08083	0.5
152.01157	0.5
154.02612	0.8
155.03496	0.6
159.02977	0.8
161.04517	2.8
162.06902	0.6
162.42628	0.4
163.11243	21.4
164.11598	1.5
167.03391	0.5
173.04526	1.5
179.05577	0.5
185.00851	0.5
191.05609	0.4
207.10185	0.5
252.09984	2.6
253.10803	1.0
267.12436	18.1
268.12830	1.7
368.78717	0.5
369.15732	1.3
373.35846	0.5
387.16623	4.3
429.17752	78.5
430.18066	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	429.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01242	0.4
55.01762	2.5
55.50789	0.4
57.03334	2.6
58.00490	0.7
59.01264	100.0
60.01605	1.7
61.98726	1.3
66.31627	0.4
68.99698	0.7
69.03341	47.6
70.03685	1.4
70.44374	0.8
70.44764	1.0
71.01274	13.6
72.99192	2.1
73.02827	4.0
81.03382	0.5
83.01295	1.7
85.02838	4.4
87.00762	3.0
89.02342	10.6
93.03394	0.6
95.01302	1.9
97.02853	10.0
97.06507	1.9
99.00782	12.6
99.01438	0.6
101.02348	8.4
107.04935	4.0
113.02357	6.9
119.03437	3.6
121.99599	0.4
123.00831	0.8
123.04451	1.8
123.08072	0.5
125.02433	0.4
131.03429	0.4
132.03844	0.4
133.06546	0.6
135.04463	1.5
139.11281	1.1
141.01892	3.9
141.05544	0.5
143.03471	1.1
149.04550	0.5
153.05563	0.6
159.11903	0.5
161.04514	1.9
161.09682	3.4
161.13348	1.7
163.11198	1.2
173.04559	1.5
175.45979	0.4
179.05594	2.5
180.04289	0.9
181.04982	0.4
183.10362	1.0
185.00882	42.5
186.01291	1.8
187.11232	4.8
189.09236	1.7
189.13016	0.5
191.05693	0.4
203.10901	0.8
205.12291	2.4
207.06662	0.5
207.10229	2.6
207.13943	2.1
213.60915	0.4
223.13391	24.8
224.13797	1.9
225.11330	0.8
225.15071	1.1
229.12541	1.0
231.10313	0.5
243.12422	6.3
249.11340	2.4
267.12405	26.7
268.12790	2.4
306.91638	0.4
309.13693	1.2
339.14706	1.2
369.15503	2.1
369.19406	4.1
387.20349	3.9
388.20670	0.7
401.96631	0.4
429.14221	7.3
429.21979	1.1
430.14038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03335	3.8
58.00478	1.0
59.01264	100.0
60.01600	1.3
69.03342	8.9
69.65527	3.2
71.01271	18.2
71.04913	0.5
72.01611	0.4
72.99197	0.9
73.02846	4.1
78.34109	0.4
82.49946	0.4
83.01286	2.2
83.04913	0.8
83.40596	0.4
85.02834	4.5
87.00771	5.1
89.02337	11.0
92.22822	0.5
93.03371	0.5
93.48279	0.5
95.01302	1.2
97.02855	1.9
97.06490	3.6
98.19915	0.5
99.00787	2.6
99.04452	0.4
101.02345	10.1
107.04932	9.5
109.06574	0.5
109.96616	0.4
113.02361	9.0
114.02691	0.5
119.03426	4.1
120.05692	2.0
121.06507	0.4
123.04443	0.8
131.03419	1.3
135.04433	2.9
141.01849	0.7
141.05530	1.1
143.03470	1.4
146.07292	0.6
149.04491	0.4
149.51839	0.5
152.04721	0.7
159.08110	0.5
159.11665	0.6
161.04532	2.7
161.09676	7.2
161.13248	3.3
163.11240	1.8
168.68205	0.5
173.04541	1.4
179.05563	2.3
185.00880	7.5
185.09746	0.4
185.13463	0.4
187.11253	9.9
189.09167	4.0
191.05656	0.5
203.10834	1.8
205.12297	4.9
207.10225	2.8
207.13869	0.9
223.13400	45.8
224.13770	4.1
225.14975	0.9
229.12396	1.8
243.12473	0.7
249.11366	4.5
267.12433	48.9
268.12726	4.8
291.12326	0.7
309.13562	1.1
369.15567	1.2
369.19516	3.1
387.20410	1.9
429.17340	5.8
429.22507	1.0
430.18082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01608	1.0
71.01296	0.8
71.59039	1.0
89.35666	0.6
95.04948	0.7
99.79002	0.6
107.85404	0.6
110.10983	0.6
139.73148	0.6
141.25430	0.6
152.99612	1.0
173.04544	0.8
251.38911	0.9
293.21365	1.9
330.05588	3.8
367.13861	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	429.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52146	0.5
51.96054	0.6
55.01776	3.7
57.03338	2.9
58.00478	1.0
59.01265	100.0
59.71865	0.5
60.01603	1.5
61.07530	0.5
61.98721	0.7
67.01782	1.0
69.03344	85.6
69.09248	0.5
69.34570	4.2
69.34981	1.1
70.03673	1.5
71.01272	17.6
71.04921	0.6
72.99206	3.2
73.02845	3.5
75.00764	0.9
78.95787	0.7
79.01788	1.6
83.01289	2.3
85.02863	4.4
87.00777	2.7
89.02335	14.2
93.03326	0.9
95.01294	3.3
96.95883	0.8
97.02853	16.2
97.06507	2.0
98.20503	1.3
99.00782	23.7
99.04453	0.9
100.01122	0.6
101.02347	9.1
101.85574	0.5
107.04929	4.5
109.02865	0.5
113.02361	8.8
119.03417	5.5
120.05766	1.6
123.00799	1.5
123.04436	5.5
131.03444	1.1
135.04482	1.6
136.05261	0.9
138.03230	0.5
139.11209	1.5
141.01849	5.6
143.03484	0.8
161.04517	1.7
161.09671	4.4
161.13275	1.7
163.11192	1.3
173.04538	1.9
179.05557	3.9
179.45674	0.5
180.04266	1.5
181.12306	0.7
183.10179	1.9
185.00893	73.0
186.01169	3.3
187.11293	6.1
189.09207	2.5
191.05556	0.8
192.04262	0.8
199.13356	0.8
203.01967	0.6
203.10722	1.2
205.12328	2.9
207.06789	1.0
207.10262	1.9
207.13921	0.9
223.13405	29.3
224.13809	2.0
225.15065	1.3
229.12341	1.3
243.12415	12.1
249.11401	2.8
257.59531	0.6
267.12430	32.6
268.12766	2.0
285.10074	0.6
309.13553	1.7
339.14694	0.9
344.46860	0.6
369.15414	2.2
369.19580	3.4
370.19534	0.8
387.20349	3.8
429.13443	14.0
430.14172	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	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.37908	0.3
60.01593	0.8
63.19267	0.3
69.33194	0.3
70.98220	0.8
74.41913	0.4
82.83322	0.4
89.02348	0.6
91.03894	2.6
94.55549	0.3
97.84298	0.4
147.24892	0.3
174.72188	0.3
175.05779	0.3
175.23674	0.5
195.13873	0.6
199.34053	0.3
223.13501	0.5
275.20334	0.8
293.21320	12.4
294.21600	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	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01572	1.0
61.98715	1.0
64.36742	0.5
66.30554	0.6
71.56656	1.0
78.95792	1.7
82.11748	0.6
96.95886	0.8
134.22665	0.6
152.99649	0.8
215.59955	0.7
225.83751	0.7
367.16928	1.2
435.11404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1983
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
55.01754	1.2
57.03335	22.7
57.97318	0.4
58.00483	0.8
59.01262	100.0
60.01594	1.0
67.01766	0.6
69.03339	3.0
71.01267	34.7
71.59820	0.8
72.01618	0.6
72.99201	3.2
73.02833	26.6
74.03146	0.4
75.00760	11.5
76.13676	0.4
81.03348	0.4
83.01275	9.5
85.02839	14.5
86.03190	0.4
87.00773	3.8
89.02336	5.8
93.03353	1.4
95.01276	2.0
95.04923	0.5
96.95908	0.5
97.02829	1.9
97.06477	0.4
99.00798	3.3
99.04416	15.9
100.04738	0.5
101.02345	29.2
102.02682	0.5
102.10797	0.3
111.00739	0.8
111.04424	0.5
113.02355	13.2
113.05994	0.4
114.02710	0.5
119.03422	2.0
121.02858	0.6
123.04414	0.3
125.02364	5.7
129.01929	0.4
131.03413	1.5
133.02896	0.5
135.04453	0.6
135.08078	0.5
143.03427	1.8
147.04430	0.5
149.04500	1.2
150.03220	0.5
153.09142	1.4
155.03433	0.9
156.34814	0.4
161.04498	6.0
163.11214	0.7
173.04507	3.7
185.00871	1.5
191.05550	0.8
203.05634	0.7
205.12308	2.8
223.09799	0.5
223.13351	0.6
225.56407	0.4
238.36667	0.4
283.11899	4.8
284.12302	0.9
385.18643	0.8
409.18634	1.2
427.19812	52.0
428.20288	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	427.1982
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01767	1.0
57.03337	2.5
58.00487	0.9
58.54034	0.3
59.01265	100.0
59.64127	0.3
60.01606	1.5
61.98729	0.3
65.57069	0.3
69.03344	5.9
71.01270	34.3
71.15538	0.5
72.01620	0.6
72.99194	1.8
73.02835	36.2
74.03172	0.5
75.00757	0.8
81.03357	0.4
83.01277	10.2
85.02843	5.9
87.00774	2.1
89.02338	11.7
93.03391	0.4
95.01282	1.7
97.02833	1.8
99.00780	2.9
99.04443	1.1
101.02346	33.6
102.02680	0.8
113.02357	14.3
119.03423	5.1
119.04256	0.4
121.02946	0.4
123.08099	1.5
125.02359	1.5
131.03438	2.7
133.23512	0.3
135.08092	0.7
137.02396	0.4
141.01872	0.5
142.88408	0.3
143.03429	2.8
147.08113	1.0
149.04501	2.8
151.11223	0.3
153.09166	8.9
154.09494	0.3
155.03430	1.3
161.04503	9.4
161.09673	0.4
165.09181	0.6
173.04530	0.8
179.05582	1.7
179.10777	0.5
185.00880	4.0
186.01289	0.4
187.11298	1.9
190.10022	0.6
191.05579	0.5
203.05692	0.8
203.10826	0.9
203.14539	0.5
205.12332	11.2
206.12738	0.8
221.06645	0.8
223.13416	2.1
268.79053	0.3
367.17728	3.6
368.17871	0.4
383.17224	0.9
385.18719	5.1
385.23370	0.4
386.19284	0.5
427.13135	0.6
427.19852	4.1
428.20358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17859	0.5
57.03338	100.0
58.00482	0.8
58.03677	1.7
59.01264	69.7
60.01616	0.9
60.80733	0.5
64.20521	0.5
69.03336	1.1
70.07938	2.5
71.01269	23.7
72.99200	1.0
73.02834	16.7
75.00756	0.8
75.01157	0.5
79.05429	0.9
81.03359	1.9
83.01273	6.3
85.02848	3.0
87.00803	0.8
89.02335	17.2
95.01296	1.5
95.04937	0.7
97.02910	0.8
97.06499	1.4
99.00758	0.7
99.04419	72.7
100.04768	2.2
101.02349	39.0
102.02680	0.6
113.02361	10.6
113.06020	2.1
117.01781	0.7
119.03413	6.8
123.04440	10.7
125.02371	24.2
126.02728	0.8
131.03427	1.7
141.05522	2.7
143.03430	4.9
149.04477	3.0
153.05531	1.2
155.03474	0.9
161.04517	6.9
179.05583	3.9
189.07593	0.6
219.06024	0.5
221.06688	0.6
283.12033	1.0
427.16141	3.1
428.16544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1983
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
55.01778	1.6
57.03333	2.8
58.00488	1.2
59.01266	100.0
60.01604	1.0
61.18881	0.6
63.43639	0.5
67.44996	0.7
69.03347	5.0
71.01270	47.5
71.55145	0.6
71.55473	1.1
72.01620	0.8
72.99197	2.2
73.02835	25.2
75.00755	3.0
83.01276	8.2
85.02846	28.2
86.03183	0.8
87.00762	1.3
89.02334	16.7
93.03343	1.4
95.01287	7.9
97.02859	3.1
99.00821	1.4
99.04427	0.6
101.02347	57.7
102.02702	1.2
105.39149	0.5
111.04440	0.7
112.10564	0.6
113.02359	64.5
114.02693	1.8
115.03908	0.6
119.03423	12.0
125.02362	1.8
131.03429	9.6
137.02342	1.0
140.11641	0.7
141.45821	0.6
143.03445	5.4
146.35181	0.5
147.02943	1.1
149.04517	5.9
161.04477	10.9
173.04541	0.7
185.00801	0.6
191.05559	0.7
221.06689	1.1
263.55612	0.8
367.17682	2.3
385.18658	2.1
427.19803	57.5
428.20169	9.9
437.91541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.5
61.98716	3.1
61.98985	0.6
69.03345	4.8
71.01268	47.9
71.56356	0.8
72.99196	15.3
82.29041	0.5
87.00741	0.6
88.64888	0.6
93.03356	1.3
96.95940	0.8
96.99228	1.1
107.08613	1.0
108.05745	0.7
115.00293	14.7
119.08591	9.1
121.10161	0.8
125.09576	0.9
127.11216	1.5
133.01328	2.0
135.08078	2.1
137.09648	29.9
138.09967	1.6
142.75458	0.6
152.53188	0.6
171.10219	71.1
172.10535	3.0
201.11301	6.3
229.19542	1.4
237.02744	0.6
247.53133	0.6
273.18640	3.6
291.19733	10.0
292.20135	1.1
309.20770	100.0
310.21097	12.2
343.76038	0.7
407.20822	9.3
408.21060	0.9
425.10004	0.7
425.22031	7.6
426.22369	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1982
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
50.12938	0.2
55.01766	1.6
57.03338	0.6
58.00482	2.0
59.01265	100.0
60.01597	0.9
60.94287	0.2
69.03349	3.1
71.01270	57.4
71.16640	0.6
72.01620	1.3
72.99207	2.1
73.02836	94.6
74.03159	1.2
75.00762	1.2
81.03345	0.9
82.03134	0.2
83.01277	25.8
84.01627	0.4
85.02844	3.7
87.00774	1.4
89.02341	8.3
92.22667	0.3
95.01293	0.9
97.02853	2.4
99.00775	2.2
99.04472	0.4
101.02347	61.8
101.30556	0.3
102.02686	1.4
111.00790	0.4
113.02359	11.0
117.01809	0.3
119.03413	2.5
125.02361	2.6
127.03978	0.3
131.03429	3.5
133.75485	0.2
141.01816	0.6
143.03438	3.6
149.04512	3.9
149.09727	0.4
155.03433	2.1
161.04501	9.6
162.04825	0.5
163.77470	0.3
177.77962	0.2
203.02007	0.5
203.05592	0.8
221.06717	0.8
252.41719	0.4
362.91342	0.3
363.94849	0.3
367.17636	0.3
385.18637	2.0
386.18936	0.3
427.19806	79.5
428.20160	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	427.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92272	0.3
55.01764	0.5
57.03331	0.6
58.00479	1.0
59.01264	100.0
60.01591	1.3
67.66486	0.3
69.03358	0.7
69.66418	0.9
69.66829	1.9
71.01269	21.8
72.99170	0.4
73.02835	17.0
79.56464	0.4
83.01277	4.7
85.02843	4.7
87.00775	1.3
88.34767	0.4
89.02333	6.9
90.09420	0.4
93.03388	0.5
95.01292	1.4
97.02859	1.0
99.00803	1.1
101.02345	15.8
113.02355	10.2
114.02674	0.4
119.03432	2.7
123.08069	1.2
125.02384	0.7
131.03442	1.8
136.05217	0.5
138.06799	1.7
139.07640	0.9
143.03482	1.3
149.04504	1.2
151.07584	2.3
152.08365	8.6
153.09154	18.2
154.09566	0.7
161.04492	5.5
161.09648	0.5
165.09244	0.7
173.04478	0.6
179.05594	1.3
187.11269	0.7
187.41371	0.4
190.09982	0.5
200.62817	0.4
203.05521	0.5
203.10742	0.4
205.12325	13.5
206.12762	0.9
223.13387	3.3
237.81174	0.4
348.44110	0.4
367.17691	8.9
368.18073	1.3
385.18655	3.0
427.19989	1.4
437.22110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01613	1.2
61.98712	1.6
64.12078	0.6
71.01254	1.1
71.59081	1.0
75.96433	0.6
106.82273	0.5
136.11777	0.6
141.01747	0.6
213.33879	0.6
254.54988	0.7
287.46213	0.6
291.19672	3.6
309.20636	0.9
329.85333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34639	0.2
59.01266	100.0
60.01609	1.0
61.98719	0.5
71.01267	4.0
71.45822	0.5
72.99212	1.0
92.92715	0.4
115.00261	1.8
133.01306	1.7
139.11267	0.4
148.56326	0.3
165.12865	0.5
167.10825	0.3
172.93768	0.3
191.25685	0.2
199.13478	0.3
214.12048	0.4
247.20786	0.3
273.18585	0.4
291.19736	5.6
292.19965	0.3
309.20779	16.3
310.21243	1.9
339.19760	0.2
398.53552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72007	0.3
54.98463	0.2
55.01765	0.5
57.03335	0.9
58.00483	0.9
59.01264	100.0
60.01608	1.6
69.03345	0.9
69.45916	2.3
71.01268	16.7
72.99208	0.7
73.02835	15.4
75.00760	0.7
80.82716	0.2
81.03347	0.4
83.01272	3.8
85.02842	4.5
87.00791	0.9
89.02335	7.0
93.03349	0.7
95.01292	1.2
97.02840	0.6
99.00790	1.1
101.02345	15.6
111.04472	0.3
113.02358	5.9
119.03426	3.3
125.02428	0.4
129.07027	0.5
131.03464	1.0
133.02887	0.4
143.03442	1.3
149.04526	0.7
155.03476	0.4
159.11766	1.1
161.04498	3.1
173.04565	1.1
175.04059	0.3
179.05614	1.1
179.10812	0.7
185.00812	0.3
187.71445	0.3
191.05600	0.6
193.12387	0.4
203.10733	1.2
206.09444	0.3
219.08144	3.2
221.11835	4.5
234.06958	0.3
238.57082	0.3
246.11496	0.3
263.07193	3.0
339.18152	2.0
402.55783	0.3
420.96561	0.3
425.18597	1.2
426.18185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
57.03338	100.0
58.00499	0.5
58.03672	1.5
59.01264	73.2
60.01600	0.7
61.98722	2.6
69.03349	2.4
70.34560	0.6
71.01267	14.5
72.99189	1.4
73.02825	6.4
75.00780	1.8
78.95809	0.7
79.16017	0.5
80.96420	0.8
81.03344	1.2
83.01278	4.8
83.26098	0.5
85.02853	7.7
87.00786	1.7
87.04411	3.9
89.02361	2.6
89.25470	0.7
93.03372	1.0
94.69884	0.5
95.01307	2.2
95.93420	0.5
97.02854	0.9
97.92415	0.6
98.40884	0.6
99.00780	4.1
99.04421	76.6
100.04769	1.7
101.02347	32.3
101.05995	5.8
102.02702	1.0
113.02368	8.3
116.99067	0.6
119.03432	0.8
121.89419	0.5
125.02364	21.1
143.03433	1.7
159.02960	1.1
161.04486	3.4
173.04568	2.5
185.00911	1.2
191.05630	0.7
229.21272	0.7
256.95081	0.6
273.07666	0.8
277.16617	24.5
278.17090	2.3
319.17719	2.0
364.76743	0.7
392.62558	0.6
421.16248	4.7
421.21335	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	423.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.9
61.98722	0.6
70.12567	0.3
70.93113	0.6
70.93447	0.4
74.16186	0.3
93.03364	1.9
95.01290	0.7
106.16050	0.4
108.02075	1.4
109.02854	1.1
136.01596	12.0
180.25479	0.3
215.08678	1.2
230.07368	0.5
241.06593	0.4
243.08101	2.3
257.06143	1.3
258.06885	6.2
259.07672	29.7
260.07996	3.3
269.06073	0.7
271.07578	0.5
287.07199	26.4
288.07495	2.8
292.08923	0.4
293.09796	0.9
295.11383	0.5
304.08890	0.6
305.09741	0.8
307.07727	0.4
309.09140	0.6
311.10980	1.0
320.08438	1.2
321.09286	3.3
322.09821	0.9
323.10864	0.6
325.08698	0.4
331.07849	0.9
332.08636	0.5
333.09216	0.9
337.08713	0.9
339.10278	1.4
340.10419	0.5
348.07968	1.5
349.08749	6.2
350.09299	1.3
351.10339	10.8
351.17343	0.6
352.10693	2.2
359.07324	1.2
360.07928	2.1
361.08615	1.1
366.09076	0.5
367.09808	28.8
368.10126	4.2
375.06793	1.0
376.07465	4.4
377.08246	18.8
378.08542	3.0
379.09726	0.8
393.07767	0.6
395.09311	22.1
396.09628	3.4
404.06949	1.1
405.07712	4.4
406.08301	1.0
422.07883	0.6
423.08838	100.0
424.09158	16.7
424.15082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1672
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
53.02667	0.3
54.08734	0.3
55.01768	0.3
57.03349	0.4
59.01266	11.1
60.01600	0.3
60.41843	0.3
61.98718	0.5
68.99698	1.5
69.03348	0.7
71.01276	2.1
71.58344	0.4
73.02839	0.8
76.66176	0.3
78.95781	0.3
83.01266	0.5
85.02845	1.6
89.02376	0.2
93.03378	0.8
95.01295	0.4
97.02874	0.8
99.00788	0.4
101.02336	2.3
107.31763	0.3
113.02353	1.2
115.05450	0.7
117.03378	25.4
118.03706	1.0
119.04944	12.7
120.05279	0.6
121.02877	0.9
123.00825	0.3
123.04440	0.3
125.02335	0.3
127.07650	0.3
133.02901	0.9
134.03674	1.1
135.04399	0.3
137.02420	0.3
141.01883	0.8
143.04967	13.7
144.05341	0.8
145.02890	100.0
146.03235	5.0
147.02899	0.3
161.04556	0.6
161.06036	1.1
162.03169	0.6
163.03963	7.9
164.04272	0.6
173.04524	1.4
177.01900	0.3
185.00981	0.3
187.03978	22.6
188.04335	1.2
191.05586	1.1
200.38654	0.3
203.01854	0.3
205.05049	1.0
231.10286	0.7
235.11929	1.7
235.63182	0.3
275.09314	1.8
279.99747	0.3
301.94879	0.3
303.11032	0.5
363.14572	5.2
364.15143	0.6
381.15634	4.0
382.15668	0.3
410.09781	0.3
423.16699	45.1
424.17090	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	425.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84299	0.1
59.01260	0.5
59.89274	0.1
69.03352	0.1
71.01259	0.3
73.02855	0.1
73.06817	0.0
83.02377	0.0
84.17427	0.1
85.02840	0.1
93.03338	0.6
98.19703	0.1
101.02388	0.1
102.33197	0.1
135.04440	0.1
161.04388	0.1
165.07054	0.2
173.04428	0.1
191.05611	0.1
191.08617	0.4
193.06544	0.2
198.43680	0.1
217.06621	0.1
218.07335	0.2
219.08147	100.0
220.08470	9.4
221.06145	0.2
233.09541	0.1
263.07172	87.5
264.07504	8.7
305.08496	0.1
425.06790	0.1
425.12546	1.6
425.18018	0.1
426.12903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.248
Annotation	Lythranidine
Peak:m/z	Relative Intensity
51.27279	0.3
59.01263	1.9
70.73975	0.8
70.74303	0.3
74.17777	0.3
78.95798	15.2
89.02328	0.4
94.56364	0.3
96.95926	0.3
103.22586	0.3
107.49928	0.3
122.00031	0.8
127.11171	0.5
134.98373	0.4
137.81602	0.3
140.01120	4.3
140.76976	0.3
152.99515	1.3
166.02615	0.3
167.14326	0.6
169.12193	0.6
181.80385	0.3
196.02037	0.5
196.03780	8.0
197.04108	0.5
211.13220	0.7
214.04784	1.8
227.20175	100.0
228.20514	8.1
229.14491	1.3
272.18671	0.6
302.92743	0.3
326.23392	0.4
365.12149	0.3
424.24808	26.9
425.14297	0.7
425.25235	3.5
449.82285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
69.53594	3.2
69.54005	5.1
71.01277	10.0
71.04869	1.2
72.99200	2.1
85.02843	4.6
87.04414	45.5
88.04766	1.5
89.02336	10.0
93.07011	1.1
101.02348	9.1
104.02460	1.2
113.02347	7.8
113.81914	1.2
119.03416	6.7
123.08052	1.4
137.06041	2.2
139.11208	7.4
143.03401	1.9
157.12262	1.4
161.04477	3.6
173.04640	4.4
179.05621	2.7
183.10188	1.6
188.07117	2.3
191.05617	4.0
201.11307	82.8
202.11687	3.8
214.75610	1.1
225.11346	6.2
232.06195	2.2
243.12396	2.1
250.07274	5.8
288.89438	1.2
303.14267	1.2
363.16721	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03337	100.0
58.03676	1.6
59.01264	82.9
59.81598	0.5
60.01633	0.5
65.91898	0.4
67.33413	0.5
69.03342	0.9
69.58389	3.1
71.01271	15.9
72.99203	0.8
73.02833	6.1
74.18003	0.4
75.00793	0.7
75.65433	0.5
81.03346	1.5
83.01267	4.7
85.02842	9.0
87.00743	0.7
89.02351	1.2
90.98504	1.1
93.03389	0.6
95.01299	1.7
97.02830	0.8
98.19814	1.0
99.00794	2.8
99.04417	75.8
100.04781	1.2
101.02347	31.3
102.02679	0.6
103.83264	0.4
111.00790	0.6
113.02351	6.6
125.02361	22.3
126.02700	0.7
130.41389	0.5
143.03432	1.9
159.02919	1.0
161.04495	5.1
164.06281	0.5
173.04509	1.9
190.18451	0.5
279.14542	22.8
280.14862	1.3
321.15494	2.0
361.18652	0.8
423.06769	0.5
423.19125	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	419.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70372	0.3
55.01764	0.6
57.03349	1.2
58.00492	0.6
59.01267	100.0
60.01609	1.6
61.07516	0.3
69.03348	1.3
69.40974	0.4
69.85650	1.6
71.01276	12.5
72.01630	0.4
72.99215	0.8
73.02837	2.4
75.00797	0.4
78.41742	0.3
83.01279	1.2
85.02847	4.3
87.00779	1.1
89.02335	8.7
93.03392	0.6
95.01280	0.7
97.02856	0.4
99.00794	1.3
101.02352	10.6
105.22234	0.4
113.02349	5.6
119.03436	3.7
119.92331	0.3
123.04457	0.5
125.02404	0.4
130.29448	0.4
135.04388	0.4
143.03471	0.9
159.02959	0.6
161.04507	8.1
162.04861	0.4
172.03810	0.4
173.04500	1.2
179.05600	1.3
179.10725	0.4
191.05649	0.6
195.13841	0.5
198.17079	0.4
359.17197	20.2
360.17719	1.6
375.20566	1.7
419.13962	0.5
419.19348	8.2
419.24597	0.4
420.19629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74141	1.1
55.01760	1.6
57.03339	16.1
59.01267	32.4
60.79317	0.9
60.80038	1.0
61.98730	5.2
68.43925	1.1
68.99712	1.7
69.03346	11.2
69.07180	0.9
71.00900	1.7
71.01268	21.3
71.59702	1.7
72.99202	8.0
73.02832	3.1
75.00760	31.0
78.95754	1.7
83.01280	2.5
85.02839	28.4
87.00777	10.2
87.04408	92.6
88.04766	1.6
89.02317	6.0
93.03356	2.3
95.01298	6.6
97.02853	2.6
99.00784	18.7
99.04415	10.8
101.02341	4.9
101.05983	81.7
102.06332	2.9
103.00266	2.4
111.00791	1.5
113.02354	34.5
115.00302	3.5
117.01829	6.5
125.02359	3.0
129.01854	2.2
134.03709	1.7
137.02367	1.6
139.56924	1.1
157.01306	1.5
161.04539	1.0
173.04514	3.9
175.02420	3.9
178.02682	3.9
185.00874	6.8
191.05618	3.9
231.05124	1.9
247.09830	2.4
249.06224	2.0
277.16611	3.2
319.10321	3.1
333.11945	1.5
337.11469	2.9
403.16150	1.3
421.17242	100.0
422.17596	14.8
425.20834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57989	0.5
53.09269	0.4
55.01777	0.7
55.94550	0.4
57.03328	4.4
58.61848	0.5
59.01264	19.4
61.98711	2.2
67.01801	0.6
68.99709	1.2
69.03337	2.0
69.42826	0.4
71.01268	21.6
71.57735	0.9
72.99200	7.4
73.02829	1.8
75.00763	27.1
76.61387	0.5
78.95749	0.7
80.96372	0.6
83.01268	1.0
84.02102	0.6
85.02840	25.9
85.98734	0.5
87.00774	9.9
87.04408	63.4
88.04740	1.2
89.02337	4.9
89.73097	0.6
95.01279	7.0
97.02865	0.8
97.06490	0.5
99.00786	17.3
99.04408	1.4
100.58189	0.5
101.02378	1.8
101.05984	100.0
102.06316	3.7
103.00274	3.5
104.28692	0.5
111.00794	0.9
113.02356	36.3
114.02699	1.0
115.00261	2.9
117.01850	4.9
129.01875	2.7
139.00272	1.0
157.01352	1.3
173.04594	1.7
175.02452	4.2
177.38728	0.5
185.00815	0.8
191.05548	1.3
192.17416	0.5
193.03497	2.0
205.07147	0.7
231.05020	1.3
249.06131	4.5
263.47006	0.6
288.39639	0.6
289.36548	0.5
319.10529	2.2
333.12119	2.3
337.11609	2.7
351.12943	6.2
361.15134	1.2
403.16177	2.0
421.17233	97.1
422.17551	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	419.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.5
57.03337	0.9
58.00480	1.6
59.01267	33.7
61.98703	0.4
63.26924	0.5
69.59592	0.9
69.60004	2.0
71.01272	15.6
72.01621	0.5
72.99197	1.9
73.02840	1.2
75.00772	0.5
82.52644	0.5
83.01276	1.5
84.02000	0.4
85.02843	3.8
87.00768	1.7
89.02341	12.6
91.08152	0.5
95.01297	0.7
99.00779	0.6
101.02345	12.0
113.02352	5.1
119.03422	4.9
119.07346	0.4
137.14584	0.4
143.03365	0.5
183.17555	0.5
209.19092	1.2
211.20673	24.9
212.21028	1.8
219.28236	0.4
236.54514	0.4
239.20139	4.6
241.21712	0.9
253.21779	1.6
257.21265	40.9
258.21609	4.0
299.22253	0.8
419.26605	100.0
420.26932	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	100.0
60.91734	21.9
61.98721	34.1
70.87695	54.5
78.98369	17.4
88.98698	72.3
96.95914	22.4
103.62544	19.0
117.73608	16.6
128.29813	18.7
287.07156	44.9
329.17447	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58936	0.3
57.03336	0.6
58.03337	0.2
59.01268	3.4
61.98722	6.5
67.01778	0.6
69.03351	3.3
71.01268	1.2
71.58161	0.3
71.58607	0.3
72.02053	0.3
78.95792	1.2
79.09092	0.3
85.02851	0.8
85.79576	0.3
87.00801	0.4
93.03380	1.1
96.95914	0.3
99.04434	0.9
101.02336	0.8
108.02096	0.5
109.02860	1.5
117.76367	0.3
121.02856	1.3
123.04436	1.6
125.02343	0.5
135.04462	0.8
137.02379	15.9
138.02769	0.5
164.04753	1.2
165.01891	87.2
166.02213	4.7
173.04504	1.6
179.03473	1.3
179.07097	1.0
180.04253	53.4
181.04610	3.0
191.03624	0.3
191.05576	0.5
195.06615	100.0
196.06955	6.5
201.09265	0.3
205.08725	1.4
208.07367	1.3
223.09770	9.4
224.10088	0.7
239.09282	0.7
385.60886	0.3
390.29700	0.4
419.17526	2.6
419.22375	0.7
419.30734	0.4
420.17892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83805	1.0
55.01755	1.4
57.03321	3.9
59.01264	100.0
60.01611	1.1
61.98705	1.9
71.01269	36.5
71.04899	7.7
72.99182	1.8
73.02841	6.7
75.00734	2.2
77.70788	0.9
83.01256	2.7
83.04897	1.2
85.02843	9.7
85.06490	1.0
87.00763	3.5
87.04390	4.4
89.02348	10.2
93.03349	3.2
95.01288	1.4
98.19916	1.0
99.00772	2.2
99.04406	2.1
101.02332	16.0
111.04391	1.0
111.08051	3.3
112.17568	0.9
113.02348	8.2
119.03403	3.4
125.02382	1.2
125.06030	2.0
131.07048	2.2
141.09142	1.2
143.03368	1.3
143.07079	49.1
144.07414	1.5
159.03046	1.1
161.04483	5.5
162.59395	1.0
167.10742	1.6
172.73758	1.0
173.04485	4.4
185.11763	3.1
191.05553	2.7
215.12981	4.6
220.78006	1.0
248.73157	1.1
254.16489	1.0
257.13989	2.2
275.11319	2.5
281.09448	1.1
293.12515	11.7
305.15878	1.1
331.50079	1.1
347.17062	7.6
348.17523	1.3
359.17325	6.6
362.55725	1.0
377.18207	23.4
378.18530	2.4
401.18042	1.5
419.19238	64.5
420.19617	7.5
429.28372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1778
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
55.01781	2.7
57.03334	5.4
58.00473	2.3
59.01265	76.2
59.98119	1.8
62.17609	1.8
69.40121	2.1
69.50979	8.0
69.51416	6.6
70.15263	2.0
71.01272	59.4
71.01669	3.6
72.99193	9.7
73.02830	5.7
75.00771	2.4
83.01276	6.1
83.04905	2.9
85.02847	17.6
87.00762	5.2
89.02336	56.4
89.73217	2.1
93.03370	3.9
95.01279	4.6
99.00802	3.7
101.02347	40.5
113.02367	26.7
119.03417	31.8
125.02403	3.4
135.04410	2.1
137.02432	2.7
138.52690	1.9
143.03419	2.3
161.04443	9.6
167.03410	2.4
173.04541	8.2
175.11244	11.6
179.05574	5.4
191.05562	11.0
193.12318	6.4
211.13524	2.7
218.12270	1.9
237.11337	2.1
354.09235	4.6
417.17783	100.0
418.18024	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	417.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00655	12.6
50.49892	11.3
51.31014	11.9
59.01267	100.0
60.11921	10.9
60.67371	12.4
61.98713	34.8
69.69901	76.6
71.01288	11.4
75.00788	16.5
75.12802	12.2
115.15111	12.7
125.99274	10.2
151.70871	14.7
230.03979	14.1
255.23381	12.6
284.67661	12.9
297.60474	16.3
314.97910	12.9
357.15475	18.5
417.25821	19.3
417.30487	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.0
60.99179	1.6
61.98710	0.7
66.90591	0.4
69.86775	1.2
69.87183	1.1
215.83510	0.4
351.27029	0.8
353.28516	9.4
354.28802	1.6
369.28070	1.3
371.29691	3.3
373.30811	0.5
399.29065	4.5
400.29709	0.7
417.30191	100.0
418.30551	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	417.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01601	1.1
61.98734	0.4
70.90987	0.3
70.91313	0.2
71.01283	0.4
75.00790	0.2
85.02837	0.2
87.00812	0.2
98.21717	0.2
121.02882	0.3
135.04469	0.2
154.16171	0.1
161.04581	0.2
166.96387	0.1
173.04541	0.2
175.04030	0.5
179.07062	0.2
190.06358	0.5
205.08757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3019
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
59.01256	2.2
60.99189	1.8
64.24670	0.3
70.01240	1.2
98.19911	0.3
107.59379	0.3
109.94936	0.3
130.04839	0.2
289.63739	0.3
303.12814	0.3
351.27115	0.3
353.24197	0.6
353.28537	10.5
354.29031	1.5
367.26379	0.6
369.27997	1.2
371.29684	2.5
372.29700	0.3
373.31064	0.6
378.61734	0.3
399.28992	4.3
400.29449	1.0
415.28500	0.4
417.30191	100.0
418.30536	16.4
418.36279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03332	2.9
59.01265	14.9
60.99169	0.8
65.03870	0.7
67.01788	5.0
69.03343	2.4
69.86146	1.5
69.86558	2.3
69.90036	0.6
71.01270	11.4
72.99209	3.4
73.02821	1.4
75.00762	2.9
81.03310	1.5
83.01283	1.0
83.04907	1.8
85.02842	8.8
87.00771	5.2
89.02339	4.6
93.03355	32.3
94.03682	1.7
95.01285	3.0
95.04923	2.2
96.95917	0.8
97.02856	2.0
99.00766	0.9
99.04421	1.2
101.02342	4.8
107.04922	0.7
108.02097	2.5
109.02888	4.5
111.00788	2.1
111.04428	6.1
113.02374	3.2
118.97966	0.7
119.03438	1.6
120.02086	1.1
121.02879	8.9
122.03665	1.0
123.00803	3.1
123.04440	5.0
125.02335	0.7
127.03940	1.1
131.40691	0.9
133.02762	0.9
133.70032	0.6
134.03677	3.1
135.04471	1.2
136.01576	0.8
136.05347	0.7
137.02377	11.4
137.06021	1.7
138.03133	2.1
139.03958	2.0
139.07564	1.4
145.85463	0.6
148.01596	9.8
149.02391	12.1
149.06081	1.0
150.03140	1.3
151.00281	0.8
151.03932	2.1
153.01797	1.0
153.05530	7.2
154.02751	0.9
155.03441	5.0
157.05040	1.0
161.04514	1.1
163.03966	9.8
165.01892	1.2
165.05554	1.3
166.02666	8.4
167.03407	2.6
167.07112	0.8
171.02885	0.9
173.04510	100.0
174.04871	5.2
179.03368	1.0
179.05630	1.4
181.05023	8.2
181.08707	2.7
182.05779	1.0
191.05592	35.7
192.00714	0.7
192.05974	1.4
192.66808	0.7
193.05016	4.2
208.03783	1.6
209.04570	1.0
219.10316	0.7
225.03960	1.1
237.11360	1.7
243.05086	0.8
357.15527	0.9
366.08939	0.7
367.10306	8.0
368.10577	1.1
384.10669	1.3
417.09833	0.8
417.17761	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	417.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.0
58.00471	1.5
59.01262	100.0
67.01749	1.2
69.03343	1.3
69.48861	2.0
69.49268	5.5
71.01270	32.4
72.99173	1.8
73.02848	6.2
74.56454	0.9
75.00737	2.1
83.01252	3.1
85.02844	9.8
87.00741	2.2
87.93719	1.0
89.02331	31.8
93.03347	3.6
95.01272	2.4
96.03835	0.9
99.00777	2.3
101.01701	1.7
101.02335	20.4
113.02352	14.9
117.40073	0.9
119.03411	14.1
123.04414	1.5
131.03413	2.2
135.04462	1.7
137.02426	1.1
142.99873	0.9
143.03407	5.2
149.04512	1.4
159.02943	2.1
161.04506	25.2
166.05000	2.8
173.04543	8.3
175.11157	1.5
177.09074	4.6
179.05585	7.3
191.05550	3.3
193.12282	3.3
195.10240	2.5
237.11325	6.8
357.15564	33.6
358.15878	4.3
417.12674	1.4
417.17661	14.4
417.26495	1.4
418.18002	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	415.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.7
60.35019	0.6
62.22273	0.6
68.28978	0.5
70.78539	0.7
71.01264	0.9
71.23763	1.4
73.65257	0.6
74.98997	5.8
77.00555	80.4
78.00897	1.1
85.39113	0.6
95.09153	0.6
99.04430	1.4
109.93475	0.7
120.75079	0.7
147.08081	2.2
149.09645	1.7
161.09680	0.8
163.11330	1.4
171.80602	0.8
187.11224	2.4
201.05382	0.7
260.30280	0.7
265.12436	0.8
279.14178	1.2
280.14783	1.2
309.22369	2.3
321.18777	0.9
337.21811	100.0
338.22086	15.1
338.25827	1.2
415.11252	0.7
415.23230	19.8
416.23389	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	415.2863
Annotation	6alpha-Testosterone Enanthate
Peak:m/z	Relative Intensity
54.57118	0.5
54.59268	0.5
56.37972	0.5
59.01266	3.2
60.99177	1.6
76.86922	0.6
94.43652	0.5
98.19757	1.1
99.04398	1.4
101.12391	0.5
110.86570	0.6
136.00650	0.5
188.76881	0.5
229.80882	0.4
353.28528	11.3
354.28976	1.1
361.13516	0.8
369.28168	3.1
371.29587	0.9
397.10086	1.3
397.27502	4.8
415.28632	100.0
416.28961	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	415.1621
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01769	0.5
56.99696	0.2
57.03334	0.7
58.00475	3.2
59.01265	69.2
60.01605	0.9
69.03337	1.1
69.63969	1.7
71.01270	57.3
72.01617	1.2
72.99198	3.1
73.02838	18.0
74.03178	0.4
75.00758	0.5
83.01268	1.4
83.60342	0.2
85.02841	5.9
87.00780	1.3
89.02339	100.0
90.02677	1.7
90.18282	0.2
93.03372	0.6
95.01292	1.1
96.95924	0.3
97.02862	1.5
98.20526	0.5
99.00782	31.6
99.04444	0.6
100.01151	0.8
101.02346	35.9
102.02699	0.7
109.02882	1.5
113.02357	10.3
114.02716	0.3
115.03922	0.6
119.03422	7.7
125.02360	4.1
131.03429	17.1
132.03729	0.5
143.03412	2.0
149.04498	58.0
150.04828	1.9
161.04477	3.0
173.04510	0.8
179.05589	2.7
191.05588	14.6
192.05927	0.6
221.06700	2.7
233.06664	0.6
251.07748	3.9
269.09378	0.2
275.07770	0.3
281.08789	0.3
293.08807	0.8
311.09756	0.6
320.09265	0.2
393.45111	0.3
415.16193	10.3
416.16290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43416	0.2
54.32943	0.2
56.10490	0.2
57.03339	0.9
59.01265	100.0
60.01608	1.3
61.98716	1.4
69.03353	0.7
71.01273	3.4
71.54218	0.3
73.02827	1.3
75.00761	0.2
83.01281	0.5
83.83807	0.2
85.02848	1.1
87.00816	0.3
89.02328	1.6
93.03368	0.7
95.01289	0.3
99.00755	0.4
99.04438	0.5
101.02348	2.0
101.05987	0.3
109.02914	0.3
113.02350	1.5
119.03457	0.4
122.03655	3.5
125.02383	0.5
135.04533	0.3
137.02380	0.3
143.03404	0.3
161.04550	0.9
165.05586	0.4
173.04555	0.9
173.09683	0.3
179.05577	0.3
185.00795	0.4
191.10710	1.1
233.11891	0.7
254.87369	0.2
360.17862	0.2
369.15884	0.3
413.22021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51972	0.5
59.01265	87.8
60.01588	0.8
69.03313	0.6
70.04074	0.6
70.32816	1.9
99.04452	0.5
108.02081	1.3
109.02875	2.1
115.83900	0.5
121.02893	3.7
122.03652	0.9
123.04442	1.7
131.04919	0.6
134.03677	4.5
135.04434	3.3
145.02893	1.8
146.03621	0.7
147.04428	1.5
148.05223	0.7
149.06027	7.6
150.06297	0.6
157.06519	0.8
158.03688	1.6
159.04469	23.7
160.05255	15.8
161.02524	0.7
161.06039	8.6
162.03169	5.2
162.06596	0.5
163.03970	2.3
172.05194	0.6
173.06084	1.8
175.07617	18.9
176.04741	6.3
176.07996	1.0
177.05518	5.4
178.06047	0.6
179.07144	1.4
185.06067	15.2
186.06848	71.5
187.03961	1.7
187.07222	5.3
191.07124	9.2
193.08704	1.3
193.64734	0.6
199.07642	0.7
201.05573	20.5
201.09203	100.0
202.06363	14.5
202.09492	7.4
203.07120	5.2
217.08701	21.2
218.09026	1.7
219.10313	1.6
307.09882	1.4
311.13019	1.2
312.13425	0.6
322.12115	2.9
337.14526	18.3
338.14850	1.8
355.15668	5.6
363.07111	0.6
382.14175	1.7
397.16678	13.1
398.16980	1.6
400.15302	0.6
415.17728	38.4
416.18118	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	415.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01264	37.3
69.03316	1.7
71.01265	11.1
71.57892	1.8
72.99169	2.5
73.02822	4.2
81.03323	1.6
83.01262	1.8
85.02850	10.4
87.00750	4.3
89.02309	2.3
90.16968	1.2
93.03362	2.5
95.01261	4.1
99.00733	1.4
101.02341	4.2
101.61073	1.0
108.02076	73.4
109.02865	46.5
110.03169	1.5
113.02338	2.8
119.03313	1.5
121.02868	1.2
123.00780	3.1
125.86728	1.1
135.04411	1.6
151.03943	1.9
152.01086	76.4
153.01888	25.4
154.02151	1.1
156.63391	1.1
161.04489	2.7
163.03877	1.6
165.01862	1.4
173.04471	4.2
179.05493	1.4
179.07063	2.9
191.05553	1.9
281.08981	1.0
298.96683	1.1
315.07205	6.5
316.07745	1.4
344.60538	1.1
357.08347	11.8
397.11255	4.0
415.12457	100.0
416.12781	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	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63184	0.4
59.01264	100.0
60.01611	0.9
70.73992	0.8
70.74364	0.6
431.31857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03751	0.2
52.88467	0.2
54.17366	0.2
54.80634	0.2
59.01265	100.0
59.50562	0.2
60.01589	1.1
62.31168	0.2
70.34721	0.4
70.35094	0.5
70.74404	0.2
84.23216	0.2
114.67590	0.2
131.65131	0.2
215.11719	0.2
279.23328	0.3
355.48230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90559	0.1
55.01762	0.8
57.03091	0.2
57.03325	0.8
58.00483	0.2
59.01265	100.0
60.01603	1.2
68.99672	0.1
69.03331	0.4
70.93349	0.4
71.01270	8.9
72.99203	0.2
73.02834	2.6
75.00770	0.2
75.13322	0.2
83.01276	1.9
85.02842	4.9
87.00800	0.3
89.02324	1.7
93.03396	0.2
95.01286	0.9
97.02882	0.5
99.00780	1.0
101.02344	6.6
101.03012	0.3
102.02684	0.2
113.02359	3.9
116.07777	0.1
119.03449	0.5
123.08082	0.3
125.02414	0.3
137.09572	0.2
143.03442	0.4
152.05289	0.2
159.02965	0.7
161.04491	3.4
173.04517	0.3
179.05592	0.2
209.15431	2.1
278.71863	0.2
353.19800	2.4
354.20151	0.2
371.20816	11.7
372.21121	1.2
413.14697	0.2
413.21851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.0
59.01266	100.0
60.01600	1.2
61.98725	3.3
64.44218	0.3
65.40536	0.3
69.03338	1.1
71.01275	3.2
71.56440	0.4
71.56827	0.2
73.02827	0.5
83.01324	0.3
85.02876	1.1
87.00792	0.5
89.02343	1.8
89.15372	0.2
93.03358	0.5
95.01300	0.3
97.02870	0.8
99.00757	0.4
99.04439	1.2
101.02348	1.7
101.06001	1.1
107.04964	0.5
108.02111	0.3
109.02867	0.3
113.02374	1.2
119.03414	0.6
121.02902	0.6
122.03654	9.9
123.04453	0.6
125.02384	0.5
135.04482	0.5
137.02388	0.4
141.01836	0.9
143.03481	0.3
147.04468	0.3
149.06059	0.4
161.04559	0.7
165.05556	1.2
166.34671	0.3
166.41345	0.3
173.04573	1.2
179.03523	0.4
179.05637	0.3
185.00931	0.9
194.26312	0.3
227.12930	0.7
348.65524	0.3
369.15738	1.0
413.14255	0.7
424.92267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1613
Annotation	Vermixocin B
Peak:m/z	Relative Intensity
59.01264	58.4
60.01583	1.0
61.98726	0.5
69.24894	1.6
69.25317	4.0
71.65349	0.5
89.02312	0.6
93.03345	1.5
105.03391	0.7
108.02107	1.3
109.02843	1.5
117.03366	3.1
121.02857	6.4
122.03613	1.1
123.04433	1.4
132.02089	2.6
133.02884	4.3
133.06517	0.8
134.03680	8.0
134.25157	0.5
135.04471	3.7
137.02354	3.2
139.03862	0.7
145.02879	2.7
147.04463	1.5
148.05222	1.9
149.02426	1.0
149.06006	2.6
150.03171	1.4
152.76784	0.5
158.03645	1.5
159.04457	2.0
160.01595	13.7
160.05212	1.4
161.02388	27.6
161.06030	10.8
162.03174	4.3
162.06813	6.4
173.06041	6.5
174.03166	0.8
174.06735	1.9
175.03955	21.1
175.07608	2.3
176.04704	4.4
177.01859	0.7
177.05551	0.8
177.09167	5.9
179.07079	0.6
187.03940	2.8
188.04761	0.7
191.07086	5.0
194.02200	5.8
200.04723	0.9
201.05554	17.1
202.06323	70.6
203.06679	6.1
215.07117	1.4
216.07823	0.5
217.08687	69.4
218.09027	5.3
231.10271	0.7
281.08063	0.6
296.10498	0.8
311.12955	1.1
338.11594	5.6
339.11630	0.5
353.13998	53.5
354.14209	6.2
371.15131	2.1
398.13763	2.2
399.14566	0.6
413.16116	100.0
414.16452	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	413.2202
Annotation	Tentoxin
Peak:m/z	Relative Intensity
59.01260	6.8
61.98710	2.8
71.01278	3.5
79.82619	0.9
82.02876	1.8
83.02413	0.9
83.30930	0.6
84.04448	2.5
84.74877	0.9
85.02830	1.3
85.03965	2.7
87.05551	0.8
89.02349	1.6
91.05443	1.7
96.03182	1.2
101.02340	1.2
101.07112	2.1
102.05529	5.3
103.05054	0.7
105.01839	1.3
110.02395	2.1
111.05573	2.3
111.15734	0.7
112.02670	1.0
113.02358	0.9
113.03484	8.9
114.03929	0.7
116.04989	3.4
117.03342	0.9
123.05576	3.2
124.02673	1.2
127.05061	2.1
128.04994	1.9
132.08138	1.6
141.06630	100.0
142.06927	2.7
147.17914	0.8
153.10309	4.6
154.06186	2.9
158.06081	1.3
167.04544	4.6
169.09779	1.4
175.08777	0.9
180.11362	2.2
186.07973	1.7
203.08258	2.2
214.07455	20.3
215.08224	13.2
216.08559	1.0
217.09833	1.3
228.09003	0.8
243.15039	6.5
246.12515	7.7
254.15170	2.3
256.12305	1.3
259.11044	1.2
271.14578	37.7
272.14975	3.4
295.13428	2.2
296.14151	1.6
299.15027	0.9
310.15720	2.0
338.18652	1.0
339.18188	4.6
369.23083	7.0
395.21057	1.1
413.22015	46.3
414.22366	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	413.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
57.03336	0.6
58.00510	0.2
59.01263	100.0
60.01604	1.1
69.03349	0.3
69.52905	1.2
71.01266	5.7
72.01645	0.1
72.99206	0.1
73.02829	1.7
83.01268	1.0
85.02844	2.7
87.00800	0.2
89.02333	1.5
89.02732	0.1
95.01315	0.5
99.00814	0.5
101.02342	4.1
113.02351	2.2
113.03083	0.2
119.03460	0.5
137.09688	0.1
143.03462	0.3
143.72342	0.1
159.02977	0.3
161.04497	1.9
179.43649	0.1
209.15526	0.9
210.15741	0.1
319.29178	0.1
323.18753	0.2
353.19815	1.8
354.20401	0.2
371.20828	5.5
372.21295	0.5
413.22058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2033
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
55.01769	1.6
57.03337	5.8
58.00452	0.3
59.01266	7.1
61.98716	1.1
62.36147	0.3
67.01763	0.8
67.77314	0.3
68.99703	0.5
69.03342	1.8
70.93287	0.8
71.01269	14.0
71.04893	0.3
72.01601	0.4
72.98832	0.5
72.99203	5.0
73.02848	1.0
75.00764	38.2
76.01097	0.4
79.95650	0.5
83.01276	1.2
83.04919	0.7
84.02048	0.4
85.02843	23.2
86.03172	0.8
87.00774	5.3
89.02342	1.5
95.01289	2.5
96.95957	0.3
97.02875	0.7
99.00787	3.1
101.02354	0.8
103.00300	0.3
109.06495	1.3
111.00751	0.5
112.01557	1.0
113.02363	12.8
114.02679	0.4
115.00332	1.5
116.01063	2.5
117.01849	1.3
119.15762	0.3
129.01834	0.5
137.09648	0.3
157.01384	1.2
161.09668	0.4
165.12828	0.4
175.02434	1.0
179.10754	0.7
185.00885	1.0
202.06183	0.5
217.15996	1.1
218.11687	0.3
231.10071	0.6
234.66722	0.3
235.17072	1.0
282.26825	0.3
289.18353	0.5
293.17636	2.2
393.19296	1.1
411.20349	100.0
412.20688	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	411.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.2
59.01264	19.4
61.98699	3.6
65.61183	1.2
69.23722	9.4
69.24158	5.1
71.01272	6.5
75.00764	4.2
80.91576	4.5
83.04938	1.6
85.02837	4.4
89.02325	2.2
95.04930	1.4
96.95879	2.8
99.08060	6.0
99.92467	2.0
101.02335	2.9
120.49531	1.3
125.09660	1.7
127.11198	1.3
133.80891	1.2
139.04070	1.3
139.11223	5.7
141.26859	1.2
153.12738	2.0
155.10756	1.4
163.11230	3.2
165.12804	23.2
166.13181	1.5
167.14272	1.7
171.10205	10.4
173.04469	2.4
175.03972	2.1
183.13869	4.2
193.08420	22.7
193.12288	2.2
202.06158	2.1
203.10484	1.6
205.12059	4.0
209.07877	1.5
209.11885	2.2
211.13385	24.3
215.10541	1.8
219.10129	2.7
221.11572	7.4
221.63528	1.3
223.11801	1.9
226.99982	1.4
229.14485	14.1
231.10049	13.6
233.11618	100.0
234.11949	7.1
249.11337	13.2
251.11487	24.5
251.12575	23.7
252.11584	4.0
329.23376	59.6
330.23672	5.2
351.21594	97.6
352.21866	10.2
395.20691	1.7
411.21112	10.1
412.21411	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70900	0.2
59.01266	100.0
60.01601	1.3
61.98724	1.2
66.41664	0.2
69.03350	0.6
70.58904	0.8
70.92322	0.2
71.01263	2.3
71.01556	0.2
71.39577	0.2
72.03209	0.2
73.02865	0.5
75.19413	0.2
85.02856	1.1
89.02328	1.2
95.01282	0.3
97.73570	0.2
99.04440	0.2
101.02347	1.1
113.02380	1.0
119.03407	0.3
129.97856	0.2
153.01968	0.3
156.55956	0.2
161.04538	0.5
179.05595	0.3
181.40169	0.2
193.67168	0.3
371.20844	0.9
413.22134	0.3
429.58905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03335	2.0
58.00487	0.9
59.01263	100.0
60.01601	1.4
65.22073	0.3
67.01773	0.3
69.03342	0.8
69.18241	0.3
70.87085	0.8
71.01267	23.3
72.01632	0.4
72.99191	1.3
73.02833	16.2
74.03156	0.3
74.32498	0.2
75.00764	0.6
78.95789	2.5
81.03355	0.6
83.01273	5.4
83.04935	0.4
85.02839	5.0
87.00780	1.2
89.02336	12.4
90.02703	0.3
95.01294	1.5
96.95927	0.8
96.96866	0.3
97.02857	0.7
97.06509	0.4
99.00799	0.6
99.04420	0.5
101.02344	18.0
102.02699	0.5
111.01904	1.7
111.04507	0.3
113.02352	11.8
119.03411	4.5
121.06519	0.8
123.04372	0.3
125.02314	0.4
131.03418	1.9
134.03665	4.6
135.04501	0.4
137.09636	8.2
137.10606	0.4
140.27237	0.3
143.03419	1.9
149.04495	1.7
149.10876	0.3
150.03058	0.4
151.03943	0.9
155.03481	0.6
158.92526	0.6
161.04509	4.3
162.02299	0.5
173.04515	0.8
179.05569	3.9
189.12842	1.4
191.05626	0.5
203.05638	0.3
220.67479	0.3
231.10344	0.4
231.96785	0.3
313.09473	0.6
314.09970	1.4
322.19489	0.3
363.40234	0.3
411.16119	0.6
411.20963	1.2
411.26971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39035	0.4
59.01267	100.0
60.01606	0.8
70.45807	1.1
70.46178	1.0
85.44498	0.5
152.99551	0.6
183.43921	0.4
225.71111	0.5
236.59956	0.4
421.43216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
56.79834	0.6
57.03337	100.0
58.03671	2.0
59.01264	85.4
60.01609	1.2
61.57650	0.5
61.98726	0.7
69.03347	0.7
69.58749	3.8
71.01269	17.0
72.99196	0.9
73.02832	4.8
81.03358	1.9
83.01279	4.2
85.02837	10.5
87.00776	1.3
89.02354	1.0
93.03341	0.5
95.01287	1.5
97.02882	0.8
98.20646	0.8
99.00788	2.2
99.04417	84.3
100.04769	2.3
101.02345	31.5
107.04981	0.8
113.02354	7.1
125.02367	25.8
126.02684	0.9
143.03423	2.9
159.02919	1.6
161.04506	8.3
185.00949	0.8
194.84384	0.6
201.17104	0.6
204.05331	0.5
204.27609	0.6
269.10370	27.6
270.10681	1.6
311.11414	3.3
344.78690	0.7
351.14511	1.6
413.14548	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	411.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83031	0.7
59.01266	100.0
60.01596	0.7
65.08781	0.6
71.35885	0.9
71.36251	1.6
82.91556	0.6
91.68835	0.7
108.67265	0.6
122.32471	0.8
128.14607	0.7
136.07239	0.6
145.81969	0.6
189.64259	0.6
214.88510	0.7
432.04883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.4
55.51426	0.9
57.03329	1.2
57.29703	1.1
58.00480	4.8
59.01263	100.0
60.01611	1.6
60.47965	1.2
61.98712	1.4
62.04158	0.9
69.03347	6.4
71.01270	65.6
71.59874	0.9
72.99193	4.3
73.02848	1.8
83.01259	2.9
85.02844	12.0
87.00764	6.7
89.02339	86.8
90.02646	2.1
93.03352	1.2
95.01268	4.3
97.02887	1.1
97.06487	3.6
99.00768	4.0
101.02345	36.7
112.85078	1.2
113.02353	28.7
119.03414	37.6
123.04394	2.3
131.03409	3.4
133.02846	1.9
134.03665	86.6
135.04251	4.4
143.03432	8.1
149.04492	2.0
150.03108	2.3
151.03944	11.2
153.05437	1.2
160.01520	2.4
161.04520	13.4
161.13193	1.5
173.04471	2.9
175.03961	3.1
178.04744	1.1
179.05568	62.0
180.05901	1.9
185.00874	3.4
187.11188	1.0
191.05560	3.0
193.05103	1.5
205.12244	2.0
231.10248	4.7
249.11305	2.4
313.09457	7.1
313.12469	1.4
314.10156	38.5
315.10602	4.3
353.14044	1.0
411.16397	9.1
430.44498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92448	0.9
53.44223	1.0
57.03340	2.3
57.11951	0.9
57.90709	0.9
58.00481	4.5
59.01267	100.0
61.98706	1.0
69.03342	2.3
71.01273	63.0
71.29730	2.3
72.99194	4.5
73.02831	2.7
81.87517	1.0
83.01285	2.2
85.02854	10.0
87.00780	7.3
89.02341	89.0
90.02690	2.2
93.03333	1.7
95.01291	3.2
97.02892	1.2
97.06483	3.9
99.00785	2.6
101.02354	35.0
113.02362	28.7
119.03427	36.2
123.04424	2.6
131.03429	4.2
133.02850	2.0
134.03671	91.0
135.04398	5.8
143.03436	7.1
149.04510	2.8
150.03145	2.1
151.03958	11.6
153.05533	1.3
161.04500	11.9
166.30453	1.0
173.04523	4.0
173.05931	1.4
175.03885	1.2
179.05580	49.6
180.05977	1.4
185.00807	2.0
191.05624	3.6
231.10374	5.1
313.09390	8.0
314.10144	31.5
315.10651	4.1
411.16415	8.1
412.16858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03326	2.1
58.00491	1.2
59.01266	100.0
60.01600	0.8
69.03335	2.5
70.06341	0.3
71.01271	31.1
72.01611	0.5
72.99199	1.9
73.02837	22.6
74.03162	0.4
75.00773	0.6
78.95807	2.0
81.03355	0.7
83.01279	6.2
85.02854	5.7
87.00786	1.5
89.02340	15.3
92.34716	0.3
93.03372	0.6
95.01304	1.1
96.95892	0.7
97.02855	1.8
97.06503	0.7
99.00780	1.1
101.02348	25.8
102.02698	0.5
109.02872	0.5
111.01923	1.4
111.04431	0.4
113.02360	13.4
119.03413	6.0
121.06538	1.0
125.02390	1.2
129.10081	0.4
131.03416	2.1
134.03670	6.2
135.04356	0.5
137.09654	7.7
141.01880	2.6
143.03442	2.4
149.04492	1.6
151.03970	1.5
155.03453	0.5
156.89458	0.3
158.92528	0.3
160.01555	0.3
161.04526	3.9
173.04561	1.1
174.14052	0.4
179.05586	7.1
185.00951	0.8
189.12813	1.6
191.05623	0.4
203.01517	0.3
220.16016	0.4
221.06697	0.4
225.15018	1.6
231.10271	0.7
232.46921	0.4
313.09433	0.8
314.10040	2.6
411.16638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03335	1.9
58.00476	0.5
59.01267	100.0
60.01610	1.2
62.94802	0.3
66.20210	0.3
69.03374	0.7
69.58567	0.3
70.33652	1.0
71.01273	17.7
72.01611	0.4
72.99224	0.6
73.02840	18.2
74.03194	0.6
78.95815	0.9
83.01282	4.4
84.58488	0.3
85.02850	4.3
87.00788	0.6
89.02340	7.3
95.01321	1.2
97.02846	0.4
101.02351	16.9
102.02703	0.4
111.01917	0.7
113.02361	9.1
114.02711	0.4
119.03423	2.4
121.06503	0.5
125.02406	0.6
131.03459	1.2
134.03659	0.8
136.35619	0.3
137.09648	7.6
143.03461	1.1
149.04575	0.6
158.92435	0.4
161.04500	2.7
179.05606	1.2
182.67300	0.3
189.12852	1.2
227.10399	0.3
264.89655	0.3
316.49133	0.3
317.55728	0.4
330.85004	0.3
336.05612	0.4
383.65732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1669
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.01759	0.7
57.03337	0.6
58.00484	2.5
58.43549	0.2
59.01264	42.9
60.01600	0.5
61.92001	0.2
61.98699	0.4
69.03345	3.1
69.44741	2.2
71.01268	26.7
72.01617	0.6
72.99192	2.7
73.02846	1.2
74.10694	0.3
83.01274	1.8
85.02840	6.0
86.97456	0.2
87.00780	1.2
89.02337	22.0
90.02673	0.6
90.67365	0.2
93.03371	0.4
93.04273	0.3
95.01286	2.3
95.82631	0.2
97.02845	0.7
97.06506	0.4
99.00763	1.6
101.02345	17.3
102.02698	0.3
102.93077	0.3
113.02349	8.6
114.02690	0.5
119.03410	7.5
123.04379	0.3
130.04199	0.4
131.03403	0.7
133.02878	0.9
134.03658	0.9
135.04440	0.3
141.01886	0.3
143.03447	1.2
146.03658	1.3
147.04434	1.1
149.04556	0.5
158.03647	0.7
159.04439	2.8
159.08084	0.5
161.04480	0.7
161.05840	0.3
172.05304	1.7
173.04512	1.1
173.06033	5.4
173.76505	0.3
174.03241	0.5
174.04721	0.3
174.06804	0.5
175.03896	0.5
175.07626	0.7
179.03412	0.3
179.05585	0.9
185.00897	2.0
187.04048	3.2
187.07605	22.0
188.04495	0.3
188.07964	2.1
190.06306	0.4
191.05553	0.5
201.05522	6.0
201.09163	0.7
202.06325	33.6
203.06737	2.5
203.10709	0.9
204.04176	0.5
204.07869	0.5
213.09180	1.4
216.07872	2.4
219.10266	0.5
231.10271	43.9
232.10582	3.5
249.11316	0.9
252.67735	0.3
381.61325	0.3
382.12714	0.8
411.16675	100.0
412.17029	11.6
412.21506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1672
Annotation	Pteroside S
Peak:m/z	Relative Intensity
55.01777	0.8
57.03337	2.1
58.00493	2.4
59.01266	73.0
60.01617	0.9
61.98712	1.3
69.03348	1.2
69.25433	4.8
71.01271	35.2
72.99207	2.8
73.02843	2.1
75.00748	0.5
78.95792	0.8
83.01284	2.7
85.02847	7.7
86.13682	0.4
87.00775	2.2
89.02338	29.6
90.02676	0.9
90.04572	0.5
93.03374	1.7
95.01312	2.3
96.13766	0.4
96.95908	0.7
97.02868	0.5
97.06473	0.7
99.00793	1.3
101.02349	20.3
102.02712	0.5
111.01955	0.9
113.02357	11.2
113.37614	0.4
114.02754	0.4
119.03417	10.3
123.04447	0.4
125.02383	0.6
131.03436	0.5
134.03665	3.7
135.04462	1.1
143.03432	1.0
148.05260	1.2
149.04521	0.6
151.03918	1.1
159.04501	0.4
160.01698	0.5
161.04506	3.3
163.11244	1.0
173.04587	4.0
173.05933	0.7
174.05086	0.5
174.06837	1.2
175.09782	3.1
176.04907	0.5
179.05595	4.1
187.03935	0.5
188.04808	1.4
191.05632	1.5
191.10773	1.1
202.06377	0.8
203.10771	14.3
204.11084	1.1
207.10243	0.9
213.09282	0.8
223.13417	0.8
231.10289	10.6
232.10596	0.7
291.14682	2.2
304.40689	0.4
313.09473	0.5
314.10114	0.8
319.13971	1.5
369.15427	0.6
383.17227	5.2
411.16675	100.0
412.17056	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	409.2369
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
56.83700	0.2
58.46094	0.2
62.30804	0.2
62.96297	0.3
64.47537	0.2
65.16270	0.2
70.31925	0.8
78.95795	68.0
82.34729	0.2
90.73012	0.2
94.31013	0.1
96.96870	5.1
96.97503	0.3
112.49377	0.2
146.79137	0.2
150.97934	1.7
151.96851	0.2
152.99529	100.0
153.99852	1.9
171.00613	3.0
171.01941	0.3
218.86703	0.2
255.23297	1.9
409.23703	18.0
410.24063	2.7
432.08691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89584	0.7
59.01267	4.1
61.98719	100.0
64.88659	0.6
71.01288	0.6
71.24910	1.2
71.25260	1.3
75.00774	1.9
75.24161	0.7
78.95798	0.9
93.12034	0.6
94.04732	0.6
96.95898	0.9
127.54244	0.7
130.41635	0.6
135.02942	2.3
169.80852	0.6
271.59048	0.7
293.21295	4.0
312.07779	1.5
315.88358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52551	0.6
51.05075	0.5
55.01773	0.7
57.00684	0.6
57.03325	0.7
58.00470	0.9
59.01265	100.0
60.01610	1.2
60.75653	0.6
61.98711	0.7
63.66263	0.6
67.01776	0.7
69.03345	1.4
69.48145	5.6
71.01270	16.0
72.99213	1.5
73.02838	1.6
75.00771	1.0
81.03380	0.7
83.01277	0.8
83.04897	0.9
85.02838	5.0
87.00784	2.1
89.02334	19.5
93.03370	3.3
95.01310	2.7
96.95924	1.4
97.02862	1.0
97.15207	0.6
99.00772	0.9
99.04464	1.5
101.02338	8.8
106.23657	0.7
111.00723	0.9
111.04446	1.0
113.02351	6.8
119.03415	7.5
121.02839	0.6
131.03439	1.6
134.03653	0.7
135.04483	2.3
137.02408	2.0
139.00291	1.5
141.01959	0.9
143.03433	2.1
155.03400	0.8
157.41951	0.7
161.04494	4.9
173.04538	10.1
173.06009	1.4
179.03586	1.1
179.05563	8.3
180.05984	0.7
187.07611	0.8
191.05623	4.5
191.07028	1.1
229.08902	1.3
235.06160	1.2
349.18723	11.3
350.18915	1.4
409.16388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02789	0.4
55.01768	3.5
57.03342	0.5
57.16985	0.4
59.01270	5.5
60.25611	0.4
61.98710	1.1
64.57344	0.4
64.70520	0.4
67.01781	1.0
68.83662	0.4
69.03342	100.0
70.03680	1.8
70.45998	1.1
70.46398	0.8
71.01263	2.2
72.99200	2.6
73.02843	0.6
75.00735	0.9
75.90737	0.4
76.33228	0.4
79.01799	1.6
83.01264	0.6
85.02859	2.1
90.90675	0.5
93.03355	0.7
95.01295	2.6
96.95905	0.6
97.02848	19.8
98.03216	0.5
99.00779	24.2
101.02334	0.9
111.63303	0.4
113.02353	1.7
123.00832	1.3
134.28395	0.5
141.01886	5.8
173.04512	1.2
185.00893	63.3
186.01256	2.3
225.15005	2.6
231.10066	0.5
231.32208	0.5
411.16418	11.3
412.17096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20265	1.8
57.03338	2.9
57.22358	2.1
59.01271	34.2
69.03359	4.8
71.01270	12.6
73.02846	2.0
73.40401	1.8
76.70869	1.9
78.95787	3.0
79.95628	6.7
80.91567	16.7
83.04898	3.4
85.02834	10.8
87.00763	2.9
89.02337	10.1
93.03339	3.9
95.01337	2.5
95.04897	2.2
96.95911	18.2
97.02879	5.3
97.06467	3.8
101.02346	8.4
113.02390	5.1
119.03432	4.8
122.35715	1.8
127.11179	2.9
152.99519	2.7
163.11203	2.5
165.12793	18.9
171.10228	19.5
173.06119	2.2
174.03172	2.4
174.06821	2.6
185.11844	2.2
187.03957	14.4
187.07607	4.1
193.08446	13.5
193.12238	4.3
200.04834	4.0
201.05571	7.1
201.09071	4.5
202.06343	23.6
205.12125	4.3
207.10031	16.7
209.11992	2.9
211.13359	17.0
212.13692	3.3
219.09949	5.9
221.11578	11.0
223.11914	2.1
229.08640	16.0
229.14511	10.6
229.20114	2.2
230.09491	12.8
231.10098	11.1
233.11623	84.6
234.11929	7.4
243.10054	3.0
248.10336	3.8
249.11047	7.7
251.11510	31.3
252.11429	5.3
261.11160	22.0
295.79755	2.4
313.17798	5.4
327.21771	43.6
328.22348	5.6
331.18881	8.7
349.19989	100.0
350.20493	11.8
409.14401	7.1
409.19501	12.8
409.23602	8.7
410.15195	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	408.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57286	0.3
55.52748	0.4
59.01261	1.6
61.98716	100.0
70.09969	0.4
71.01243	0.4
71.03617	0.4
77.28097	0.4
78.30273	0.4
78.95807	3.2
88.71544	0.4
89.02359	0.5
90.49863	0.3
97.31698	0.4
98.19815	1.3
130.98311	0.4
152.99547	0.5
153.59108	0.4
161.71608	0.4
163.96701	0.4
179.96877	0.4
184.73915	0.4
198.13254	0.4
408.29114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	16.7
58.87957	2.5
59.01265	100.0
61.98706	2.5
69.34850	18.5
69.35261	5.2
71.01269	33.7
71.50912	2.2
73.02856	4.5
75.00764	6.7
83.01273	4.9
85.02838	9.3
87.00760	3.0
89.02335	21.9
95.01300	2.7
98.20499	5.4
99.04446	16.3
101.02335	23.7
113.02335	17.3
119.03402	10.8
125.02371	6.0
125.09106	2.6
135.04460	3.2
143.03493	2.5
159.02855	3.5
161.04485	21.0
173.04459	7.7
187.13336	7.8
191.05505	4.0
224.09697	3.0
265.12799	4.4
349.18747	75.5
350.18967	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.5
59.01263	100.0
60.01604	1.5
61.01684	0.4
61.98711	0.5
62.46082	0.3
65.40742	0.3
67.01781	0.7
69.03355	0.6
71.01264	5.2
71.08729	0.6
72.99210	0.6
73.02835	2.8
75.00798	0.4
77.56137	0.3
81.03373	0.3
83.01294	1.1
83.04945	0.5
85.02843	2.5
87.00783	1.2
89.02328	4.3
91.75990	0.3
93.03358	5.3
95.01284	0.6
97.02869	0.5
97.06503	0.7
99.00799	0.7
101.02340	3.3
109.02909	0.7
111.00788	0.4
111.04445	1.1
113.02353	3.1
117.03379	0.8
119.03428	1.3
125.57013	0.3
129.01933	0.4
134.03700	0.6
135.04454	3.9
136.04861	0.4
137.02399	1.0
141.01921	0.4
143.03394	0.6
145.02927	2.4
147.04343	0.5
155.03468	1.1
159.04442	0.4
161.04585	1.0
161.13347	0.8
171.10280	0.7
173.04512	13.4
173.10838	0.4
174.04881	0.9
177.02005	0.4
179.03403	1.9
179.05626	1.4
185.00963	0.6
187.07686	0.5
191.05579	7.2
191.07146	0.6
200.04837	0.7
203.14417	0.4
204.06133	0.4
204.07883	0.6
205.08766	0.7
229.08649	1.6
255.06537	0.5
258.37863	0.3
265.05579	0.4
267.06708	0.4
274.36172	0.4
307.17804	0.9
317.29892	0.3
349.18799	0.9
353.09003	0.6
409.14160	1.6
409.19116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	94.6
58.03675	3.4
59.01265	100.0
70.45375	4.5
71.01276	21.9
73.02852	12.7
75.87633	1.7
79.48907	2.0
83.01283	4.6
85.02859	8.3
89.02341	11.8
99.04420	78.6
100.04778	4.0
101.02347	36.0
101.05980	2.9
113.02372	10.3
113.05997	2.8
119.03443	4.5
123.04436	3.7
125.02376	24.8
133.02826	1.7
135.04465	7.3
143.03488	3.8
161.02420	4.8
161.04524	5.2
163.04018	2.6
172.04042	2.0
173.04514	4.1
179.05629	2.2
188.08350	2.0
190.04948	2.3
191.05574	4.8
216.03046	1.9
234.04070	2.2
245.00626	1.9
263.11420	4.4
284.09540	1.8
305.12552	5.2
347.17245	3.2
407.15686	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	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03338	100.0
58.03673	1.8
59.01263	79.3
62.28889	0.8
66.59845	0.8
70.19975	1.7
70.20371	1.9
71.01273	15.0
72.99196	0.8
73.02825	6.3
78.95792	23.5
81.03345	1.5
83.01279	3.4
85.02843	9.1
87.00795	1.1
89.02343	1.9
93.03369	2.4
95.01280	1.7
96.96860	1.4
99.00800	3.8
99.04417	72.4
100.04779	2.1
101.02348	35.4
102.02693	1.2
113.02342	7.0
125.02368	19.3
143.03455	1.4
159.02859	1.1
161.04472	5.2
164.25304	0.7
171.10214	1.2
173.04491	3.7
177.43796	0.8
191.05573	1.5
258.06851	0.8
259.07239	3.2
260.07816	1.0
263.15042	27.7
264.15387	1.2
291.04749	2.4
292.05142	8.2
293.04724	1.5
305.16251	2.6
319.04416	3.4
320.04727	14.5
321.04227	1.7
347.11972	0.9
407.18860	7.2
421.22595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36697	0.4
57.03355	0.5
59.01265	100.0
60.01613	1.1
61.98716	3.1
67.01777	2.4
69.03333	2.4
71.01273	6.4
71.58238	0.7
71.58607	0.8
73.02853	1.9
75.00765	0.5
78.19286	0.4
81.03352	0.6
83.01305	0.9
83.04921	0.8
85.02841	4.0
87.00777	1.5
89.02359	1.6
93.03358	12.4
93.03917	0.8
95.01293	0.6
96.95885	0.7
97.02872	1.6
97.06516	1.1
99.00780	1.2
101.02362	2.4
101.86273	0.4
109.02891	0.9
111.00811	0.8
111.04411	3.6
113.02363	2.3
117.03361	0.8
119.04951	0.7
127.03919	0.6
129.01895	0.6
133.02921	1.5
134.03690	1.0
135.04449	6.4
137.02370	3.1
138.02800	0.6
145.02852	3.2
147.04420	0.5
155.03482	2.4
161.04488	2.5
172.05228	0.9
173.04509	31.1
174.04922	2.1
176.04031	0.7
177.01967	0.5
178.02618	0.7
179.03465	6.2
185.00922	1.3
185.06146	0.7
187.13466	1.0
191.05591	11.5
192.05968	1.1
193.04857	0.5
202.06300	0.9
203.02003	1.3
211.07657	0.8
229.08667	2.8
231.10204	0.6
239.07323	0.6
242.05164	0.7
242.55386	1.3
265.05304	0.8
267.06683	1.4
267.65558	0.6
268.07437	0.9
289.16797	1.0
291.08810	1.4
300.09485	0.6
307.17682	6.6
315.70636	0.5
321.11179	0.6
331.07721	0.5
349.18738	4.5
350.18793	0.5
353.09061	1.3
409.14832	0.8
412.83661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71483	0.4
55.91809	0.4
59.01265	2.9
61.98717	100.0
63.27966	0.5
65.13930	0.4
69.84991	2.1
75.00793	0.7
78.21645	0.4
78.95789	1.2
92.51514	0.4
96.95945	0.7
96.96873	1.9
98.20622	0.8
98.70894	0.4
99.92503	0.7
101.02464	0.5
115.91992	0.9
116.92799	1.3
137.09641	0.9
152.99507	0.6
171.10205	1.2
172.10580	0.8
177.06197	0.4
227.06155	0.7
244.77431	0.5
269.07129	3.3
270.07443	3.4
310.21188	1.2
348.15976	0.5
349.18646	0.7
373.11423	0.5
408.13376	0.5
409.13528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78286	2.6
52.77685	2.3
57.03340	4.2
59.01266	39.4
61.98724	9.4
63.84316	2.6
66.18147	2.4
71.01275	7.3
80.91570	11.3
81.03329	2.8
83.01274	7.4
85.02852	2.4
87.70156	2.7
89.02308	3.1
93.03339	2.8
95.01258	3.4
95.04937	3.5
97.06483	4.6
97.44057	2.3
98.20592	4.0
99.00790	3.9
99.92475	6.1
102.85769	2.6
109.06509	4.3
111.08077	12.3
113.02333	3.0
115.00292	2.8
123.04442	7.1
123.08172	3.0
125.09637	22.5
127.11227	10.7
137.09630	7.1
141.09138	9.8
144.14143	2.5
144.71219	2.4
151.11267	4.3
153.09171	5.4
155.10672	3.8
164.08360	5.8
165.09030	3.6
171.10207	26.3
176.82388	2.4
193.08430	17.9
195.10309	3.3
201.11313	61.1
202.11551	4.8
205.08455	3.4
207.10089	5.8
209.07925	11.1
211.13412	2.4
213.11313	40.6
219.09993	8.9
223.09543	95.1
224.09885	5.4
229.17693	3.0
235.09573	33.9
241.09349	25.0
248.10329	3.2
249.11179	4.9
260.10370	24.6
278.11383	42.0
279.11075	2.8
287.16156	2.8
289.18185	10.5
307.19260	25.3
308.19415	4.3
309.20621	3.5
311.16467	4.5
320.11276	5.1
325.20258	100.0
326.20734	13.6
329.17410	72.5
330.17590	9.3
338.12448	4.3
347.17761	49.2
348.17792	8.6
363.10416	7.2
407.09888	3.0
407.20944	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.7
61.98706	1.3
68.91244	0.5
69.03343	0.5
71.01293	0.7
71.38918	0.9
75.00763	2.2
75.97861	0.4
78.95774	1.4
81.79468	0.5
95.01297	0.6
96.96862	2.4
98.26159	0.5
102.58210	0.5
106.85033	0.5
107.01154	0.4
107.67896	0.4
108.02079	1.4
125.62378	0.5
136.00552	0.7
136.01587	10.3
137.09660	1.1
152.41551	0.4
160.19781	0.6
171.10202	1.9
173.71263	0.6
197.11815	0.6
227.06055	0.8
227.08643	0.5
243.08179	33.7
244.08517	3.7
245.09819	1.6
254.07420	0.6
255.71245	0.5
269.07166	4.5
271.07690	21.3
272.08020	1.9
273.09326	0.9
289.10309	1.5
291.19666	0.9
295.11450	1.3
304.09158	1.1
305.09799	2.8
306.10452	1.0
307.11224	0.9
309.10110	0.8
309.20721	1.8
317.09595	0.7
323.10873	1.0
332.08371	1.8
333.09283	5.0
334.09940	1.0
335.10858	13.7
336.11209	2.0
344.08484	1.3
347.15201	2.7
351.10342	30.0
352.10757	3.8
360.08041	4.9
361.08774	17.2
361.13174	1.0
362.09174	1.9
363.10229	1.2
379.09818	22.9
380.10165	4.0
388.07504	1.3
389.08154	4.5
390.08850	0.6
407.09326	100.0
408.09680	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	406.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.0
59.01259	1.2
61.98709	0.3
70.70254	0.4
71.01296	0.3
78.95795	5.2
93.03383	0.3
96.96828	0.3
99.04427	0.8
101.02357	0.4
112.03926	0.2
113.02425	0.3
125.23471	0.2
173.04535	0.4
185.77406	0.3
257.06158	0.6
258.06915	16.4
259.07602	4.3
260.08017	0.3
262.04654	1.1
263.05411	4.0
264.05777	0.4
287.07175	1.0
290.04160	6.3
291.04922	45.1
292.05228	5.2
319.04410	100.0
320.04715	11.4
320.08557	0.3
328.09744	0.5
396.46103	0.3
407.18393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.5
60.66096	0.2
61.98716	100.0
62.94286	0.3
62.98419	0.3
63.47842	0.3
69.71848	0.6
69.72256	1.2
71.64976	0.2
75.26140	0.3
96.96882	0.3
98.20667	0.3
275.13391	0.3
338.10645	0.6
346.14413	0.5
402.36652	0.3
406.16574	0.9
426.69312	0.3
429.77374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33452	1.7
57.03339	5.1
58.02866	15.0
59.01265	42.9
60.01603	1.6
61.98691	1.7
69.43551	11.2
69.43968	4.8
71.01257	8.6
72.00793	2.3
72.99176	1.9
73.02821	3.1
74.02360	28.7
81.04459	2.6
82.02885	2.8
85.02830	2.7
86.02362	15.2
86.06024	3.0
87.00791	2.5
87.02621	2.3
87.05519	5.0
89.02333	7.1
90.47896	1.6
96.95943	2.5
97.03953	3.9
99.04417	4.4
99.05542	25.5
101.02348	6.8
101.07104	3.5
102.05506	4.2
102.98486	2.0
109.03999	5.1
111.05540	2.4
112.03957	2.5
113.02336	5.2
115.25134	1.6
119.03433	4.3
123.05539	2.3
125.02393	3.2
125.03505	4.8
127.05082	3.5
128.03456	73.3
133.06856	18.5
135.05574	7.7
137.07176	2.3
141.06671	2.6
143.04556	100.0
144.04950	2.3
145.06097	3.0
146.04491	12.5
153.06660	7.1
161.04547	2.7
166.09854	3.5
167.04553	5.1
167.08174	8.0
170.03320	3.1
171.04030	3.9
173.04543	3.2
179.04558	25.3
181.06161	1.8
185.05724	3.3
197.05664	5.9
210.08836	23.9
214.09418	2.0
254.07867	51.6
255.08105	3.2
272.08954	65.4
273.09244	4.0
277.12357	6.5
283.04880	2.0
308.07510	3.5
347.17239	5.6
388.15533	16.1
406.16644	95.0
407.07935	6.6
407.16794	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	405.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00403	2.0
57.03333	4.0
59.01264	51.3
61.98719	6.6
70.10081	5.7
70.10471	4.5
71.04906	7.0
93.06991	2.3
93.67071	2.1
96.95921	2.2
97.06482	4.6
98.19803	2.7
117.00338	2.4
119.08631	2.3
121.02808	2.0
121.10138	18.7
125.09654	10.1
137.09636	10.5
147.08159	2.4
149.09657	8.2
159.01331	2.5
167.10782	2.6
171.10217	17.0
185.11807	19.0
197.11809	5.9
207.09981	6.5
209.11806	2.1
211.13425	2.6
217.15932	5.0
222.26279	2.1
245.19170	6.5
258.08914	2.7
264.34296	2.4
273.18604	4.3
291.19742	55.4
292.20041	6.8
305.21213	15.2
313.17911	79.4
313.21576	4.1
314.18283	8.0
319.04523	2.7
323.22348	100.0
324.22607	10.0
345.20462	6.7
373.18753	7.8
389.19321	3.5
405.22394	48.9
406.22321	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89883	10.7
59.01265	90.2
61.98719	100.0
67.95652	11.3
71.58439	10.1
71.58805	13.4
75.00779	15.9
80.19321	12.4
82.50055	10.6
107.02393	11.9
150.56122	10.6
341.72656	11.6
350.18256	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	405.214
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
57.03337	0.5
58.00470	0.8
59.01264	26.5
60.01601	0.4
61.98710	1.4
69.03346	0.3
70.97777	0.4
71.01266	10.6
71.04903	0.4
72.99200	0.8
73.02825	1.0
76.48872	0.2
79.37305	0.2
83.01273	1.2
85.02836	2.8
87.00769	0.7
89.02337	8.5
89.07226	0.2
95.01288	1.0
97.02798	0.2
99.00777	0.6
99.04421	0.6
101.02346	7.0
107.07545	0.1
109.02852	0.2
113.02357	3.8
119.03418	2.8
123.08083	0.2
125.02390	0.3
125.09648	0.6
130.08771	0.2
135.00755	0.4
143.03389	0.3
143.10706	0.2
161.04488	0.4
162.74919	0.2
173.04445	0.3
181.15880	0.3
181.73058	0.2
183.13730	0.5
210.25037	0.2
225.14957	6.7
226.15236	0.4
236.46306	0.2
243.16039	12.1
244.16339	1.0
261.10394	0.2
345.04062	0.2
345.19479	0.2
350.31091	0.2
387.20389	1.6
388.20792	0.3
405.21362	100.0
406.21698	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	405.2139
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01783	0.8
57.03317	0.9
58.00475	1.9
59.01266	53.3
60.01613	0.7
61.98721	4.7
69.03336	0.6
71.01270	53.3
72.01597	0.7
72.99200	2.3
73.02838	2.0
73.94865	0.6
74.10313	0.5
78.95801	1.2
83.01286	1.7
85.02848	7.4
87.00764	1.7
87.62181	0.5
89.02335	26.6
95.01296	2.3
96.95919	0.9
98.20577	1.2
99.00825	0.8
101.02348	19.6
111.04450	0.7
113.02361	12.4
113.03078	1.1
119.03413	11.4
122.59136	0.5
127.11205	1.0
130.19899	0.6
131.03398	0.9
134.61810	0.7
135.04469	1.0
137.02383	0.7
139.11227	0.8
143.03433	0.9
149.04568	0.8
151.03979	1.5
153.12819	3.0
161.04518	1.7
173.04529	0.8
179.05573	2.1
181.12357	0.8
199.13379	5.4
200.13846	0.8
207.13939	1.1
225.14995	2.9
242.13077	0.8
243.16028	0.8
258.06964	1.6
285.13596	2.1
291.05042	3.9
319.04367	7.8
345.19427	0.8
387.20441	1.8
405.21439	100.0
406.21780	12.5
421.65463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2139
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01767	1.0
57.03334	5.1
58.00480	2.6
59.01263	53.8
60.01594	0.9
61.98718	6.3
67.08440	0.5
69.03336	4.6
71.01267	43.3
71.53697	1.0
72.99201	4.0
73.02854	3.0
75.00736	0.5
83.01255	1.9
85.02839	7.2
87.00777	2.2
89.02336	30.6
90.02679	0.6
93.03360	1.5
95.01281	3.0
96.95876	0.6
97.02845	6.9
97.06463	0.7
99.00769	1.5
99.04400	2.6
101.02341	22.5
111.04366	0.6
113.02358	11.7
119.03410	13.3
120.03763	0.6
121.02873	10.2
125.02360	1.6
125.09624	1.6
127.11246	1.5
131.03419	1.2
135.04448	1.1
137.02284	0.7
139.11211	0.6
140.11505	0.8
141.01886	6.3
141.53131	0.5
143.03447	2.5
149.04515	1.1
153.12762	7.6
161.04512	1.8
170.61017	0.5
173.04506	1.6
179.05562	3.4
181.12350	1.0
185.00938	2.5
199.13326	4.3
209.11844	0.7
225.14877	2.8
249.55811	0.5
256.04385	0.5
387.20270	1.1
391.25128	0.5
405.21347	100.0
406.16324	0.4
406.21677	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	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79826	0.5
57.03337	100.0
58.00481	1.3
58.03675	1.7
59.01265	76.9
61.98730	1.0
69.03353	0.7
69.45647	2.4
69.46078	1.6
71.01271	18.8
71.01669	1.0
72.99184	1.1
73.02833	11.8
76.68654	0.5
81.03347	1.7
83.01277	4.7
85.02843	3.3
85.72076	0.5
86.03207	0.5
87.00771	1.3
89.02336	18.2
89.41453	0.4
89.76176	0.4
95.01299	1.9
97.02824	0.8
97.06493	0.6
98.20562	1.0
99.00779	0.6
99.04416	75.5
100.04739	2.5
101.02345	31.0
102.02670	0.8
113.02357	8.4
113.05997	0.6
119.03422	7.3
121.02910	0.6
123.04446	4.7
125.02361	21.3
125.44314	0.5
131.03407	1.7
141.01877	0.6
141.05428	1.3
143.03435	4.4
149.04538	2.6
153.05492	0.7
161.04503	5.4
173.04478	0.9
179.05589	5.3
203.05521	0.7
221.06772	0.5
261.13477	3.0
262.13895	0.7
297.69495	0.5
303.14584	1.0
343.17545	0.6
349.48651	0.5
361.32748	0.5
391.90308	0.5
405.17627	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	405.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
55.74827	0.4
57.03338	100.0
58.00488	0.6
58.03668	2.7
59.01265	80.8
59.19595	0.3
59.72477	0.4
60.01601	1.5
61.98697	1.0
70.98196	0.6
70.98540	0.7
71.01270	16.2
72.99186	0.6
73.02840	7.8
75.00764	1.1
81.03343	1.0
83.01272	4.6
85.02840	8.8
86.72117	0.4
87.00773	1.2
89.02328	3.0
93.03360	0.9
95.01317	1.2
96.72741	0.4
99.00775	3.4
99.04418	86.3
100.04762	2.5
101.02347	35.4
102.02666	1.0
112.04008	0.4
113.02364	6.9
116.51319	0.4
119.03433	0.8
125.02368	21.3
126.02705	0.5
143.03423	2.9
159.02902	1.7
161.04506	8.3
166.13963	0.5
166.62480	0.4
173.04530	2.0
179.05531	0.4
183.10236	0.8
187.07617	0.9
191.05544	0.9
196.08400	0.4
214.14832	0.4
231.06529	2.2
243.12215	1.1
243.16127	0.4
261.13477	34.8
262.13882	3.2
303.14554	4.7
305.12228	0.7
343.17892	3.0
405.17520	11.4
405.25787	2.1
406.17688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50237	17.4
53.90349	16.6
59.01260	81.8
61.98724	100.0
68.90232	18.2
71.56556	36.0
101.12308	23.4
137.18587	18.8
152.99590	27.5
174.75458	24.3
190.05432	20.2
204.66092	21.2
321.03339	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79826	0.5
57.03337	100.0
58.00481	1.3
58.03675	1.7
59.01265	76.9
61.98730	1.0
69.03353	0.7
69.45647	2.4
69.46078	1.6
71.01271	18.8
71.01669	1.0
72.99184	1.1
73.02833	11.8
76.68654	0.5
81.03347	1.7
83.01277	4.7
85.02843	3.3
85.72076	0.5
86.03207	0.5
87.00771	1.3
89.02336	18.2
89.41453	0.4
89.76176	0.4
95.01299	1.9
97.02824	0.8
97.06493	0.6
98.20562	1.0
99.00779	0.6
99.04416	75.5
100.04739	2.5
101.02345	31.0
102.02670	0.8
113.02357	8.4
113.05997	0.6
119.03422	7.3
121.02910	0.6
123.04446	4.7
125.02361	21.3
125.44314	0.5
131.03407	1.7
141.01877	0.6
141.05428	1.3
143.03435	4.4
149.04538	2.6
153.05492	0.7
161.04503	5.4
173.04478	0.9
179.05589	5.3
203.05521	0.7
221.06772	0.5
261.13477	3.0
262.13895	0.7
297.69495	0.5
303.14584	1.0
343.17545	0.6
349.48651	0.5
361.32748	0.5
391.90308	0.5
405.17627	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51596	0.3
56.96096	0.4
59.01266	100.0
60.01609	1.4
61.98703	0.8
70.82326	0.8
70.82689	0.7
71.01267	3.1
72.99223	0.5
78.31233	0.3
85.02863	0.8
89.02355	2.8
99.04446	0.6
100.91287	0.3
101.02372	1.2
113.02372	1.0
119.03443	1.2
121.02888	5.0
143.13168	0.4
150.92459	0.4
160.67079	0.4
161.04593	0.4
174.12360	0.3
179.05614	1.3
225.05670	0.5
301.21970	0.5
313.07312	1.5
327.21881	0.8
335.41577	0.3
341.10925	7.2
342.11438	0.8
357.06467	0.8
383.75745	0.4
401.08679	1.9
401.22345	0.6
401.26862	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.7
57.03329	6.8
59.01262	47.3
61.98709	8.7
69.03322	13.4
71.01283	40.4
71.57758	5.1
72.60918	4.9
72.99210	23.0
73.02821	7.3
81.03358	5.0
85.02837	17.3
87.00745	8.4
89.02345	32.5
93.03362	28.1
95.01280	7.6
95.04924	4.7
96.95923	4.7
99.00776	6.1
101.02344	19.4
101.64103	4.8
109.02850	6.6
111.04423	5.5
113.02346	8.0
119.03392	13.6
121.02834	6.5
123.00803	11.0
123.04414	17.9
125.02354	5.8
135.04442	4.8
137.02362	31.4
139.03957	11.1
149.02359	11.2
151.03937	5.0
157.04913	5.3
161.04436	8.2
167.03465	23.7
173.04538	100.0
175.11218	7.1
179.05539	6.0
182.83760	4.8
185.00911	14.6
191.05608	76.6
193.01428	9.0
195.03015	5.4
205.12206	5.0
211.02365	5.4
223.13400	13.8
229.03741	5.3
241.14529	11.1
247.04608	9.3
293.76477	6.2
369.56232	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	403.1982
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
53.14004	0.2
53.82632	0.2
55.01756	0.3
56.51027	0.2
57.03328	0.8
58.00479	0.5
59.01266	11.2
61.98718	4.5
69.03340	0.6
69.40722	2.2
69.97898	0.2
70.89330	0.2
71.01268	7.3
71.01669	0.4
71.04894	0.5
72.01599	0.3
72.99177	0.3
73.02843	1.5
74.02364	0.4
75.71761	0.2
79.05416	0.2
80.02561	1.7
81.03362	0.3
83.01286	0.9
85.02841	2.6
87.00771	1.0
89.02332	5.3
93.03384	0.5
95.01312	0.6
97.02850	0.3
98.03635	8.6
99.00792	0.5
99.04437	0.9
101.02348	4.5
105.03349	0.3
107.70668	0.3
107.93794	0.2
113.02354	2.2
119.03433	2.1
123.08070	2.4
125.09641	1.7
129.82698	0.2
133.02884	3.1
135.04482	0.3
137.02408	0.5
141.09140	1.2
160.01584	0.4
160.05199	0.6
163.11223	1.4
173.04485	0.8
175.07487	0.2
177.01888	1.5
178.02585	0.5
179.03493	0.3
179.14395	2.9
181.12358	0.3
205.12372	0.4
223.13394	10.2
224.13786	0.9
225.14929	0.4
235.57108	0.2
241.14471	63.3
242.14807	5.3
243.16133	0.4
273.05560	0.3
306.07462	4.3
307.08047	0.4
361.19028	0.4
403.19791	100.0
404.20139	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	403.1982
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01774	4.6
55.44219	0.6
55.45702	0.5
57.03339	8.4
58.00489	3.9
58.39656	0.6
59.01265	81.1
60.01593	1.3
60.99195	1.1
61.38791	0.6
61.98708	0.9
69.03343	2.6
69.30978	5.5
71.01270	86.2
72.01604	1.5
72.99199	6.6
73.02837	21.5
75.00763	1.9
83.01274	11.3
85.02844	34.8
85.99998	1.1
86.03178	0.9
87.00774	6.7
87.04396	0.8
88.27623	0.6
89.02339	48.0
93.03370	1.0
95.01269	6.3
96.95905	0.9
97.02840	1.9
99.00778	9.0
99.04424	1.2
101.02347	68.5
102.02672	1.5
109.06498	1.2
111.00777	1.1
113.02354	34.3
114.02693	1.0
118.36887	0.6
119.03411	20.8
123.08102	0.7
125.02359	2.1
129.01860	1.8
131.03442	1.6
143.03450	4.9
149.04503	1.0
159.02942	4.5
161.04507	27.0
161.05847	1.4
162.04869	0.7
163.11235	2.6
165.09108	3.2
173.04524	1.6
175.11230	1.2
176.72369	0.6
179.05603	4.0
179.10915	0.7
179.14348	6.8
191.05623	0.7
201.81441	0.6
205.03537	1.1
205.12277	2.0
215.91943	0.7
223.13368	7.2
241.14507	3.3
341.19370	0.8
359.20834	23.0
360.21094	2.8
403.19818	100.0
404.20169	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	401.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	1.0
57.03331	0.9
58.00486	2.1
59.01267	60.0
61.20290	1.1
69.31352	9.0
69.31755	2.0
71.01271	39.7
72.83534	1.0
72.99200	6.9
73.02864	1.3
75.00757	2.2
85.02854	4.8
86.41934	1.1
87.00771	3.3
88.98733	1.3
89.02337	57.8
94.53711	0.9
95.01293	2.3
98.19827	2.1
99.00782	1.2
101.02351	19.5
103.00287	1.0
105.01839	1.9
113.02357	17.9
117.01846	1.1
119.03425	19.0
123.04463	1.7
131.03409	2.5
133.01340	3.0
135.04456	1.2
143.03427	4.1
147.65370	1.0
149.04491	2.2
161.04497	6.0
165.05562	1.1
173.04515	1.4
179.05573	21.5
191.05579	1.4
212.12285	1.1
290.48270	1.0
341.10968	100.0
342.11386	7.5
350.91461	1.1
401.11136	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	401.146
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01771	6.3
57.03335	7.7
58.00475	2.4
59.01263	50.1
68.99716	0.9
69.03350	3.7
69.53662	5.3
71.01269	100.0
72.01603	2.0
72.99186	5.3
73.02834	35.7
74.03162	0.7
75.00764	4.0
81.03340	1.7
83.01276	13.2
85.02842	40.2
85.99965	1.1
86.03162	0.7
87.00758	5.4
89.02336	30.3
93.03345	1.8
95.01280	7.1
97.02837	4.5
99.00777	16.7
99.04410	2.0
101.02344	71.2
102.02695	1.2
107.04933	0.9
111.00820	2.1
111.04397	0.8
113.02352	36.4
115.03906	3.1
119.03419	6.6
123.04428	1.2
125.02357	7.7
127.03915	0.7
129.01834	1.7
129.07021	2.2
131.03410	4.0
135.11722	0.7
137.02377	1.0
143.03424	5.4
147.08127	1.2
149.04494	2.0
159.02948	7.1
159.11729	4.1
161.04500	41.9
162.04805	1.1
173.04478	4.8
175.11186	1.1
177.05438	0.8
177.12825	1.4
179.03458	0.9
179.05550	2.3
180.04305	0.7
191.05626	3.4
192.43129	0.6
195.06577	0.6
203.10652	1.2
205.03517	2.7
208.17519	0.6
211.87289	0.5
221.11833	13.1
222.12201	1.3
233.06657	6.8
269.10345	80.8
270.10718	6.4
293.08905	4.0
341.10928	4.2
379.58496	0.6
401.14429	90.8
401.26532	2.0
402.14700	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	401.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	1.2
57.03336	1.6
58.00480	3.8
59.01265	70.8
60.01617	0.9
60.28662	0.5
69.03349	0.9
69.49355	2.8
69.49772	1.9
71.01270	42.0
72.01609	0.6
72.99203	4.1
73.02840	1.2
83.01292	2.7
85.02838	7.5
87.00771	2.7
89.02339	43.0
90.02683	0.9
93.03368	2.2
95.01302	3.0
97.02813	0.6
98.20552	1.2
99.00784	1.1
99.04420	0.7
101.02343	26.2
102.15594	0.6
113.02354	15.9
119.03423	20.6
120.03764	0.8
131.03439	2.5
135.04449	1.2
137.02391	1.0
143.02397	0.5
143.03406	2.5
144.13782	0.5
149.04504	1.6
161.04504	2.8
161.05794	0.5
165.75108	0.5
173.04494	7.4
177.12787	0.7
179.03476	1.4
179.05547	4.8
185.00909	0.6
191.05608	3.2
192.05850	0.7
203.10712	1.3
221.11891	1.1
237.94731	0.4
243.05901	0.5
307.18948	0.5
341.10849	2.7
353.08945	0.5
365.76917	0.6
401.18259	100.0
402.18655	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	399.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.0
57.03340	3.3
57.77304	0.5
58.00489	1.0
59.01268	93.9
60.01612	0.8
66.68850	0.4
67.01791	0.7
67.02125	0.4
68.99713	0.8
69.03345	2.5
71.01272	26.7
71.27381	0.9
72.01598	0.7
72.99204	2.2
73.02837	8.6
75.00780	1.2
83.01279	6.9
85.02842	18.8
85.99994	1.5
87.00774	2.5
87.04407	0.5
89.02333	5.5
92.55013	0.4
93.03352	3.3
95.01295	3.7
97.02880	1.5
99.00790	5.1
99.04412	0.5
100.01148	0.4
101.02351	17.3
111.00810	0.9
111.04425	0.5
112.01577	2.7
113.02359	13.2
119.03439	1.6
119.04924	0.6
121.02867	3.6
122.03674	2.3
123.00804	0.4
124.01572	0.6
125.02366	1.0
129.01808	0.4
134.03667	0.7
135.04446	5.7
136.05139	0.9
137.02365	2.1
141.01860	0.5
142.02689	0.6
143.03452	1.2
147.04410	0.5
149.02530	0.6
149.05992	0.6
154.02657	0.8
159.02905	0.9
161.04497	1.9
162.06841	1.7
163.07631	1.3
173.04512	7.6
175.03952	0.5
177.05556	1.6
179.03490	1.4
179.05467	0.6
179.46762	0.4
180.07886	29.3
181.08437	3.0
185.00838	0.5
187.07661	0.7
191.05606	5.8
195.10251	35.7
196.10579	2.1
209.08205	1.0
219.10280	0.9
222.09079	0.8
223.09547	0.5
237.11385	0.7
279.12500	1.6
284.96393	0.4
291.12271	0.6
299.11377	1.5
309.13501	1.7
324.12283	2.2
332.68954	0.5
333.18896	0.7
339.14560	100.0
340.14908	10.6
342.13193	0.5
357.15625	48.9
358.16040	4.4
391.11090	0.4
399.16840	7.3
400.17142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.0
57.03342	3.1
58.00480	4.0
59.01266	99.9
60.01597	1.4
60.52442	0.7
67.01777	0.9
69.03349	1.9
69.87977	2.2
69.88366	1.8
71.01270	65.8
72.01626	0.8
72.99195	6.8
73.02855	3.7
75.00768	4.8
76.84410	0.8
83.01292	3.4
83.04883	0.7
85.02840	14.1
87.00779	5.7
89.02338	61.3
90.02686	0.9
93.03365	5.4
94.17005	0.8
95.01289	4.8
97.02921	1.1
99.00783	1.2
99.04411	0.9
101.02349	38.7
104.18004	0.8
105.01846	4.7
107.04941	0.8
111.04443	0.9
113.02363	20.5
114.02731	1.4
119.03421	25.3
125.02382	0.9
131.03467	2.3
135.02965	1.4
135.04456	2.1
137.02364	1.2
143.03461	3.9
149.04521	1.5
150.03123	1.2
151.03937	3.4
153.05434	0.8
155.03429	1.1
159.11757	1.1
161.04512	4.1
165.05550	2.7
165.09167	3.3
173.04521	16.1
174.04860	1.9
175.02515	1.2
179.03532	1.2
179.05595	7.2
179.10612	1.0
181.05023	0.9
191.05576	3.8
195.66151	0.8
203.10742	1.5
205.08711	1.4
221.11780	8.9
227.05641	2.5
228.80128	0.8
235.09956	1.4
239.12802	1.1
247.09837	1.0
341.11090	2.7
383.16898	1.2
401.18246	100.0
402.18582	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	401.1826
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01772	1.8
57.03333	2.8
58.00482	1.3
59.01266	22.9
59.77700	0.4
69.03328	0.9
69.25923	3.8
69.34425	0.3
71.01271	18.0
72.73701	0.3
72.99192	1.3
73.02835	5.0
83.01272	4.0
85.02840	8.6
85.99992	0.4
87.00777	1.0
89.02335	7.9
93.03386	0.6
95.01276	2.1
97.02882	0.6
97.06503	0.3
99.00789	1.6
101.02348	14.0
106.90979	0.3
111.00800	0.5
113.02357	5.7
119.03423	3.1
123.08073	2.1
142.40149	0.4
151.11250	0.4
159.02971	0.5
161.04483	1.2
173.04550	1.5
177.12822	3.8
185.00917	0.5
191.05588	0.7
195.13870	1.8
218.71333	0.5
221.11871	3.2
276.84302	0.3
341.10959	1.1
372.80212	0.3
401.18256	100.0
402.18585	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	401.1827
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01777	0.8
57.03336	2.1
58.00485	5.4
59.01266	100.0
60.01604	1.7
60.15007	0.9
69.77184	0.8
70.46832	1.0
71.01271	59.3
71.14597	1.9
72.01600	1.3
72.99187	4.7
73.02842	3.5
73.67372	1.0
77.30527	0.7
83.01279	3.0
85.02840	11.5
87.00774	3.4
89.02338	67.6
90.02668	1.9
93.03367	1.1
95.01287	3.8
99.00745	0.9
99.16521	0.9
101.02348	38.2
102.26959	0.9
108.02097	1.1
109.02840	1.3
113.02360	26.3
119.03420	37.1
131.03424	3.8
143.03441	4.9
147.08200	0.9
149.04495	4.3
152.01120	1.3
155.03467	0.9
157.87024	0.9
161.04512	5.9
166.30293	0.9
170.07288	1.1
173.04544	1.7
179.05550	9.6
179.10666	0.9
203.10725	1.8
221.11830	14.6
222.12225	1.2
239.09306	0.8
341.11182	1.8
401.18268	71.5
402.18674	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	399.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	5.1
57.03335	4.7
58.00483	3.8
59.01265	91.3
67.01775	2.3
69.03342	19.6
69.55488	13.9
71.01273	71.5
72.99202	6.0
73.02839	14.3
75.00797	2.2
83.01270	8.4
83.04929	4.5
85.02839	29.3
87.00777	5.0
89.02344	42.4
93.03374	10.4
93.06976	3.7
95.01291	6.6
97.02836	4.9
98.20554	2.3
99.00784	11.0
101.01702	3.3
101.02351	55.0
113.02350	28.4
119.03405	13.5
121.02860	6.9
132.02071	7.0
133.02882	3.6
133.10150	5.4
134.03665	6.0
135.04436	3.7
137.02333	2.0
141.01865	3.5
142.52362	1.6
143.03455	5.1
145.06558	8.7
149.04506	2.0
157.10208	2.1
159.02917	3.3
159.08090	4.7
160.01602	26.8
160.08896	48.8
161.02299	1.7
161.04510	30.0
171.10229	1.9
173.04512	19.4
173.09650	7.2
175.02527	2.1
175.03970	33.3
175.11246	77.1
176.11610	5.4
179.03481	2.1
179.05583	1.9
185.00890	16.7
191.05571	12.9
193.05058	6.5
219.10263	100.0
220.10576	8.2
227.07405	2.2
230.10374	1.8
251.11394	91.1
252.11708	8.2
399.12750	30.0
399.16727	70.5
400.12900	4.9
400.17691	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	399.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52281	0.6
55.01766	1.2
57.03321	2.1
58.00465	2.4
58.59471	0.6
59.01265	53.7
60.01593	0.7
61.98717	1.0
66.96492	0.6
67.01775	0.7
69.03345	3.2
71.01271	37.5
71.34562	0.7
72.99200	4.9
73.02826	1.8
74.04149	0.6
83.01258	3.1
83.04913	4.9
85.02842	9.7
87.00765	1.9
89.02338	27.4
90.02687	0.7
91.05424	2.0
93.03339	3.4
93.07002	3.3
95.01300	3.3
97.02823	0.9
99.00797	1.0
101.02346	16.8
106.01286	0.6
108.10622	0.7
111.04459	0.9
112.06847	0.6
113.02352	12.3
113.42889	0.7
119.03408	9.5
119.04819	1.3
131.03365	1.0
133.10144	4.6
135.04434	2.9
143.03506	1.0
144.05681	0.7
145.06502	6.3
149.04416	1.0
149.06059	0.8
157.10139	2.7
158.07312	1.0
159.08105	6.6
160.01596	1.1
160.08882	50.5
161.04515	3.2
161.09212	3.5
171.10233	0.8
173.04529	6.8
173.09683	9.8
175.03954	1.2
175.11240	93.1
176.11542	6.2
179.03523	1.1
179.05489	1.1
191.05603	4.5
201.09233	0.7
219.10258	100.0
220.10565	6.6
227.07431	1.1
251.11380	7.0
263.07748	1.0
281.08896	1.5
324.06622	0.8
374.64053	0.7
399.16739	71.8
400.17059	8.8
413.84637	0.9
415.19263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2913
Annotation	DHEA ENANTHATE
Peak:m/z	Relative Intensity
59.01272	2.3
65.81224	0.3
80.96408	0.5
101.10152	0.3
102.02026	0.3
106.23544	0.3
169.41705	0.4
184.51799	0.4
201.29501	0.3
210.88672	0.3
215.53996	0.3
229.60605	0.6
399.29135	100.0
400.29459	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	399.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60322	0.6
59.01262	100.0
60.01591	1.6
61.98716	2.0
62.77694	0.7
65.86653	0.7
70.68300	2.0
71.01264	0.9
105.01900	0.8
125.09666	2.3
127.07555	3.7
139.07599	2.1
153.05304	0.6
206.40950	0.7
252.13696	4.8
311.98636	0.8
321.20584	0.9
339.22113	0.9
422.17203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85436	2.8
59.01265	21.1
71.01295	2.8
75.85369	3.1
78.95753	3.2
79.95620	14.9
80.96388	4.7
83.06328	2.7
83.24799	2.6
87.00774	3.8
89.02368	3.0
96.95283	4.6
96.95913	83.8
98.20584	7.2
104.65942	2.7
122.97523	4.6
167.25029	3.0
189.39760	3.4
221.79240	2.9
229.25005	3.6
232.97581	5.2
251.59756	3.8
330.18268	3.2
397.22708	100.0
397.33737	4.0
398.22977	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
55.92470	1.3
57.03346	5.9
59.01263	15.8
61.98716	1.7
65.68501	1.0
67.01781	3.9
67.31407	1.0
69.03361	6.1
71.01276	16.1
71.57287	2.3
72.99200	4.3
73.02831	4.8
75.00764	3.0
81.47397	1.0
83.01286	2.7
85.02843	10.6
87.00768	9.9
89.02335	6.2
93.03363	25.0
94.38725	1.1
95.01283	2.1
95.04906	2.2
97.02856	4.5
99.00788	4.4
99.04404	3.0
101.02333	6.8
105.01843	3.5
105.03343	3.3
108.02081	3.5
109.02859	4.4
111.00809	1.3
111.04440	4.8
113.02361	7.3
113.05948	1.1
119.03403	2.3
119.04926	1.9
121.02885	8.9
121.06445	1.5
123.00784	2.4
123.04470	5.7
125.02329	3.4
127.03922	1.3
129.01808	1.4
132.02089	3.9
134.03648	3.7
135.04417	3.1
137.02373	7.2
137.09630	6.0
138.03143	2.0
141.01895	1.5
143.03461	1.3
145.02838	1.7
146.93301	1.2
149.02385	14.3
151.03954	2.8
153.05446	1.7
155.03441	4.6
161.04520	3.4
163.03932	4.3
166.02647	6.0
173.04517	100.0
174.04840	5.2
175.03912	1.7
175.11252	2.7
179.03313	1.7
181.05026	11.0
185.00928	2.5
187.14842	1.1
191.05560	21.8
191.10640	1.8
192.04253	1.5
193.01208	1.1
193.05037	4.4
205.03673	1.6
207.02998	1.2
208.03627	2.0
217.05025	1.4
219.10197	5.7
223.04622	2.1
225.04050	6.5
251.11371	5.5
253.24266	1.2
267.92676	1.1
366.09555	4.9
399.16913	12.8
400.16821	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	397.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62141	0.4
51.97747	0.4
55.01767	0.6
57.03322	0.5
58.00481	0.9
58.05027	0.4
59.01263	100.0
60.01614	0.9
61.98721	1.4
69.03345	1.2
69.45975	3.6
71.01268	17.8
72.99200	1.0
73.02835	12.1
83.01268	3.4
85.02844	5.3
87.00780	0.9
88.98704	1.0
89.02333	9.8
89.02837	0.7
95.01292	0.8
97.02877	0.6
97.83133	0.4
98.20537	0.7
99.00813	0.7
101.02347	14.7
101.03015	0.7
102.02731	0.5
113.02349	8.0
119.03403	4.3
123.08069	2.4
131.03453	0.9
132.02057	0.5
134.03644	0.7
143.03470	1.3
149.04549	0.7
158.51201	0.4
160.01601	0.7
161.04492	3.3
173.04541	0.6
175.04008	1.0
175.11250	1.9
179.05571	1.6
185.76949	0.4
191.63710	0.4
193.05122	0.5
193.12262	2.6
203.05484	0.5
240.43510	0.4
263.10922	0.4
265.16486	0.5
337.16580	2.8
355.17654	6.9
356.18015	0.6
389.46652	0.4
397.11359	0.8
397.18835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54672	0.3
53.82800	0.3
59.01257	1.1
61.98717	100.0
63.90028	0.3
96.95924	0.7
105.95298	0.3
137.37399	0.3
160.68884	0.3
169.89641	0.3
171.10217	0.4
172.86311	0.3
309.20926	0.4
394.18466	6.6
395.18820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78905	0.5
59.01263	100.0
60.01600	1.3
61.98707	3.7
71.01278	1.2
71.21047	1.3
73.02832	0.8
73.44865	0.5
74.00587	0.6
79.69559	0.6
90.66785	0.5
93.03362	0.9
96.95962	0.8
99.95074	0.5
101.02324	0.6
135.04434	0.6
156.93518	0.5
173.04521	1.6
173.09706	0.9
191.05598	0.7
191.10844	1.1
243.14784	0.5
275.94049	0.5
294.24835	0.6
389.22559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51205	1.2
55.01752	3.6
57.03320	2.4
58.00468	4.9
59.01263	99.5
61.98719	1.9
62.52536	1.3
66.20496	1.2
69.03346	6.4
71.01269	100.0
71.56272	1.3
71.56673	1.5
71.72781	1.4
72.01579	1.3
72.81133	1.2
72.99194	9.3
73.02834	16.6
75.00790	1.7
78.95782	2.0
81.03355	3.0
82.42935	1.2
83.01273	10.6
85.02843	21.2
85.99962	2.2
87.00777	18.7
89.02335	71.4
91.03908	2.4
93.03369	2.3
95.01294	6.5
97.02853	18.2
98.52851	1.3
99.00762	6.8
99.04391	1.6
101.02344	70.0
103.72262	1.2
109.02865	2.4
110.63091	1.2
111.04404	3.3
113.02351	33.0
115.03889	2.9
119.03407	25.5
121.02871	3.6
125.02357	23.4
131.03435	4.6
133.04961	6.9
139.03940	2.6
143.03404	9.7
149.04469	2.7
155.69899	1.1
161.04512	14.9
162.04785	1.3
169.04999	1.7
179.05605	6.3
179.60254	1.3
203.05400	1.3
217.07104	3.6
221.06651	5.0
223.10115	1.4
235.08240	22.9
236.08527	1.8
245.06737	2.1
253.09212	2.6
263.07739	2.7
277.09164	1.9
287.07745	2.1
305.08945	2.6
306.88120	1.4
361.11252	1.5
379.12546	2.2
397.13562	94.5
398.13840	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	393.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25404	0.6
52.72672	0.6
53.68678	0.6
54.54066	0.6
57.03257	1.9
59.01168	22.2
59.01502	4.5
61.98620	15.8
61.98981	3.1
69.03262	1.3
71.01202	0.7
71.04840	0.9
71.59586	1.0
73.59589	0.5
78.95705	0.7
82.72355	0.7
83.04820	1.8
85.02768	0.6
85.06396	0.7
97.02848	3.5
97.06371	1.7
99.08046	3.4
99.92399	0.8
111.07957	0.6
113.09641	3.5
121.10029	2.1
125.09507	2.6
127.11149	1.1
137.09557	0.7
139.11229	12.6
147.11632	0.9
151.11041	0.7
163.11127	1.3
165.12755	3.9
167.10716	1.5
168.14937	0.6
171.10228	25.8
172.10463	1.6
172.73071	0.6
175.11195	1.1
185.11685	2.3
191.14333	0.9
193.08452	12.7
193.12308	11.4
207.09926	1.9
209.11758	0.9
211.13377	7.1
212.13678	0.7
215.10529	4.5
219.09944	1.1
227.12802	0.7
233.11615	21.5
234.11772	1.4
249.22197	1.8
251.11351	1.1
259.09509	1.5
293.12732	1.4
293.21307	18.6
294.21625	1.6
311.22348	100.0
312.22702	12.1
315.19412	2.7
333.20541	10.5
334.20605	0.9
337.10645	0.6
375.21115	0.6
377.19696	2.2
393.09805	1.0
393.22534	29.0
394.22919	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	393.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.3
59.01266	28.3
61.98718	24.1
69.39294	1.2
83.04919	1.2
83.24710	1.1
88.69482	1.1
96.95892	1.1
97.02880	3.5
97.06502	1.9
98.20568	2.6
99.08070	3.3
104.91662	1.2
113.09618	5.9
121.10161	1.5
122.00215	1.1
125.09626	2.0
137.09636	1.6
139.11211	31.6
140.11502	1.1
149.05847	1.1
153.74942	1.1
155.10728	3.4
165.12791	4.8
167.10701	1.4
171.10236	27.5
172.10597	2.1
175.07553	1.0
193.08434	17.9
193.10085	1.6
195.13902	1.6
207.10004	7.6
211.13383	3.5
215.10507	3.6
219.10049	2.0
220.30144	1.1
233.11617	28.7
234.12000	1.7
251.11403	2.7
293.12332	1.3
293.21286	21.0
294.21442	1.7
311.22354	100.0
312.22729	11.4
315.19452	3.1
333.20523	19.3
334.20895	3.1
375.21204	1.2
377.19589	5.6
393.22211	16.4
394.22119	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11289	0.7
51.86707	0.7
52.89841	0.6
55.01760	1.3
57.03337	95.6
58.03672	2.0
59.01263	100.0
60.01587	1.7
61.98705	0.8
67.01777	1.9
69.03349	1.1
71.01266	15.5
71.57929	1.0
72.99181	1.4
73.02840	8.2
81.03345	0.9
83.01290	4.5
85.02834	9.1
85.59354	0.8
87.00768	1.7
89.02306	1.4
93.03361	9.1
95.01295	1.2
97.06473	1.7
98.17284	0.8
99.00793	3.1
99.04415	80.0
100.04738	2.4
101.02341	34.1
109.02808	1.0
111.00787	1.6
111.04405	1.9
113.02339	8.8
119.04903	1.9
125.02360	22.5
134.03639	0.8
135.04478	1.5
137.02368	2.6
143.03400	2.3
155.03381	1.2
159.02992	1.4
161.04501	6.0
171.10144	1.5
173.04510	20.7
174.04863	1.9
191.05565	4.1
248.10841	0.9
249.13458	30.9
250.13780	1.5
253.08717	2.3
257.05597	1.5
265.23016	0.8
275.09323	1.3
291.14578	2.6
331.17911	1.4
333.19257	2.5
393.13016	1.0
393.17560	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	393.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.8
57.03343	1.3
58.00482	2.1
59.01263	100.0
60.01605	1.2
67.01767	0.4
69.03332	0.8
71.01269	36.1
71.04908	1.8
72.01619	0.8
72.99199	2.1
73.02835	16.8
74.94273	0.4
83.01278	5.9
83.04903	0.5
83.44799	0.3
85.02835	9.4
87.00763	2.9
87.04405	0.7
89.02335	20.8
90.02672	0.5
93.03345	1.7
95.01276	2.2
97.02885	1.1
97.06517	0.6
99.00777	2.4
99.08085	0.9
101.02344	29.4
102.02702	0.9
103.00261	0.4
109.02876	0.4
111.00813	0.4
111.04457	0.4
112.01525	0.4
113.02356	14.5
113.06004	0.7
119.03419	8.6
119.04255	0.5
125.02378	1.4
125.05963	0.4
127.11209	2.1
129.01907	0.6
129.09134	0.4
131.03450	1.5
134.03693	0.4
135.04480	0.8
137.02461	0.7
140.97456	0.3
141.09125	1.8
142.09610	0.5
143.03419	2.9
145.89665	0.3
149.04523	1.4
155.03432	0.6
159.02963	1.0
161.04495	8.9
171.13875	0.8
173.04521	3.9
174.04689	0.5
178.04791	0.5
179.03664	0.5
179.05603	3.2
183.13849	0.4
189.14934	12.0
190.15329	0.8
191.05612	1.4
195.13913	0.8
203.05608	0.8
205.03586	0.4
209.11919	0.5
213.14996	1.2
235.06203	0.5
253.08958	0.4
255.16142	0.5
292.22525	0.4
321.17084	0.4
333.19244	8.7
334.19830	1.0
351.20300	38.4
352.20645	4.2
352.24606	0.4
393.21439	4.8
394.21942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97683	0.4
51.51577	0.5
51.66009	0.5
52.12595	0.4
55.01773	1.1
55.88311	0.4
57.03337	100.0
58.03673	1.9
58.21024	0.4
59.01264	89.2
60.01618	0.9
69.03358	1.5
69.44691	4.3
71.01270	15.7
72.99193	1.1
73.02836	6.1
74.09901	0.5
81.03346	1.8
83.01263	4.0
83.04947	0.5
85.02844	9.2
85.99975	0.5
89.02345	1.0
93.03359	3.1
95.01283	0.9
97.02851	0.7
97.06511	0.9
97.09451	0.5
99.00783	5.5
99.04417	75.8
100.04752	2.6
101.02345	35.7
102.02689	0.7
111.00761	0.6
111.04456	0.7
113.02357	8.8
119.04920	0.7
121.02903	0.6
125.02367	19.6
126.02683	0.7
130.95462	0.5
135.04446	1.3
137.02368	0.7
143.03423	2.6
155.03426	0.7
156.48018	0.5
157.51682	0.4
159.02951	1.1
161.04506	6.4
173.04526	8.6
179.03362	1.1
185.00919	0.7
191.05498	2.1
221.30124	0.5
231.10220	0.9
243.51367	0.5
249.13457	31.0
250.13687	2.0
279.06665	0.5
291.14532	2.5
331.17685	1.4
393.08609	2.3
393.17953	4.7
394.17789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.6
59.01266	64.8
61.98706	8.5
69.03332	1.7
71.01268	2.3
71.04916	15.0
71.58158	2.0
73.02856	1.4
78.95800	2.4
81.03362	2.3
87.37600	1.2
93.03366	1.6
96.95903	1.5
97.06504	6.5
99.92425	1.5
101.02302	1.3
106.91353	1.4
107.04941	1.4
112.41474	1.2
119.08575	1.6
121.10157	12.2
125.09634	9.5
135.08008	1.1
137.09641	11.3
141.12825	1.1
147.08089	4.5
171.10240	27.2
172.10556	1.4
185.11772	12.0
197.11751	2.0
204.23354	1.4
207.10056	4.4
207.13847	1.9
209.11784	1.4
211.13385	1.3
227.18034	1.7
235.17035	2.6
237.14915	2.4
245.19226	7.5
251.16586	29.0
273.18597	1.5
284.14008	2.2
291.19733	44.7
292.20065	5.7
295.16452	1.4
308.42038	1.3
309.20795	93.8
310.21182	11.9
311.16653	1.3
313.17932	100.0
314.18399	9.5
314.21515	1.7
325.42551	1.4
331.18854	17.0
332.18582	1.7
364.59387	1.3
371.25812	1.3
373.18753	7.2
375.17886	5.5
391.10306	1.4
391.21060	28.4
392.21060	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	392.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99094	0.2
59.01257	1.7
61.98718	100.0
62.98425	0.2
70.32798	0.7
71.01276	0.3
74.30632	0.3
75.80435	0.2
98.60777	0.2
150.90848	0.2
151.06499	0.2
235.93495	0.2
247.05637	0.2
259.41479	0.2
292.64178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64919	1.7
57.03333	1.8
58.13294	1.3
58.22007	1.5
59.01264	82.7
61.98719	29.5
69.03348	2.0
70.05427	5.2
70.05843	3.1
70.40740	1.5
71.01252	4.6
80.02560	2.0
85.02811	1.7
87.00790	2.4
89.02306	1.9
90.68503	1.6
93.03344	2.1
95.04897	2.2
96.95889	2.2
97.02843	3.7
97.06525	1.7
99.92454	1.7
99.96609	1.4
102.50912	1.5
107.04951	2.0
109.06488	2.3
110.29876	1.4
111.08022	1.6
119.03423	1.7
125.09633	5.0
135.07990	1.7
137.09653	13.6
149.58005	1.7
153.12814	1.5
161.04472	2.8
163.11133	3.1
165.09048	3.0
165.12778	9.0
171.10219	4.3
179.10712	2.6
181.12259	4.3
190.58466	1.7
193.00092	1.8
193.08446	25.2
193.15886	2.0
201.11357	3.6
207.10110	4.3
209.11897	3.7
217.00346	1.8
219.10043	3.2
221.11615	2.3
227.12886	5.8
239.11394	2.2
245.19061	1.9
247.09573	6.4
247.20683	6.5
248.10289	11.8
249.10606	1.8
273.18585	2.1
291.16354	2.3
291.19714	62.6
292.19992	6.5
293.17557	5.0
309.20770	67.5
310.21075	8.4
313.17874	16.2
314.18286	3.3
329.16959	3.0
331.18982	100.0
332.19153	9.1
337.16287	2.1
349.18695	3.0
375.17902	7.2
391.20175	24.6
392.20398	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	393.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52836	0.4
52.64348	0.4
53.02461	0.3
55.01772	1.5
57.03337	100.0
58.03674	2.1
59.01264	78.0
60.01599	0.7
67.01800	0.5
69.03336	2.5
71.01270	13.2
71.57189	0.6
72.99196	0.9
73.02834	7.1
74.40758	0.3
75.00748	0.4
77.92065	0.3
81.03353	1.3
83.01276	4.6
83.18807	0.4
85.02843	9.1
87.00783	0.7
89.02352	1.7
91.10429	0.4
93.03352	2.0
95.01299	1.1
97.02859	0.9
97.06476	0.5
99.00777	3.6
99.04419	71.4
100.04739	1.4
101.02345	33.9
102.02653	0.7
111.04393	0.5
113.02357	6.3
119.04980	0.5
125.02367	19.0
126.02687	0.9
129.01860	0.5
135.04457	0.7
137.02402	0.4
141.01898	0.5
143.03426	2.3
155.03497	0.4
157.08656	0.4
159.02962	1.1
161.04506	3.9
163.03969	0.8
173.04506	3.3
185.00815	0.8
191.05580	1.5
218.11021	0.4
225.18179	0.4
232.75121	0.4
235.06248	0.4
248.72148	0.4
249.13474	27.7
250.13956	2.2
256.45056	0.4
291.14597	2.0
331.17584	0.9
350.10059	0.4
393.17368	4.1
393.21518	1.0
394.18359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62275	0.2
55.01778	0.8
57.03335	1.7
58.00496	0.9
59.01263	100.0
60.01605	1.6
64.15213	0.3
69.03352	1.1
71.01266	25.0
71.55965	0.5
72.01638	0.3
72.99204	1.4
73.02833	11.1
75.00771	0.5
81.03349	0.3
81.06976	0.5
83.01266	4.1
85.02847	6.0
87.00771	0.8
87.04414	2.1
89.02338	10.5
95.01286	2.0
96.95907	0.3
97.02822	0.5
99.00769	2.0
99.04424	0.7
101.02343	14.8
102.02718	0.5
111.08080	0.3
112.45778	0.3
113.02353	12.5
115.07565	0.4
115.68886	0.3
119.03411	3.8
125.02375	1.0
129.01959	0.3
131.03465	0.6
139.50648	0.2
143.03412	1.8
149.04552	0.6
159.03014	0.5
160.01595	0.7
161.04500	6.5
161.61855	0.2
162.04886	0.3
169.12277	0.3
173.04538	0.8
175.04027	1.0
179.05588	0.6
185.11861	1.0
187.13361	11.2
188.13814	0.5
191.05592	0.4
193.04971	0.4
275.29230	0.3
331.17691	11.1
332.18176	1.3
349.18744	18.2
350.19003	2.0
355.10614	0.4
391.19821	4.0
391.24237	0.4
392.20325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.7
59.01266	79.6
61.98716	8.1
67.62795	1.3
69.03320	1.7
69.74303	6.7
69.74725	2.5
71.01251	3.4
71.04910	12.7
72.99200	1.7
78.95802	3.5
83.04906	2.1
85.02872	1.8
88.57759	1.5
93.03354	2.1
93.06971	1.6
93.15025	1.4
95.04864	2.2
95.32562	1.8
97.06503	4.4
98.19833	1.9
101.02357	1.4
107.04988	1.7
119.08616	2.4
121.02887	11.0
121.10133	9.3
123.08105	1.9
125.09661	8.5
128.13423	1.6
137.09648	14.1
147.08113	3.2
149.09644	1.4
161.04559	1.4
171.10231	21.9
181.12386	1.9
181.18378	1.3
185.11877	9.2
197.11763	1.7
207.10048	4.1
207.13972	1.7
209.11775	1.8
211.13437	1.6
228.49637	1.3
235.16954	2.0
237.15163	1.6
244.38609	1.5
245.19191	7.9
251.16531	26.0
255.13689	1.7
273.85785	1.5
284.14166	1.7
291.14789	1.6
291.19699	43.4
292.20068	5.6
309.20786	100.0
310.21164	12.4
313.17917	99.7
314.18344	12.5
331.18619	16.7
332.18796	2.1
373.18570	7.7
374.18927	1.9
375.17877	5.6
391.21005	25.6
392.20340	2.9
392.24588	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	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20991	0.3
57.03337	0.5
59.01264	100.0
60.01587	1.5
70.45824	1.1
71.01265	4.9
73.02847	0.7
81.03397	0.3
82.32862	0.3
85.02837	1.6
87.00785	0.5
89.02330	6.1
89.02842	0.5
89.12579	0.3
93.03382	0.4
95.01297	0.4
96.95891	0.4
98.19893	0.4
99.00827	0.4
101.02349	4.2
111.00819	0.3
113.02351	2.1
119.03403	2.8
143.03461	0.5
149.04834	0.3
149.06036	1.4
161.01451	0.3
161.04472	2.0
173.04596	1.0
179.05580	1.4
183.17488	0.3
215.24641	0.3
260.00507	0.3
264.40131	0.3
268.22531	0.3
271.38275	0.3
280.61078	0.3
309.24551	0.4
314.90604	0.3
331.17685	2.2
349.18903	0.3
391.19351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.3
57.03323	1.7
58.00488	1.5
59.01263	100.0
60.01607	1.4
61.98732	0.4
63.88569	0.3
69.03334	1.2
71.01270	39.8
72.01617	0.7
72.99196	2.0
73.02834	16.2
74.03198	0.3
74.53199	0.3
75.00755	0.9
81.03338	0.5
83.01273	6.0
85.02840	13.5
85.99979	0.6
86.03188	0.4
87.00233	0.6
87.00769	11.1
87.04420	0.6
89.02339	12.1
89.41232	0.3
93.03318	0.7
95.01289	2.3
96.95913	0.5
97.02833	1.2
99.00776	3.2
99.04436	0.4
101.02345	28.5
102.02659	0.6
108.88013	0.4
111.00790	1.4
113.02353	13.6
114.02673	0.3
115.03936	0.5
115.07523	0.7
119.02602	0.3
119.03415	5.3
119.72145	0.3
125.02335	1.0
129.01804	1.0
131.03380	0.7
135.04427	0.5
141.01808	0.6
141.09145	22.3
142.09441	1.1
143.03450	2.0
143.10696	2.8
149.04396	0.7
153.12723	1.2
159.02956	1.7
161.04495	12.8
162.04799	0.5
167.10631	1.2
169.12120	0.4
173.04391	1.1
179.05469	0.9
185.11647	0.6
187.09677	0.6
187.13220	1.3
191.05537	0.4
203.05522	1.5
221.11795	0.4
229.14354	0.4
255.03040	4.8
256.03348	0.9
259.15375	1.3
283.15436	0.8
301.16302	1.0
331.17670	10.2
332.17804	0.8
340.20169	0.3
349.18741	33.3
350.19104	3.1
391.08316	2.6
391.16278	0.6
391.19934	2.6
391.27304	2.7
392.08182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.7
55.19551	0.2
57.03336	1.8
58.00479	0.9
59.01266	100.0
60.01608	1.1
69.03335	0.8
70.50699	0.5
70.51068	0.6
71.01271	35.4
71.03397	0.3
72.01608	0.8
72.99200	1.3
72.99543	0.2
73.02838	15.4
74.03167	0.3
75.00751	0.6
79.95641	0.4
80.81561	0.3
81.03353	0.4
81.39534	0.3
83.00817	0.4
83.01282	5.5
83.01780	0.4
85.02843	11.8
85.99973	0.4
86.03165	0.4
87.00774	8.4
87.04413	0.5
89.02338	9.4
95.01284	2.2
97.02852	1.5
99.00777	3.1
99.04411	0.3
101.02347	22.5
102.02656	0.5
111.00799	6.7
113.02357	10.5
113.51211	0.3
114.02680	0.3
115.07541	0.9
119.03417	3.5
125.02342	1.4
127.11191	0.6
129.01842	0.7
131.03426	0.5
141.01888	1.3
141.09146	18.4
142.09435	0.9
143.03464	2.0
143.10715	4.0
149.04420	0.4
153.12749	0.5
159.02922	1.7
161.04515	10.6
167.10715	0.7
169.12172	0.5
173.04416	0.4
179.05527	0.9
187.09753	0.4
187.13417	1.3
187.74954	0.3
189.14830	0.8
203.05472	1.1
205.03456	0.3
210.63173	0.3
239.12883	0.3
259.15561	1.3
259.21115	0.3
259.60107	0.3
271.15302	0.4
283.15314	0.4
301.16718	1.5
331.17685	5.9
332.17719	0.6
349.18750	29.2
349.25082	0.8
350.19104	2.8
391.19794	2.6
392.19727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83553	0.7
56.08657	0.8
59.01265	100.0
70.07640	4.1
99.83461	0.8
102.36343	0.8
128.68520	0.7
292.73392	1.1
294.55603	0.8
310.00122	0.9
387.34012	0.9
389.19391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.4
60.01568	0.2
61.98717	100.0
69.57079	0.6
69.57509	1.1
73.63235	0.2
168.11087	0.2
176.86145	0.2
195.22868	0.2
285.42410	0.2
323.48895	0.2
327.22064	0.4
329.85062	0.2
382.29449	0.3
391.17984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33748	0.2
59.01267	4.1
60.12362	0.2
61.98718	100.0
71.04893	0.3
80.02554	0.3
87.00785	0.6
96.95939	0.5
97.06487	0.6
109.06511	1.0
121.06532	0.4
122.06894	0.6
125.09655	1.1
127.07580	0.3
139.07684	0.3
139.11252	0.6
168.94057	0.3
171.10240	1.0
173.46057	0.3
183.10252	0.3
185.11771	0.3
186.12079	0.3
187.09798	0.5
193.08606	0.2
201.11270	1.3
207.10150	0.4
208.10260	0.5
217.00327	0.3
236.13774	0.3
257.11389	0.3
258.12119	0.4
267.16037	0.3
275.16760	0.5
293.17664	1.6
308.19757	0.4
311.18655	0.5
319.15573	0.4
330.17523	0.6
331.18381	0.4
337.16818	1.0
355.17612	1.3
391.15375	0.4
403.36227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48683	0.6
55.86459	0.6
57.03338	100.0
58.00478	1.2
58.03671	1.9
59.01264	92.4
60.01583	1.3
71.01269	21.3
71.53139	0.9
73.02837	7.0
81.03347	1.9
83.01285	4.1
85.02841	4.7
85.60896	0.8
86.40797	0.6
87.00761	1.4
89.02338	22.2
93.03349	0.7
95.01283	1.1
99.04417	74.2
100.04748	2.3
101.02343	33.9
113.02348	9.8
119.02741	0.6
119.03426	8.2
123.04397	2.7
125.02370	18.1
125.03291	0.7
126.02681	1.0
130.44864	0.7
131.03366	1.9
134.03787	0.8
143.03432	4.2
149.04443	2.0
161.04465	5.8
173.04446	1.6
179.05591	6.6
196.59248	0.8
247.09706	0.7
247.11899	7.3
289.12866	1.3
296.83981	0.7
299.53659	0.7
320.50690	0.7
329.15805	1.4
331.17310	1.1
381.78223	0.6
391.15735	3.1
391.19849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	100.0
57.27342	0.5
58.03672	2.0
59.01264	92.3
60.01617	1.1
60.20733	0.8
67.79947	0.6
69.03351	0.6
69.27740	0.6
71.01270	21.1
71.57374	1.0
72.99178	1.4
73.02839	6.1
75.00780	0.7
81.03348	1.5
81.63347	0.5
83.01272	3.4
85.02843	12.1
87.00771	1.2
88.60622	0.5
89.02339	4.4
89.51635	0.5
93.03350	0.9
95.01248	1.2
95.04911	0.8
97.01086	0.8
97.02843	0.9
99.00794	3.7
99.04418	74.1
100.04720	2.4
101.02345	31.5
113.02354	8.7
119.03379	1.7
123.04416	1.0
123.99594	0.6
125.02365	18.8
126.02652	0.7
131.81276	0.6
135.04396	0.6
143.03423	3.1
149.57950	0.6
151.00291	0.6
159.02811	1.7
161.04506	10.3
173.04373	1.7
191.05409	1.1
228.07599	0.9
247.11888	24.9
248.11906	1.0
249.06071	0.7
271.08438	4.5
289.12497	3.1
326.06870	0.6
329.15479	2.0
331.17267	1.1
391.11365	2.0
391.15359	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	387.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27996	16.4
59.01264	100.0
67.63735	14.5
71.01270	18.6
72.61176	15.7
89.02358	21.5
98.20568	37.5
98.45657	16.6
100.51241	15.4
149.02457	15.5
332.96988	17.3
387.25235	30.7
408.31668	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	387.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	100.0
71.01265	48.8
85.02846	36.8
86.37667	23.2
89.02330	29.5
93.61309	20.7
98.19765	43.5
101.02328	24.6
161.04457	36.7
162.58601	21.4
186.89085	24.4
380.73672	29.5
387.25424	44.1
409.05914	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	388.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35259	0.3
59.01268	1.7
61.34329	0.3
61.98714	0.9
62.56691	0.3
63.96123	0.4
70.91502	0.5
70.91838	0.5
74.98996	0.4
80.23692	0.3
93.03354	0.8
94.69339	0.3
128.25714	0.3
130.83565	0.3
152.39534	0.3
159.36446	0.4
175.03760	0.3
251.04108	0.7
268.04785	0.3
268.07620	0.4
269.08481	0.8
285.03946	0.4
291.50589	0.3
296.07230	2.1
301.03104	0.4
302.06760	0.4
303.04880	0.5
310.08853	1.7
311.09576	2.5
312.09857	0.4
316.04367	0.5
317.06265	0.3
318.06082	1.6
319.06476	0.4
328.04465	0.5
329.05237	5.7
330.05432	0.8
343.06882	1.2
344.07571	100.0
345.07895	13.0
345.12137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08060	0.3
59.01258	1.0
61.98716	100.0
71.29896	0.6
325.20633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1744
Annotation	Licoflavone B
Peak:m/z	Relative Intensity
59.01261	1.5
61.98699	0.5
62.96283	0.2
69.03361	0.1
70.77272	0.1
71.01251	0.3
71.59550	0.1
78.95793	100.0
80.91344	0.1
83.42962	0.1
89.02343	0.2
96.96861	8.8
152.07054	0.1
152.70303	0.1
199.77371	0.1
217.06274	0.3
302.11719	0.1
329.16153	0.1
371.16348	0.4
389.17413	10.7
390.17822	1.3
401.68539	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	389.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01597	1.4
61.98719	50.8
69.03355	0.8
71.01271	3.1
71.52032	1.1
73.87264	0.6
78.95801	2.3
84.71254	0.7
87.00807	0.9
89.02352	2.7
95.01954	0.5
101.02371	1.9
113.02374	2.2
119.03435	0.7
143.03398	0.7
161.04578	1.8
167.10735	38.7
168.11121	2.4
196.95721	0.6
209.11870	1.6
329.16214	1.2
342.16037	0.7
389.17264	0.8
400.06180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1827
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01757	1.2
57.03324	1.4
58.00450	0.9
59.01266	74.9
60.01585	1.8
61.01668	1.2
67.01764	0.6
69.03333	1.5
70.06503	3.2
71.01268	18.7
72.01615	1.0
72.99170	0.9
73.02826	4.5
83.01276	2.0
85.02835	6.5
87.00747	1.3
89.02341	12.1
90.02653	1.0
91.02724	0.8
93.03352	2.8
95.01263	1.2
97.02841	0.9
98.20470	1.0
99.00758	2.4
101.02343	12.2
102.02670	0.8
113.02359	8.2
114.02715	0.9
119.03413	4.7
128.11926	0.6
135.04445	2.9
143.03378	1.1
155.03450	0.6
161.04460	3.4
163.04936	0.7
167.10681	0.6
173.04497	9.0
179.03441	0.9
179.05504	1.9
185.00864	0.8
191.05582	3.9
209.11861	1.2
211.46103	0.5
227.12794	1.8
329.15976	2.1
347.16852	1.4
353.08792	4.4
371.17255	0.8
389.18134	100.0
390.18524	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	3.5
55.32915	0.5
55.78159	0.5
57.03340	6.0
58.00487	3.6
59.01264	79.4
60.01605	1.1
69.03346	7.1
70.34311	0.6
70.34646	2.0
71.01270	100.0
71.04910	1.3
72.01604	2.5
72.59120	0.5
72.99194	5.5
73.02836	18.9
75.00755	1.6
81.03357	0.9
81.07016	0.6
83.01280	8.8
83.04913	3.1
84.02040	1.1
85.02840	31.3
86.03187	1.2
87.00774	5.4
89.02336	56.1
90.02671	1.2
93.03355	0.9
95.01287	6.6
97.02841	3.2
99.00774	9.0
99.04398	0.8
101.02346	56.0
102.02682	1.3
107.04926	1.5
111.04415	0.7
113.02356	42.1
114.02681	1.1
119.03416	20.3
121.06496	2.5
121.10167	1.1
123.08076	42.9
124.08398	2.1
125.02355	1.9
129.01866	0.9
131.03421	2.2
135.04462	0.7
137.06026	0.6
137.08698	0.9
137.09654	11.9
138.06772	1.9
138.10019	0.9
139.00284	0.5
139.07466	0.8
141.01761	0.6
143.03432	5.9
149.04497	2.0
151.07581	1.1
152.08379	4.2
153.09175	4.6
154.09496	1.5
155.08559	0.7
155.09666	1.2
155.10765	1.0
159.02939	5.9
161.04500	26.0
162.04874	1.1
163.11235	36.7
164.11551	2.0
165.09158	1.3
171.11746	2.7
173.04541	1.4
173.09677	3.4
179.05550	6.7
185.00932	4.1
187.11169	0.7
189.12817	54.6
190.13173	4.0
191.05536	0.6
205.03467	0.8
207.13895	82.5
208.14275	6.0
223.13481	0.6
225.14975	13.1
318.97208	0.5
387.12662	1.3
387.20416	26.5
388.20764	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	389.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01597	1.2
79.95635	1.1
80.96429	1.6
91.54475	0.5
94.97980	0.6
98.19769	1.1
151.11446	0.5
169.12344	0.8
170.83511	0.6
225.00949	0.8
243.57506	0.5
389.19128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64939	0.4
51.42354	0.3
54.49027	0.4
57.03329	1.0
59.01263	83.9
60.01592	1.1
61.19838	0.4
61.98730	0.8
63.53566	0.4
63.96146	0.4
69.96947	1.7
69.97349	0.9
79.95641	0.8
85.02842	13.2
86.03167	0.4
87.00841	0.4
98.19809	0.7
99.08063	6.5
101.02357	0.4
113.09574	0.4
185.11795	8.4
203.12871	100.0
204.13206	6.2
237.82092	0.4
245.14168	0.5
253.68083	0.4
331.95859	0.5
358.33850	0.5
389.25867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.6
57.03338	3.7
58.00478	5.6
59.01263	100.0
60.01601	1.3
65.80598	0.5
68.99714	0.6
69.03337	2.1
71.01268	88.4
71.06590	1.4
72.01613	1.3
72.99200	6.7
73.02833	10.8
75.00761	1.0
80.83527	0.7
83.01270	7.6
84.02043	0.5
84.07787	0.6
85.02841	25.0
86.03186	0.9
87.00757	5.0
89.02337	88.1
90.02679	1.3
93.03356	0.9
95.01285	7.1
97.02838	1.4
98.30289	0.5
99.00774	5.4
101.02346	57.8
102.02719	0.6
111.00786	1.0
113.02356	38.8
114.02685	1.5
119.03418	35.8
120.03745	0.9
125.02354	1.5
129.01897	0.7
131.03397	4.0
134.55058	0.6
137.02417	1.2
137.09654	1.2
143.03410	6.2
149.04482	2.4
151.07579	0.7
152.08385	8.3
153.09181	1.1
155.10715	1.0
159.02904	3.4
161.03209	1.2
161.04500	20.5
162.04803	1.0
163.11232	1.0
173.04466	0.9
179.05565	10.9
185.00943	1.3
189.12852	1.3
191.05457	0.7
205.03482	0.6
207.13922	2.8
210.12564	0.8
225.14961	12.7
226.15434	0.8
227.12910	0.6
336.23758	0.6
372.17902	1.0
387.20340	64.1
388.20718	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2037
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01774	2.7
57.03347	3.7
58.00481	3.2
58.02044	0.6
59.01266	72.7
60.01603	1.3
69.03346	2.1
71.01271	49.5
71.56111	0.8
72.01610	1.2
72.99206	4.4
73.02840	9.4
75.00785	2.1
83.01283	6.2
84.02068	0.6
85.02841	18.7
87.00775	3.3
88.53278	0.6
89.02339	33.7
90.02685	0.7
93.03358	1.6
95.01288	4.2
96.95943	1.2
97.02853	1.3
98.81927	0.6
99.00781	3.8
99.01337	0.6
99.04475	0.6
101.02350	35.3
102.02687	0.8
107.04910	0.5
111.04466	0.8
113.02351	19.4
119.03423	14.9
121.02879	1.3
123.04433	1.1
123.08096	1.0
125.02415	1.0
129.01843	0.6
131.03447	1.1
135.04417	0.7
137.09691	0.9
143.03429	1.5
149.04515	1.5
151.11247	0.5
152.08435	1.5
153.12799	0.6
159.02972	1.1
161.02478	0.7
161.04506	8.6
163.11324	0.8
165.09206	1.8
173.04541	1.7
179.05583	2.1
179.14499	0.5
181.12325	0.8
189.12962	0.7
191.05548	0.8
191.65042	0.6
195.08171	0.8
195.13966	1.5
197.15492	1.6
207.13942	2.1
214.91164	0.5
225.14957	13.6
226.15242	0.9
237.09103	0.6
283.09686	0.9
285.09937	1.2
301.16815	1.3
315.12579	2.5
387.20361	100.0
388.15952	0.7
388.20685	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	387.157
Annotation	GS-3
Peak:m/z	Relative Intensity
52.49686	0.4
57.03343	0.6
59.01271	4.1
69.03344	1.9
71.01280	3.6
71.58049	0.6
71.58423	0.7
82.79185	0.4
83.44922	0.4
85.02847	1.1
87.00740	0.5
87.82597	0.4
89.02345	1.1
93.03380	0.6
94.06537	2.0
96.95927	0.8
99.00768	0.6
101.02342	1.4
104.04961	0.5
106.06516	0.7
107.03671	8.3
108.02077	0.5
109.02901	0.6
120.04452	1.3
121.02876	1.1
121.05263	0.5
122.06039	49.7
123.06356	2.3
130.02933	2.4
131.03687	4.8
132.04485	9.3
134.03677	8.2
134.06033	1.6
135.04422	1.3
139.02682	3.4
141.01727	0.5
144.04509	0.5
146.06046	2.6
147.03171	0.8
148.04054	2.2
149.06006	6.8
150.03169	3.9
150.05557	0.9
151.03856	0.6
152.07115	100.0
153.07468	4.6
158.02422	12.2
160.03999	1.3
160.05193	0.7
161.04562	0.6
162.05525	5.5
164.07184	1.0
165.05507	2.5
166.04956	0.8
173.04504	1.1
175.02647	0.5
175.07568	0.7
176.03455	3.4
177.05409	0.6
179.03455	0.9
181.12378	0.4
190.05072	51.2
191.05461	3.3
192.06622	0.9
193.05144	0.5
219.06734	2.1
222.07724	44.8
223.08018	2.8
225.14998	1.0
234.07750	2.3
237.07750	4.1
237.10030	0.6
259.13879	1.1
265.09857	0.6
295.11029	0.6
296.11737	0.9
325.11938	0.6
327.13766	0.5
355.13113	3.9
356.13724	0.7
359.16165	1.3
360.16678	0.6
387.15707	96.1
387.19885	3.3
388.16043	11.6
388.20413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.167
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03334	0.7
57.81303	0.5
58.00474	1.4
59.01266	53.5
59.23046	0.6
60.01574	0.7
61.98702	0.8
68.07346	0.6
69.03339	1.3
71.01270	17.3
71.57016	0.8
72.99199	2.1
73.02856	1.3
74.15456	0.6
75.00778	0.7
81.03329	0.8
83.01294	0.7
85.02847	4.7
87.00784	1.1
89.02337	17.1
93.03371	3.4
95.01273	1.1
95.04929	0.7
96.95924	0.8
99.00799	0.7
99.32288	0.5
101.02343	12.4
107.04937	0.5
108.02059	0.7
109.02872	0.7
113.02375	5.8
119.03424	5.5
120.01137	0.6
123.04474	3.1
133.02905	1.5
135.04433	1.1
143.03455	0.5
149.02400	0.8
151.03973	2.3
155.03360	0.7
161.04497	1.1
163.11235	26.0
164.11623	1.5
173.04549	5.8
174.04855	0.6
177.01906	2.8
179.05655	0.6
182.27559	0.5
185.38608	0.5
190.98679	0.5
191.05568	6.4
192.04305	5.9
192.05954	0.9
207.06635	13.4
207.10185	0.6
208.06898	1.2
387.16718	100.0
388.17059	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	385.1878
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
54.40068	0.5
55.01779	0.9
57.03328	1.3
58.00479	3.3
59.01266	80.9
59.03663	0.5
60.01592	0.9
69.03359	0.7
70.92538	1.4
71.01271	53.7
71.27303	0.5
72.01621	1.0
72.99195	4.4
73.02832	3.2
75.00753	0.7
78.39306	0.5
81.03374	0.7
83.01283	3.4
85.02843	13.3
87.00739	2.5
89.02338	54.5
90.02683	1.1
95.01289	4.4
96.78736	0.5
97.02853	0.6
99.00789	0.8
101.02344	33.1
102.02699	1.3
109.02859	0.6
113.02355	20.4
113.14497	0.5
114.02687	0.9
119.03423	25.1
120.03793	0.7
125.02364	1.4
131.03416	1.0
137.02374	3.5
138.19746	0.6
143.03441	2.6
149.04507	1.4
150.03189	1.0
161.04501	5.0
164.53986	0.6
165.01897	1.6
167.68436	0.5
169.44003	0.5
179.05629	4.0
179.14362	0.8
223.13441	0.8
231.74348	0.5
264.78412	0.6
269.04407	0.6
287.05756	0.7
355.02921	0.5
385.18762	100.0
386.19101	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	387.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.6
57.03329	0.6
58.00487	1.3
59.01266	63.1
60.01606	0.7
69.03355	1.7
69.50123	0.7
69.50528	1.4
71.01271	18.5
72.01619	0.5
72.99195	2.0
73.02843	1.0
83.01285	1.2
85.02842	4.4
87.00765	0.9
89.02339	17.7
91.52802	0.2
95.01286	1.6
96.95921	0.5
98.20576	0.5
99.00780	1.0
101.02345	11.7
102.93179	0.3
109.06516	0.5
113.02357	7.7
114.02686	0.3
119.03419	7.1
119.11243	0.3
124.77101	0.2
129.99480	0.3
131.03438	0.7
139.00383	0.3
143.03459	0.9
145.10193	0.3
149.04523	0.5
161.04510	1.8
163.11229	4.5
173.04527	0.6
179.05609	1.6
185.00844	1.3
191.05640	0.4
206.02812	0.5
207.03014	0.5
207.10260	11.8
208.10619	1.0
225.11420	0.4
225.14920	0.4
259.29486	0.2
269.07718	0.4
385.56540	0.3
387.16663	100.0
388.16989	11.2
388.21954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	1.1
63.34414	0.2
69.03346	0.4
69.46220	0.2
69.48022	1.9
71.01273	0.8
72.15946	0.2
73.02843	0.5
74.28261	0.2
83.11700	0.3
83.15250	0.2
89.02348	0.8
98.20573	0.2
101.02363	1.1
109.17886	0.2
113.02339	0.4
113.68465	0.3
129.39485	0.2
185.00899	0.4
190.88127	0.3
193.05499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.4
59.01264	100.0
60.01604	1.0
61.86498	0.2
61.98708	0.3
63.12858	0.3
69.03342	1.9
69.54557	2.0
69.86358	0.3
71.01274	1.6
72.99171	0.3
73.49947	0.2
75.00772	0.6
83.01266	0.3
85.02856	1.1
87.00790	0.4
89.02305	0.6
91.05423	0.3
95.01317	0.4
99.00802	0.9
101.02393	0.4
113.02364	1.2
117.92734	0.2
125.78780	0.3
135.04439	3.5
137.02364	0.3
163.23959	0.3
171.95374	0.3
173.04536	0.5
185.00929	1.2
191.05655	0.3
204.07071	0.3
249.06250	1.6
347.88776	0.3
385.11243	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90573	0.4
55.01762	0.6
57.03339	0.9
57.48932	0.4
59.01264	100.0
60.01603	1.1
61.98750	0.4
69.03353	2.0
71.01267	7.6
72.99191	0.9
73.02839	1.3
78.86441	0.4
83.01304	0.9
84.67714	0.4
85.02834	2.3
85.09039	0.4
87.00764	0.7
89.02351	5.9
93.03387	0.7
93.70611	0.4
95.01284	0.7
96.95927	0.6
97.02868	2.0
99.00784	0.6
101.02344	4.9
107.33111	0.5
108.02089	1.6
113.02353	5.5
119.03411	2.8
120.03687	0.5
123.04438	0.6
131.03468	0.8
135.04480	0.8
135.08127	0.5
137.02409	0.7
138.39571	0.4
141.01907	1.3
143.03461	0.7
149.04555	0.8
152.01131	0.9
153.09184	0.6
159.02959	0.5
161.04533	1.2
163.06177	0.5
173.04578	1.0
179.05630	0.9
185.00929	1.2
191.05602	0.6
199.13347	0.7
203.02150	0.5
205.12355	1.3
211.75098	0.5
223.13423	0.9
385.12103	0.6
385.18845	1.1
385.22977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1666
Annotation	3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
59.01266	100.0
60.01597	1.0
61.98708	3.8
63.85271	1.1
69.03340	1.5
71.01249	2.2
71.58325	1.0
83.01277	3.0
85.02806	0.9
93.03346	4.8
95.01331	1.2
101.02374	0.9
108.02094	1.1
109.02859	3.2
109.55207	0.9
119.04939	2.7
121.02865	1.9
122.03623	0.9
123.04493	1.5
125.02377	1.7
134.03700	6.7
135.04454	4.0
137.02377	12.6
145.02888	2.7
145.06540	10.5
147.04375	1.1
147.08080	1.2
148.05261	1.0
149.02399	1.6
149.05994	7.7
150.03192	5.5
159.04466	28.3
160.05257	14.3
161.06035	12.3
162.03136	5.2
163.03970	5.8
165.01852	3.2
171.08124	3.9
173.06046	2.4
175.07600	16.1
176.04797	6.1
177.05544	8.1
185.06059	14.5
186.06841	68.0
187.07285	6.7
191.07124	11.3
193.08699	1.6
201.05589	19.4
201.09195	73.7
202.06342	17.0
202.09419	4.6
203.07117	12.0
204.07555	1.3
217.08698	20.0
218.09038	2.5
219.10258	1.9
259.06073	1.0
267.07257	0.9
281.11926	2.7
287.05630	2.6
288.06351	1.0
292.11148	3.7
307.13480	23.6
308.13803	3.0
325.14551	6.7
352.13193	1.4
367.15521	13.0
368.16068	2.4
385.16699	73.3
386.17099	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	387.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44779	3.5
54.66981	3.3
56.35963	3.4
59.01267	76.2
60.99192	6.3
61.98725	27.6
71.01276	6.1
71.58459	5.2
85.02868	8.0
89.02332	8.7
96.17242	3.4
96.95909	4.0
99.00546	69.5
101.02337	6.9
106.65321	3.4
113.02116	56.9
141.01627	6.6
142.99561	14.1
149.16219	3.4
157.01131	13.7
161.84044	3.3
173.04326	3.3
188.98424	3.7
203.08685	26.1
205.10126	8.5
217.10236	29.8
219.08115	5.9
223.13298	3.6
233.09738	100.0
234.10147	10.1
247.07698	46.5
248.08002	4.6
251.10841	5.1
261.09235	57.2
262.09601	6.0
276.67374	3.5
277.08734	71.5
278.09094	10.4
305.08255	36.0
305.13879	3.8
306.08841	4.3
376.62814	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1878
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01757	1.7
57.03333	3.0
57.48516	0.3
58.00484	2.7
59.01263	46.4
60.01594	0.6
61.98714	0.5
63.43736	0.2
67.01774	0.3
69.03337	2.5
69.49039	0.8
69.49461	1.3
71.01269	66.3
72.01610	1.0
72.99192	4.0
73.02835	11.6
74.03169	0.3
74.23213	0.3
75.00773	0.9
80.02569	0.5
81.03368	0.4
83.01276	5.2
83.04912	0.9
84.02061	0.3
85.02844	19.8
86.03159	0.4
87.00774	3.7
87.50539	0.3
89.02337	32.3
90.02674	0.5
93.03343	0.9
95.01281	4.4
95.04899	1.6
96.01691	0.3
97.02852	5.8
99.00782	5.6
99.04398	0.4
101.02347	34.7
102.02699	0.9
104.06483	0.3
105.07006	1.1
107.04955	0.6
108.05719	2.8
109.02889	0.8
109.06512	1.2
111.00799	0.5
111.04446	1.4
111.08065	0.6
113.02357	28.2
113.05990	3.4
114.02683	0.6
119.03418	10.9
121.02897	2.0
121.06489	0.6
122.03654	2.1
123.04483	0.4
123.08067	4.2
124.05281	0.3
125.02389	1.3
125.06007	2.8
129.01857	1.0
131.03427	1.2
134.03653	0.4
135.08131	0.6
136.05246	3.3
137.02382	0.4
137.06021	1.5
138.06801	19.8
139.03922	0.3
139.07607	9.1
140.07945	0.5
143.03416	3.4
143.82622	0.3
147.08122	0.7
149.04543	0.5
149.06007	1.2
151.07588	22.7
152.04808	2.6
152.08374	46.4
153.09151	100.0
154.09494	5.5
159.02940	4.8
161.04500	19.6
161.09639	0.5
162.04855	0.8
163.11261	3.2
165.05539	0.5
165.09138	1.9
167.07098	2.2
168.07544	0.3
173.04524	2.9
174.04852	0.3
179.05568	3.6
179.10770	0.4
185.00916	1.2
187.11301	0.7
189.09154	1.0
190.10005	1.9
191.05669	0.6
200.47983	0.2
205.03505	0.8
205.12321	32.2
206.12639	2.9
211.06032	0.5
213.28651	0.3
223.13400	18.5
224.13771	1.3
229.81181	0.3
250.36189	0.3
271.02621	0.4
280.60538	0.3
300.02917	0.5
301.03403	0.4
304.07050	1.3
385.11182	0.7
385.18768	10.7
386.11911	0.4
386.19138	1.4
401.34650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.41172	0.6
60.01585	0.6
71.01265	1.2
80.44750	0.6
89.02341	1.1
96.98335	0.5
113.02349	0.7
129.97934	0.8
163.05460	0.6
268.16385	0.6
322.27643	0.7
323.09851	1.0
335.31750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
59.01271	8.6
60.96781	0.8
61.98730	0.7
67.01778	4.7
69.03344	3.2
69.66521	5.3
71.01274	7.4
72.99210	1.5
73.02828	1.5
81.03355	1.3
83.01263	1.2
83.04929	1.8
85.02844	5.8
87.00787	6.0
89.02348	2.6
93.03360	29.1
94.03705	1.1
95.01292	1.3
95.04962	1.1
95.42019	0.7
97.02850	1.6
98.20542	1.0
99.00775	2.6
99.04413	0.9
99.79576	0.7
100.47020	0.7
101.02341	3.3
105.03371	1.2
109.02841	2.0
110.19150	0.7
111.00809	1.4
111.04423	7.0
113.02362	2.8
119.03534	0.8
121.02840	1.6
122.03649	2.5
123.00812	1.3
124.01580	1.7
127.00311	4.2
127.03926	1.1
129.01833	0.8
133.02858	5.1
134.03648	1.3
135.04434	1.8
136.05243	1.3
137.02367	5.3
141.01912	1.7
149.02315	2.0
150.03171	29.2
153.01909	1.3
153.09186	1.1
155.03426	4.5
163.03960	1.0
165.05525	18.8
165.09152	1.9
166.05867	0.9
173.04514	100.0
174.04834	4.5
177.01895	0.8
179.10733	1.0
185.00908	1.2
185.06013	1.0
189.04041	1.0
191.05586	20.3
192.05966	1.2
193.05009	0.8
194.02235	4.1
203.02069	1.8
203.10751	1.0
209.04541	20.9
210.05000	0.9
221.11853	2.5
229.05180	1.7
241.24352	0.8
245.11861	0.9
263.12903	0.8
353.16095	1.1
383.09729	3.2
383.17633	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	383.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93288	0.5
54.73170	0.5
55.01767	3.0
57.03314	0.6
59.01266	4.3
59.56099	0.4
60.87700	0.5
61.98743	0.5
63.36032	0.4
67.01789	0.7
69.03343	100.0
70.03687	2.5
71.01272	4.0
71.07078	1.1
72.65539	0.4
72.99202	2.1
75.16400	0.4
78.95790	1.0
79.01797	1.5
85.02839	2.2
89.02335	1.6
93.03362	0.7
95.01279	2.8
97.02851	22.1
97.03490	1.1
98.03217	1.0
99.00780	25.1
101.02352	1.2
112.03936	0.4
113.02369	1.7
119.03418	0.6
123.00851	1.2
137.02376	0.5
141.01863	7.7
153.09140	1.6
161.04575	0.5
167.06120	0.6
173.04535	1.3
177.69366	0.5
180.93045	0.5
185.00888	59.6
186.01224	2.7
191.05722	0.5
203.01970	4.5
256.42511	0.4
383.09879	8.2
383.17200	1.0
384.10126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92565	0.3
58.00481	0.6
59.01263	13.1
60.20209	0.3
60.84901	0.3
64.75006	0.3
68.99705	29.4
69.03346	1.6
69.26392	3.3
70.00031	0.5
71.01268	9.4
72.99194	0.8
73.02833	6.0
78.95821	0.3
80.96422	0.4
83.01277	0.4
85.02837	1.8
86.12462	0.2
87.00789	0.4
89.02341	12.0
90.95499	0.3
95.01289	0.7
96.95918	0.6
97.02856	0.4
99.00781	100.0
100.01109	2.2
101.02345	3.6
113.02361	4.3
117.01845	1.1
119.03422	3.9
122.15881	0.3
131.03424	0.4
141.01903	0.6
143.03439	1.0
149.04552	0.4
155.24934	0.3
158.09149	0.3
161.04547	1.0
164.04607	0.3
175.03935	0.4
179.05594	2.5
185.00908	0.9
197.57790	0.3
242.72482	0.3
280.25464	0.3
287.35431	0.3
292.75552	0.3
323.09689	0.4
383.13611	1.4
383.20789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01599	1.1
69.03346	0.4
70.97646	0.6
71.01290	0.6
73.02839	0.4
77.38013	0.2
85.02875	0.2
89.02381	0.2
93.03370	0.3
99.04429	0.5
101.01799	0.2
101.02366	1.3
107.54224	0.2
113.02380	0.3
123.04463	0.3
127.00275	0.3
135.04443	0.3
173.04585	0.7
191.05629	0.4
191.86888	0.2
216.48248	0.2
280.48270	0.3
314.59274	0.2
329.15933	0.3
341.82391	0.2
381.12012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66080	0.7
59.01258	6.4
64.73319	0.7
66.84104	0.7
71.01289	0.6
78.95798	0.9
95.04890	0.7
96.95879	1.2
97.02861	1.6
98.20553	2.4
109.06457	0.8
123.04415	1.7
123.08061	1.2
125.16632	0.7
135.04411	1.0
137.09653	1.0
139.11224	0.9
142.02620	0.7
149.09628	0.6
151.11244	4.0
152.08344	0.9
153.09174	0.8
153.12752	0.9
171.10210	1.1
174.99191	1.0
177.12729	0.9
185.11827	1.8
195.13815	2.5
199.49931	0.9
203.31119	0.8
211.80469	0.7
217.00255	3.0
221.11758	3.2
239.12915	1.6
240.13684	2.9
247.20668	6.2
262.70547	0.7
273.18665	1.4
291.19717	100.0
292.20059	11.2
309.20779	57.8
310.21143	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	381.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68749	0.6
53.32750	0.6
57.03317	1.4
59.01263	10.0
62.01284	0.6
69.25616	8.1
69.87144	0.6
71.01221	0.7
73.47636	0.6
83.04910	0.8
94.84486	0.7
96.09258	0.6
96.95901	1.6
98.19745	1.4
98.71729	0.7
107.08572	3.3
111.08058	0.8
117.79273	0.6
123.08141	1.4
123.42161	0.7
125.09633	1.3
132.98225	0.7
137.09654	1.2
139.11244	3.9
141.59518	0.6
148.44298	0.7
155.10712	1.6
167.10710	1.9
171.10304	0.9
174.99171	1.6
177.70795	0.6
185.11655	1.5
199.13397	1.4
200.10397	0.6
201.11299	0.9
213.11310	2.6
214.12021	2.3
217.00298	7.5
218.00594	1.0
229.12193	0.8
240.13641	1.2
247.20576	1.8
273.18893	0.7
291.19751	18.7
292.20087	1.8
309.20782	100.0
310.21130	10.0
367.08273	0.7
369.77853	0.7
381.12341	0.8
389.53693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.7
58.00471	1.9
59.01266	38.8
62.82360	1.6
68.99712	2.4
69.03348	3.4
71.01267	42.1
71.07134	1.8
71.07441	2.5
72.99185	6.1
73.02831	4.2
75.00761	16.6
78.24141	1.4
83.01264	1.7
85.02844	30.7
87.00768	11.7
89.02333	18.7
91.05426	17.0
93.03359	5.4
95.01274	9.6
97.02859	2.7
99.00779	14.0
101.02333	5.4
103.00249	3.6
103.47966	1.2
111.00803	1.6
113.02354	45.0
115.00240	3.0
117.01852	4.9
117.03339	5.3
119.03453	2.1
121.02868	39.3
122.03202	2.1
129.01892	2.9
135.04460	9.7
138.06802	2.7
139.07570	1.8
141.01804	1.7
151.07516	4.1
152.08333	6.5
153.09164	16.3
161.04506	2.4
181.08643	4.6
205.07184	2.3
205.12274	5.0
223.13338	3.4
231.04892	2.2
238.53239	1.5
249.06201	38.9
250.06546	1.7
263.07809	7.5
267.07275	100.0
268.07538	7.2
297.04486	1.9
385.06519	3.3
385.11450	52.7
385.19022	3.7
386.12082	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98205	1.3
59.01264	7.8
59.64901	1.5
63.61274	1.5
67.01772	3.4
69.03343	2.8
69.89033	1.5
71.01274	4.4
71.52618	2.6
72.99197	6.2
73.02831	2.4
81.03366	2.9
85.02843	9.2
87.00778	3.3
93.03365	31.2
95.01302	1.6
95.04923	4.3
97.02854	3.6
105.03393	2.0
109.02872	4.5
111.04445	5.7
121.02871	18.4
123.00802	6.5
123.04429	4.4
124.01588	2.6
125.02382	2.3
127.03922	2.0
133.02892	1.7
134.03687	3.3
135.04482	8.1
137.02376	18.3
139.03958	16.6
149.02385	27.7
150.02914	2.1
153.01942	1.9
155.03461	4.6
161.02376	2.4
165.01886	6.5
167.03473	23.6
171.02942	1.7
173.04518	100.0
174.04884	4.9
178.02681	3.4
179.03453	5.7
191.05609	49.6
192.05949	1.8
193.01404	26.9
194.01898	3.2
211.02475	10.2
226.94794	1.4
234.41925	1.7
239.43741	1.4
280.00543	1.7
352.07657	1.9
374.02014	1.6
374.18610	1.4
385.07932	3.0
396.99170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84558	0.5
51.19902	0.4
57.03338	0.6
58.72945	0.5
59.01264	100.0
60.01608	1.0
67.01755	1.2
69.03348	1.3
71.01273	1.4
71.58481	0.6
71.58824	0.7
73.02820	0.7
79.63131	0.5
81.03335	0.9
81.24974	0.5
83.04922	1.4
85.02841	1.3
87.00795	1.5
93.03354	8.4
94.03686	0.5
99.04465	0.4
101.02355	0.7
102.00558	0.5
109.02908	0.9
111.00817	0.7
111.04430	6.7
117.03342	2.3
119.04942	35.2
120.05282	1.7
127.03926	0.7
135.04449	0.9
137.02382	6.4
145.02887	10.7
155.03439	13.8
156.03654	0.8
163.03955	29.4
164.04294	1.7
173.04504	25.2
173.06012	1.1
174.04863	0.9
179.03494	3.3
191.05653	1.7
215.05603	43.2
216.05965	2.0
224.84544	0.5
233.06679	14.7
234.07072	0.9
319.08279	7.1
320.08664	0.9
379.10538	28.1
379.17538	5.6
380.10831	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91368	0.6
55.01772	1.7
57.03337	100.0
58.03687	1.1
59.01262	75.6
69.03342	6.7
69.43219	6.0
71.01271	10.7
71.04931	0.8
73.02841	5.4
83.01267	3.9
85.02837	7.0
95.01326	0.8
97.02859	1.7
98.20550	0.8
99.00211	1.0
99.00778	4.9
99.04418	74.2
100.04753	1.8
101.02345	31.4
102.02724	1.5
111.00747	0.8
113.02372	5.6
119.04948	0.8
125.02363	23.2
125.03247	1.5
128.22437	0.6
128.66595	0.6
143.03468	1.8
161.04483	4.6
175.28156	0.7
185.00880	3.9
209.17056	0.7
235.11897	34.5
236.12338	2.7
277.13116	2.9
317.16342	2.0
379.16257	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	379.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	100.0
58.03674	1.8
59.01265	72.0
67.24506	1.0
69.03336	3.3
70.31499	3.5
71.01272	13.6
73.02843	5.5
83.01285	3.4
85.02856	6.7
89.02323	1.6
89.40979	0.9
95.01242	1.0
97.02803	1.1
97.53092	0.9
99.00793	3.3
99.04420	69.4
100.04790	1.5
101.02347	31.1
110.28108	1.0
113.02345	7.5
117.23304	1.1
119.03394	1.1
125.02366	18.2
143.03481	2.5
159.02908	2.5
161.04488	6.6
185.00874	1.8
235.11874	32.0
236.12302	1.5
277.13132	3.3
317.16223	1.5
379.16193	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	381.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98907	0.9
55.60365	0.9
59.01262	5.3
62.93733	0.9
63.11701	0.9
68.90285	0.8
69.03342	13.0
70.43409	2.0
83.04932	2.3
107.08591	1.8
108.05709	2.4
109.07838	0.8
119.08569	16.9
125.09573	1.6
127.11217	2.2
132.48312	1.0
135.08087	5.5
137.09651	76.6
138.09961	2.6
155.16600	1.0
167.72488	0.9
171.10222	100.0
172.10542	4.7
201.11279	9.9
217.00314	3.3
221.15714	0.9
228.21985	1.1
273.18665	6.0
291.19708	15.9
292.19983	1.4
309.20767	50.0
310.21124	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	377.2318
Annotation	Previtexilactone
Peak:m/z	Relative Intensity
50.02228	0.7
59.01179	21.5
59.01511	3.7
70.82804	2.3
77.30920	0.7
95.04861	1.2
96.95850	0.8
99.07980	0.8
99.92406	1.0
100.71134	0.7
103.74444	0.7
125.09570	1.4
151.11166	1.1
164.78239	0.8
169.50870	0.8
171.10231	35.2
172.10495	2.1
185.11920	0.8
249.22336	1.0
277.21796	41.7
278.22101	6.0
295.22849	100.0
296.23227	10.7
317.21054	32.4
317.24860	1.0
318.21378	3.5
335.20834	1.8
341.11172	1.1
361.20050	7.4
362.20642	1.5
377.23068	34.9
378.23184	5.3
386.00406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52646	0.3
55.84166	0.3
59.01259	1.2
61.98717	100.0
65.50953	0.3
69.64692	0.3
71.58742	0.4
84.97493	0.3
211.40730	0.3
275.20297	1.2
293.21368	0.7
294.21786	0.4
307.22919	1.3
320.51791	0.3
341.09619	0.7
378.19016	5.2
379.19336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02282	0.4
55.01772	3.6
57.03336	28.2
58.03658	0.4
59.01264	29.9
67.01774	0.7
69.03342	100.0
69.89622	1.8
70.03677	1.8
71.01266	5.5
72.99193	1.8
73.02835	2.3
76.22958	0.4
79.01797	1.4
81.03336	0.4
82.24458	0.4
83.01275	1.9
85.02840	4.1
87.00779	0.8
89.02341	0.5
93.03351	0.5
95.01270	2.6
96.95824	0.3
97.02851	19.7
98.03210	0.5
99.00778	27.2
99.04416	22.1
100.01131	0.8
100.04751	0.4
101.02347	9.6
111.05621	0.3
111.67683	0.3
113.02337	2.6
117.03374	0.5
119.03410	0.4
123.00798	1.6
125.02368	6.0
134.03653	5.6
137.02361	0.6
141.01880	5.9
143.03410	0.6
149.06050	0.5
159.02998	0.7
161.04495	1.2
173.04495	1.5
176.03458	0.4
178.02661	0.9
185.00879	48.0
186.01228	2.1
191.05574	0.5
193.05029	4.7
203.01987	1.1
209.11769	0.7
233.06679	1.3
235.11861	9.4
236.12100	0.4
277.12952	0.8
286.26718	0.4
317.16171	0.7
328.72504	0.4
333.20636	0.4
362.19742	1.2
365.98318	0.4
379.06735	4.3
379.15430	2.1
379.20193	0.9
380.06927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	0.2
59.01267	100.0
60.01608	1.1
66.59813	0.2
69.03356	0.4
71.01266	0.4
71.58110	0.2
71.58502	0.2
72.43850	0.2
85.02876	0.4
89.02344	0.2
107.97541	0.2
112.84656	0.2
113.02414	0.2
141.08875	0.2
167.36212	0.2
173.04550	0.3
179.03410	0.2
229.87508	0.2
245.35365	0.3
267.07202	0.2
341.11133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29856	1.5
53.24052	1.1
57.03329	2.1
59.01268	13.6
67.96494	1.4
69.03342	2.4
69.43858	1.4
69.55495	11.8
71.01242	1.4
78.88255	1.6
96.95934	2.1
97.06470	1.9
98.19823	3.3
99.04398	1.9
107.08570	19.1
119.08604	5.0
123.08047	3.5
125.09651	13.2
127.11214	1.5
130.97887	1.7
135.08046	1.4
137.09625	5.8
143.10732	1.7
157.90189	1.3
171.10182	6.7
173.04477	2.3
183.13898	1.8
199.09744	19.0
200.10512	4.1
209.15639	1.8
213.11292	3.9
245.19159	12.6
263.20218	4.1
271.17081	1.6
279.19742	1.9
289.18149	20.8
290.18338	2.0
305.17551	2.2
307.19211	100.0
308.19580	9.7
379.21478	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	375.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69202	0.2
54.80854	0.2
57.03335	1.3
58.00473	0.3
59.01265	3.3
62.59544	0.2
64.99484	0.2
69.03336	1.4
69.29507	0.3
69.29913	1.6
71.01284	0.4
71.04921	0.2
73.02846	0.4
81.04536	0.2
81.95296	0.2
83.04938	0.2
83.68475	0.2
85.02829	0.4
87.04424	1.0
95.04881	0.2
95.75193	0.2
96.95911	0.6
97.06483	0.4
99.00781	0.3
101.02386	0.2
101.06009	0.2
108.02069	0.4
109.02870	0.4
109.06513	0.5
111.04362	0.3
111.08051	0.3
113.09615	0.3
119.44402	0.2
123.08079	1.1
133.02927	0.2
133.04732	0.2
135.08098	0.5
137.09644	0.2
138.06763	0.3
139.11200	1.0
141.09146	0.3
141.12772	0.6
141.98254	0.2
143.10747	0.2
152.01105	0.5
153.05568	0.2
153.09142	0.8
157.12296	1.4
169.12354	0.9
171.13864	0.2
174.99149	0.2
185.11789	2.4
213.11230	0.2
214.12054	0.3
215.12892	1.5
217.00185	0.4
221.41727	0.2
251.20029	0.3
293.21249	0.3
311.22354	0.4
327.21756	0.5
327.25616	0.5
329.23410	2.9
330.23804	0.3
339.25485	0.5
339.89261	0.2
355.24887	0.3
357.26544	3.1
358.26868	0.5
373.25946	2.3
374.26291	0.4
375.27573	100.0
376.27899	11.7
376.32852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07837	0.3
57.03334	1.6
58.00489	0.5
59.01266	3.5
60.58070	0.3
70.91227	0.6
70.91599	0.6
71.01278	0.3
76.57914	0.3
83.01276	0.3
83.04900	0.4
83.84281	0.3
85.02872	0.3
87.04400	0.6
97.06474	0.4
109.06507	0.8
113.09661	0.7
123.08072	1.2
139.11191	1.1
141.09143	0.4
141.12791	0.7
153.09142	0.9
157.12326	1.8
167.89854	0.2
169.12292	1.5
174.99275	0.3
179.60593	0.3
185.11818	2.1
187.09717	0.4
215.12946	1.7
217.00281	1.5
229.46255	0.3
256.49469	0.3
293.21393	0.4
311.22470	0.6
327.21793	0.5
327.25394	0.7
329.23505	3.1
339.25513	0.7
355.25153	0.4
357.26498	3.2
358.26904	0.5
373.25952	2.3
374.26367	0.3
375.27591	100.0
376.27960	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	377.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	14.2
58.00474	5.3
59.01266	26.4
61.98730	4.6
65.03848	4.6
66.37518	3.7
70.89925	6.1
71.01273	6.1
71.04909	3.2
73.02845	8.1
76.43908	4.3
81.03358	32.2
83.04932	9.9
85.02838	27.8
89.02327	5.3
93.03355	25.0
95.04926	10.1
97.02855	3.4
97.06510	8.1
101.05976	9.3
109.06494	3.7
111.04438	52.4
113.06030	4.5
121.06499	3.6
123.08126	3.9
125.09618	6.0
127.11184	4.7
132.41772	3.2
135.08069	4.2
139.07568	4.5
139.11230	4.8
147.76804	3.3
151.07649	4.3
165.09187	3.9
171.10213	100.0
172.10541	3.9
177.12790	4.0
185.11806	14.8
195.13783	4.0
199.09839	4.8
201.11305	79.0
202.11623	5.5
203.14372	3.4
211.13358	5.2
213.11392	9.9
215.12808	16.3
221.11807	31.1
235.13292	3.7
239.12904	46.0
247.13490	21.6
254.07993	4.0
257.14075	4.2
265.14487	13.2
285.17252	7.8
290.99399	3.6
305.17657	4.8
341.10809	3.9
341.19904	8.0
359.20901	11.2
377.21667	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	373.2599
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.15847	0.2
57.03334	1.4
58.00486	0.2
58.02978	0.1
59.01263	2.0
60.01592	0.1
61.98697	0.2
69.03331	0.6
70.18526	0.1
70.90172	0.4
71.01260	0.5
71.04914	0.3
73.02830	0.5
83.04894	0.1
85.02843	0.2
87.04430	0.2
93.00880	0.1
94.24483	0.2
95.01285	0.2
95.04927	0.3
96.35526	0.1
97.06487	1.3
101.02313	0.3
111.08069	0.4
113.09652	0.7
120.52371	0.1
121.10115	0.1
123.08071	2.5
124.08405	0.2
125.09666	0.8
127.07598	0.7
132.04536	0.2
137.09666	0.2
139.11197	2.0
141.09134	0.9
141.12769	0.3
151.11087	0.1
155.10652	0.2
157.12270	1.1
167.10677	0.3
169.12256	0.5
171.06641	0.2
171.10216	0.4
173.04485	0.2
185.11798	10.6
186.12079	0.7
201.11307	0.3
213.11349	0.4
214.12103	1.5
215.12865	2.0
216.13486	0.3
221.01428	0.1
267.19791	0.3
302.05850	0.1
307.22824	0.1
313.23904	0.2
319.22974	0.3
325.24081	0.3
327.21875	0.7
337.23990	0.2
343.24948	1.9
344.25339	0.2
353.23489	0.2
355.24997	1.6
356.25269	0.2
371.24414	1.5
372.24518	0.2
373.26001	100.0
374.26349	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	374.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.1
57.42907	1.1
59.01265	28.0
61.98717	100.0
70.81004	1.1
70.81324	2.1
82.08708	1.1
85.96902	1.2
91.74709	1.5
143.59143	1.2
174.99184	5.2
217.00308	21.7
231.74615	1.1
374.99246	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	374.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05692	0.2
54.18155	0.2
56.74084	0.2
57.74944	0.2
59.01262	2.4
61.98710	0.5
68.68874	0.2
68.98010	0.2
69.55074	0.3
69.55412	1.5
100.06931	0.1
100.07574	0.2
101.05997	1.1
122.34753	0.2
124.07617	0.4
148.05159	0.2
149.07095	0.2
165.48445	0.2
174.99153	0.4
176.04453	0.2
189.10295	0.2
205.12268	0.3
217.00299	2.4
232.10927	10.0
233.11261	0.6
272.17657	0.2
273.16376	0.2
289.18024	1.6
290.18787	3.1
316.16663	1.5
318.18420	0.3
346.08096	0.5
358.21399	1.0
374.24533	100.0
375.24863	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68714	0.5
50.83755	0.5
59.01263	1.0
59.07834	0.5
68.03043	0.5
70.08410	1.9
74.98985	1.7
78.05614	0.5
78.95836	0.5
80.61269	0.6
93.00056	1.5
109.93677	0.5
128.24600	0.5
140.59358	0.5
159.08420	10.4
161.06337	2.4
209.01286	2.0
217.07301	0.9
275.06104	0.8
277.07590	1.5
289.07605	1.6
291.09171	89.2
292.09308	12.9
309.10199	1.7
309.75833	0.5
357.13980	1.6
359.15424	100.0
360.15588	18.6
375.18542	11.1
376.18738	1.8
377.16531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79163	0.1
57.03341	1.5
57.05325	0.1
58.00475	0.4
59.01034	0.1
59.01269	1.6
61.98726	0.1
69.03345	1.0
70.74413	0.4
71.01292	0.2
71.04939	0.2
73.02833	0.4
80.96379	0.2
85.02832	0.3
87.04415	0.8
96.36334	0.1
97.06476	0.4
99.00778	0.2
109.02875	0.2
109.06499	0.5
111.04390	0.1
113.09609	0.2
118.43960	0.1
123.08083	1.2
125.09673	0.3
135.08067	0.4
137.02292	0.1
138.06830	0.3
139.11227	0.8
141.09172	0.4
141.12796	0.4
142.89313	0.1
143.10751	0.2
150.05620	0.2
151.11221	0.2
152.01143	0.2
153.09167	0.8
157.12302	1.9
160.05270	0.2
165.17267	0.2
166.05095	0.1
169.12282	1.1
171.13930	0.3
173.04478	0.2
174.99223	0.1
185.00905	0.1
185.11812	2.2
206.17273	0.1
213.11313	0.2
214.12061	0.3
215.12889	1.3
216.13347	0.2
217.00333	0.4
248.35051	0.1
251.20195	0.3
273.90097	0.1
293.21390	0.2
311.22467	0.4
327.21716	0.4
327.25430	0.3
329.23404	2.6
330.23602	0.2
339.25580	0.6
355.25098	0.2
357.26523	3.4
358.26987	0.4
373.26038	2.7
374.26028	0.2
375.27600	100.0
376.27927	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	375.216
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
59.01265	47.9
69.28851	1.6
69.29255	9.2
75.94177	1.1
77.65614	0.9
80.56221	1.1
81.00104	0.9
82.39872	0.8
90.44662	0.8
95.04926	4.1
99.92519	1.3
109.06528	1.1
116.36819	0.9
121.10149	28.3
127.11198	1.1
149.09677	0.9
170.13194	1.0
171.10222	66.1
172.10577	2.2
174.99211	1.2
177.16446	2.1
183.13940	1.1
185.11852	2.8
207.10051	2.0
217.00345	2.7
231.21169	6.0
253.09311	2.3
275.20221	100.0
276.20609	8.7
278.11411	10.0
293.21298	93.5
294.21570	11.0
297.18649	1.5
315.19455	48.3
316.19864	5.3
329.17426	1.7
359.18411	11.0
375.21478	49.5
376.21283	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	375.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20573	0.7
59.01263	26.5
71.26093	1.6
80.47192	0.8
93.03393	0.7
95.04919	35.5
99.92455	2.1
109.87294	0.9
150.02916	1.9
174.99213	0.6
179.14415	1.1
189.05290	1.5
191.69449	0.7
195.13876	10.7
196.14330	0.7
205.12225	1.1
209.43460	0.7
217.00319	3.7
223.13429	8.2
228.13676	1.3
246.12390	11.4
247.12764	0.9
249.06136	1.6
256.13187	1.9
265.21643	0.8
275.20200	4.9
278.11404	81.4
278.53012	0.8
279.11752	7.0
284.16626	0.6
293.21280	100.0
294.21640	12.7
306.13138	0.8
315.19470	24.7
316.19778	2.9
338.12262	8.2
339.12476	1.3
358.12485	1.2
375.21457	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	373.1875
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01767	0.3
57.03337	0.3
57.98706	0.2
58.00483	0.2
59.01264	100.0
60.01603	1.6
69.03342	2.7
71.01270	5.9
71.53506	0.4
71.53876	0.2
72.99204	0.5
73.02837	1.8
83.01292	1.0
85.02836	1.5
87.00774	0.3
89.02342	3.8
93.03376	0.3
95.01295	0.5
96.95914	0.2
97.02879	0.6
99.00806	1.3
101.02348	3.4
113.02361	2.4
119.03401	1.4
132.03003	0.2
132.12389	0.2
140.90355	0.3
141.01912	0.3
143.03467	0.3
151.03917	0.5
152.91080	0.2
156.01085	0.3
161.04565	0.9
173.04515	0.6
179.05586	0.7
185.00923	1.6
199.09567	0.2
234.88101	0.2
272.06509	0.2
331.17862	0.6
373.15289	0.6
376.28369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76981	0.4
56.22869	0.5
56.59021	0.4
57.19433	0.5
59.01264	13.6
71.01247	0.5
71.58185	1.0
78.18309	0.4
80.02538	0.7
88.87035	0.5
93.03328	2.0
96.17400	0.4
97.06440	0.5
117.40682	0.4
119.04912	0.5
127.07553	0.5
148.08855	1.3
150.10457	0.8
163.11177	1.3
165.12796	22.9
166.13075	1.2
169.08064	0.4
176.11861	0.7
177.12669	0.9
191.14561	0.5
217.16031	0.7
223.32841	0.4
244.10881	3.2
247.20697	10.7
248.21001	1.5
255.17940	0.4
258.97473	0.4
259.18750	0.5
273.18677	7.1
274.19092	0.9
291.19720	100.0
292.20087	11.1
313.17914	14.1
314.18250	1.4
373.20053	18.0
374.20267	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	373.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10000	1.0
59.01266	22.2
63.27664	0.9
69.50452	1.0
85.21408	1.0
86.61189	1.0
93.03371	1.6
95.04932	1.1
97.06487	1.1
100.05682	1.1
119.08564	1.3
121.10159	17.0
123.08143	1.3
125.09641	9.1
147.08067	1.4
147.31422	1.1
185.11821	11.4
197.11812	4.2
207.10022	4.1
209.11974	1.8
211.13354	3.0
215.39404	1.2
245.19073	9.0
246.19333	1.4
291.19727	68.2
292.20148	6.5
311.16208	1.8
313.17908	100.0
314.18289	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	373.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
58.00506	0.4
59.01264	100.0
60.01606	1.7
69.03341	1.0
70.94249	0.3
71.01267	6.0
71.59335	0.4
71.59728	0.5
72.99217	0.6
73.02824	2.0
78.95799	0.8
83.01242	0.9
84.27840	0.4
85.02842	2.1
87.00768	0.4
88.35667	0.3
89.02335	2.8
95.01289	0.6
96.83880	0.4
96.95930	0.6
97.02848	0.5
99.00770	0.9
101.02354	3.7
104.12458	0.4
111.00842	0.3
111.75666	0.3
113.02345	2.5
119.03417	1.1
121.19508	0.3
122.06044	1.1
125.02364	0.4
132.04485	2.4
152.07109	2.3
161.04500	1.3
173.04652	0.5
185.00938	0.9
189.81293	0.4
209.96971	0.4
297.12506	0.6
331.17874	0.8
341.11359	3.5
373.07169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64539	0.7
56.88274	0.7
57.66245	0.7
59.01266	2.9
61.98718	100.0
70.35261	3.0
92.75414	0.7
148.06602	0.7
191.74667	0.7
300.21008	0.7
328.13589	0.8
335.44583	0.7
397.22238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	3.9
59.95950	0.9
61.98719	100.0
69.48696	0.7
71.58240	1.3
84.95731	0.8
91.16106	0.8
102.66022	0.7
264.86832	0.8
317.98581	0.8
326.45419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.2
61.23087	0.4
61.98720	100.0
66.50706	0.4
67.72665	0.4
68.77503	0.4
69.70455	3.0
70.89597	0.4
74.65427	0.4
98.20518	0.8
112.43045	0.4
120.09770	0.5
121.02880	0.7
137.67290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	13.6
61.98702	0.4
69.03342	1.0
69.63183	2.9
71.01263	2.0
73.02844	0.9
80.04946	1.5
85.02846	1.2
89.02334	1.1
93.03375	0.6
94.06534	2.6
97.02859	0.5
99.00800	1.0
101.02348	1.8
104.04965	7.5
106.06545	0.6
107.03683	4.5
108.04464	7.8
113.02368	0.8
120.04454	0.6
122.06036	34.4
123.06384	1.3
124.07588	1.9
129.59380	0.4
131.79739	0.4
132.04480	71.2
133.04825	3.1
134.06067	2.8
139.02675	1.9
148.03978	6.5
148.05045	0.7
150.05566	2.1
152.07112	87.8
153.07474	4.1
160.04024	1.0
164.07018	0.4
173.04549	0.6
176.03488	9.1
185.00841	0.6
188.03497	1.9
190.05078	0.7
208.06143	4.3
269.12976	4.8
270.13388	0.7
273.12543	6.8
274.12939	0.7
275.85757	0.4
297.12512	30.9
298.12808	2.8
313.12048	3.6
314.12131	0.5
341.11484	100.0
342.11789	10.8
373.14066	21.9
374.14395	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	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02280	0.5
55.01772	4.1
57.03331	1.4
58.00456	0.4
59.01263	29.9
66.91885	0.4
67.01776	0.9
69.03343	100.0
70.03674	2.6
71.01272	12.9
71.01665	0.6
71.59610	0.5
72.99197	1.9
73.02836	7.1
73.73962	0.4
79.01807	1.7
83.01269	2.0
83.04916	0.6
85.02841	5.7
87.04418	1.5
89.02348	4.0
93.03353	0.7
95.01288	3.3
96.95930	0.5
97.02854	18.1
97.03487	0.9
98.03173	0.6
99.00783	24.8
101.02345	9.7
111.00808	0.5
113.02363	4.7
113.09653	0.9
119.03424	1.4
123.00820	1.2
125.09612	0.6
129.01817	0.6
130.08672	1.4
131.03435	0.6
135.04469	1.5
141.01859	6.7
149.09663	3.8
150.10027	0.6
161.04419	2.7
167.10783	0.7
168.02934	1.1
173.04494	1.8
179.03423	0.7
184.43016	0.5
185.00888	60.4
185.11784	5.2
186.01274	2.8
187.13345	1.6
191.05618	0.7
203.01880	0.8
242.18774	1.6
327.25372	0.7
328.18765	2.8
371.13547	16.5
371.20660	0.6
371.24448	7.1
372.13806	2.3
372.24960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1508
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
51.80441	0.4
57.03366	0.5
59.01265	5.5
61.98704	0.6
69.03332	1.4
71.01231	0.5
71.58886	0.7
80.38887	0.5
93.03333	1.4
95.04909	0.7
96.95895	0.7
97.02850	4.3
101.02317	0.6
103.80992	0.5
109.02883	0.5
119.04948	0.9
121.02864	0.7
122.06075	0.6
123.04444	1.1
133.02852	2.1
134.03664	21.8
135.04523	3.3
137.02374	1.9
139.03931	0.6
147.04489	1.0
148.05246	8.8
149.06026	14.1
150.06287	0.5
152.07080	0.8
159.04453	0.6
161.02399	0.5
161.06046	0.8
162.05533	0.7
164.04630	0.5
173.04541	0.9
175.03969	29.3
176.04744	100.0
177.05231	8.2
179.03354	0.7
179.07065	1.6
187.07584	1.6
189.05550	2.4
191.07104	98.6
192.07437	5.5
205.08600	1.1
219.08144	1.9
220.22432	0.4
229.08792	1.0
231.06686	1.0
253.77837	0.5
253.92383	0.5
263.07196	2.2
273.07748	10.0
274.08261	0.8
291.06659	0.9
327.12439	2.7
328.12735	0.5
356.12863	0.7
371.02371	1.8
371.15131	35.8
371.24435	2.2
372.15576	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	373.1876
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.23844	0.3
52.54890	0.3
53.17170	0.3
55.01773	0.3
55.29607	0.3
57.03333	0.4
58.00478	0.4
59.01263	100.0
60.01601	1.1
61.98710	0.5
65.84280	0.3
69.03343	3.0
70.91287	0.6
70.91630	0.4
70.92609	0.3
71.01266	7.2
71.04928	0.3
72.99195	0.4
73.02856	1.1
74.95500	0.3
81.28239	0.3
83.01297	0.9
85.02840	2.4
87.00767	0.8
89.02335	3.7
93.03361	0.6
95.01286	0.5
96.95921	0.4
97.02853	0.5
99.00802	1.3
101.02338	4.7
105.01866	0.3
108.02097	0.3
113.02345	3.5
119.03444	1.3
125.02335	0.3
131.03448	0.4
141.96257	0.3
159.02991	0.3
161.04536	1.6
161.05722	0.3
169.12259	0.3
179.05606	0.3
185.00922	1.8
211.95772	0.3
213.11348	0.5
215.93419	0.3
217.92809	0.3
227.97279	0.3
313.16617	0.6
315.31415	0.3
331.17639	3.5
332.18317	0.3
350.36621	0.4
373.25888	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	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01023	0.1
59.01265	100.0
60.01602	1.3
69.03348	0.4
71.01280	0.5
71.09462	0.4
73.02860	0.2
81.82947	0.1
83.01287	0.2
85.02863	0.5
87.34499	0.1
89.02335	0.2
89.82961	0.1
93.03371	0.3
97.02871	0.2
101.02371	0.2
103.61553	0.1
113.02367	0.3
126.57068	0.1
135.04453	0.2
141.01904	0.3
161.04482	0.2
169.80513	0.1
173.04532	0.6
185.00856	0.2
185.11801	0.2
191.05652	0.1
206.11845	0.2
206.35162	0.2
223.51874	0.1
269.10336	0.3
298.92813	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	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83015	0.5
59.01266	100.0
60.01595	0.7
60.75304	0.5
61.98743	0.7
69.03352	3.3
71.01279	1.9
71.57256	0.9
71.59052	0.4
73.02869	0.5
74.51360	0.4
75.67666	0.5
85.02869	1.0
87.00791	0.6
90.69999	0.5
93.03371	0.5
95.01304	0.5
96.95923	0.5
97.02856	3.4
99.00776	1.2
101.02382	1.2
113.02362	0.8
119.10181	0.5
121.02897	1.0
125.09637	0.4
135.04524	1.0
141.01886	4.4
159.02902	0.5
173.04543	1.0
185.00812	2.2
185.11803	6.4
191.05640	1.9
194.44208	0.4
197.04492	0.7
203.02011	2.0
213.75456	0.5
269.10361	0.6
331.00443	0.5
371.09686	0.7
371.13693	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	371.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69923	0.5
55.01757	0.7
57.03332	2.7
58.00462	0.8
59.01264	19.4
67.01762	1.6
68.99701	2.7
69.03333	2.4
71.01269	20.1
71.57891	0.8
72.01587	0.6
72.99196	6.5
73.02832	2.2
75.00761	19.6
75.51418	0.5
81.03343	0.9
82.86125	0.5
83.01279	1.6
83.04918	0.6
85.02841	21.8
86.03179	0.7
87.00769	8.1
89.02336	4.4
91.03925	0.8
93.03383	3.0
95.01283	5.6
97.02845	2.5
99.00777	11.9
99.04390	0.8
101.02348	1.2
103.00267	1.7
109.02858	0.8
111.00780	1.3
113.02357	23.1
114.02689	0.8
115.00284	1.9
117.01850	3.2
121.02867	100.0
122.03177	3.1
123.04404	0.7
129.01834	1.8
134.03633	0.6
141.01883	1.3
147.16324	0.5
151.50854	0.6
157.01357	0.6
173.04507	1.9
175.02498	2.7
175.04919	0.9
189.04048	1.3
191.05653	0.8
192.20911	0.5
203.01857	0.5
205.06096	0.5
231.05118	6.0
249.06187	63.7
250.06532	3.4
311.07742	0.6
348.58414	0.6
353.08624	1.9
371.09888	52.8
371.23825	1.0
372.10309	5.3
372.18073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14354	0.4
55.01769	0.6
57.03330	1.7
59.01258	4.7
60.99176	0.6
67.01781	2.0
69.03342	0.8
70.45554	0.4
70.45889	1.5
71.01267	4.5
72.99204	2.3
73.02814	0.5
74.99004	0.5
75.00753	0.6
81.03369	0.5
83.04916	1.0
85.02840	10.4
85.14188	0.3
87.00768	2.1
89.02326	2.1
93.03360	13.6
94.03679	0.5
94.23179	0.4
99.00791	0.4
99.04408	0.4
101.02336	1.2
109.02866	2.5
111.00810	0.8
111.04416	3.9
113.02325	0.8
117.40113	0.4
119.03415	0.6
121.02987	0.9
121.63525	0.3
122.03667	0.4
123.04435	5.5
125.02409	0.4
127.03927	1.0
129.01849	0.7
131.03407	0.5
134.03659	1.0
135.04446	100.0
136.03963	0.5
136.04802	4.3
137.02341	3.6
137.04314	0.6
147.02924	0.7
152.01091	0.4
153.05516	4.6
155.03464	3.7
156.03706	0.3
161.02370	0.4
161.04500	0.3
167.03474	2.7
173.04512	62.2
174.04851	1.8
178.55499	0.3
179.03491	4.9
179.05023	0.6
182.25043	0.3
191.02089	2.3
191.05583	31.7
192.05943	1.6
197.04535	11.2
208.00095	0.5
209.03012	11.8
209.04904	0.7
209.06294	0.5
210.03441	0.5
249.06284	0.6
335.13580	1.2
341.08804	3.7
353.08853	4.8
354.09183	0.6
371.09961	18.6
372.10114	1.7
385.07840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65199	0.3
54.69265	0.3
59.01261	2.3
65.05865	0.3
69.05286	0.3
73.51267	0.3
78.95795	100.0
95.96076	0.7
96.96865	32.0
114.32747	0.4
119.15389	0.3
353.42480	0.4
369.22061	17.6
370.22357	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	369.2289
Annotation	Platenolide II
Peak:m/z	Relative Intensity
53.76198	0.7
55.55835	0.7
59.01263	100.0
60.01613	0.7
60.14625	0.8
61.01648	0.6
61.98717	1.7
69.03334	0.9
69.25606	3.0
69.26028	4.3
71.01273	1.0
83.04954	0.7
97.06495	1.4
111.08039	1.7
121.03060	0.7
127.07575	1.3
138.32655	0.7
168.35077	0.7
169.12196	1.0
171.56100	0.8
181.12260	4.1
183.13876	5.6
193.12366	2.0
197.11798	7.2
199.00580	0.9
211.13377	44.8
212.13676	4.0
219.62273	0.8
221.11801	0.9
239.12761	0.8
291.19717	5.6
292.20087	1.0
309.20779	22.0
310.21091	2.0
327.21802	3.8
369.18155	2.5
369.22861	70.4
370.23145	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	370.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	8.4
60.56336	0.6
61.98717	100.0
62.69735	0.6
70.86790	2.0
71.01289	0.7
71.47868	0.7
80.83073	0.7
86.35517	0.7
87.00820	0.6
87.96275	0.8
92.25202	0.7
121.02866	11.9
121.46274	0.7
170.83296	0.8
179.03485	1.6
182.32303	0.8
273.05640	3.7
274.06357	3.6
370.17508	0.8
371.07819	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	371.0779
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.51411	0.2
59.01266	2.1
61.98714	0.5
66.71659	0.2
71.01271	0.2
71.59299	0.2
75.02440	0.1
77.03843	0.2
93.03347	0.4
114.79501	0.1
121.02872	100.0
122.03199	3.9
135.04466	0.2
149.02393	0.6
164.92001	0.2
176.04614	0.2
179.03461	10.7
180.03804	0.5
181.06563	0.5
197.06009	0.2
199.04002	0.2
221.05980	0.2
225.05611	0.5
233.45612	0.2
239.07204	0.4
241.57663	0.2
245.06125	0.2
260.15125	0.2
273.05630	8.2
274.06384	7.4
275.06863	0.6
283.06229	0.3
289.05334	0.2
298.08524	0.2
306.05576	0.2
306.49887	0.2
360.70258	0.2
371.07819	16.1
372.08221	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	371.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76937	0.8
55.01789	1.0
57.03330	2.7
59.01266	21.7
67.01781	2.0
68.99693	2.5
69.03330	3.6
69.70367	1.5
69.70782	4.0
71.01270	19.4
72.01579	0.8
72.99194	7.2
73.02836	2.8
75.00764	18.9
81.03358	1.5
83.00069	0.8
83.01273	1.5
83.04910	1.2
85.02844	23.9
87.00776	8.5
88.34032	0.8
89.02329	6.3
93.03349	4.6
94.03651	1.0
95.01301	6.4
97.02842	2.5
99.00774	13.0
99.04480	1.0
101.02325	1.9
103.00256	2.1
111.00780	2.1
111.04402	1.0
113.02357	24.5
115.00256	2.3
117.01839	3.6
121.02869	100.0
122.03194	3.7
129.01823	2.5
135.04440	0.8
147.43575	0.9
173.04483	5.6
174.04869	2.2
175.02460	3.3
175.04982	2.8
176.05322	1.1
177.05534	1.1
191.05652	1.9
195.64894	1.0
231.05119	6.5
249.06192	60.7
250.06520	3.8
353.08801	1.1
371.09879	53.4
372.10269	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	369.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	5.4
63.76577	0.6
67.01773	1.2
69.03343	100.0
69.42935	1.1
69.43329	5.0
70.03680	2.7
71.01279	1.3
72.99183	2.0
79.01796	3.6
85.02847	1.1
95.01290	2.2
97.02851	17.6
97.03483	0.9
98.03235	0.7
99.00780	25.6
113.02308	0.6
123.00806	1.1
141.01871	12.4
168.75552	0.6
183.10146	0.9
185.00883	52.7
186.01251	2.7
228.06160	0.6
228.88667	0.7
275.37363	0.6
369.11984	14.8
370.12384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
57.03324	1.4
59.01265	6.1
67.10919	0.4
68.99702	28.3
69.03338	2.2
69.46460	3.9
70.00027	0.5
71.01270	9.6
71.04890	0.5
72.99178	0.6
73.02832	9.8
81.03348	0.4
81.26237	0.3
83.01277	1.8
85.02840	5.3
86.12081	0.4
87.04417	0.9
88.18170	0.4
89.02369	0.9
93.03355	0.4
95.01273	0.9
97.02837	0.8
97.06513	0.6
99.00778	100.0
100.01105	2.4
101.02335	6.8
101.05984	0.9
101.45272	0.4
113.02371	4.1
117.01826	1.1
119.27087	0.4
121.02831	0.6
123.04403	0.4
133.03008	0.4
137.02370	1.0
159.02905	1.3
161.04482	5.9
173.04550	0.6
183.13847	0.9
185.00952	1.2
191.05498	0.6
196.69054	0.4
207.13826	0.6
225.06905	0.4
243.11842	0.4
264.92880	0.4
269.10312	8.8
270.10739	0.9
307.22900	0.5
369.13013	0.8
369.18958	0.7
369.22891	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	369.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
57.03328	6.5
59.01268	8.0
59.69862	1.0
67.01757	3.1
69.03343	64.5
70.01721	1.0
70.04566	1.1
70.28869	1.0
71.01278	6.5
71.04897	2.7
71.58897	1.8
72.99202	3.0
79.01772	4.0
83.01269	4.1
83.04913	1.4
85.02844	30.0
87.00793	2.0
93.03362	9.6
95.01297	7.4
97.02854	61.7
97.49351	1.0
98.03191	1.7
99.00784	9.3
101.02336	2.5
103.56719	1.0
108.02106	1.4
109.02885	1.7
111.00790	10.3
111.04440	2.3
111.08073	2.1
113.02383	1.8
119.04934	4.0
123.00796	5.1
123.04417	3.4
124.01576	1.9
129.01842	8.4
133.02878	2.2
137.02264	1.2
139.11211	7.5
141.01868	100.0
142.02187	3.9
151.03914	5.1
163.03952	3.6
167.03450	3.6
168.00566	4.5
173.04507	22.2
174.04857	2.1
175.02437	1.3
175.04977	1.8
183.02962	5.9
183.10228	32.4
184.10622	2.1
185.00891	29.6
186.01173	2.5
191.05627	5.8
195.02974	2.5
203.01938	6.3
205.03487	10.0
223.04605	33.2
224.04968	1.7
369.11978	32.2
369.16409	2.4
370.12231	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1819
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
58.48643	1.6
59.01266	13.1
61.98712	2.2
71.01270	2.2
71.59766	2.2
82.23791	1.4
83.04895	1.4
88.79941	1.5
102.85195	1.8
105.53409	1.3
126.79073	1.4
139.11185	3.7
171.10228	10.1
183.01230	2.6
193.12317	3.3
206.66016	1.5
211.13361	3.6
269.07870	1.7
281.70206	1.4
293.21252	8.5
311.22360	22.9
312.22693	2.1
333.25290	1.5
340.83484	1.5
369.18155	100.0
370.18549	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	369.1347
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
59.01255	4.5
61.98713	0.6
68.99696	2.1
95.01176	0.6
97.02870	1.1
132.02077	0.8
134.03661	100.0
135.04370	4.6
149.06015	88.4
150.06354	4.8
160.01633	1.9
161.02434	0.7
164.76340	0.5
175.03969	4.0
176.04660	0.9
183.01053	0.9
191.07123	2.2
203.03362	1.4
204.04274	5.9
219.06622	23.1
220.06949	1.2
233.08176	1.7
262.11893	3.5
291.19794	3.1
295.34860	0.6
309.20737	2.5
331.18945	2.8
353.34262	0.6
357.47842	0.7
369.17157	5.9
392.99631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.1
57.03341	17.6
59.01041	1.0
59.01271	12.5
67.01768	4.6
67.50352	1.0
69.03337	2.1
71.01265	13.1
71.43758	1.2
71.44095	1.6
72.72164	1.1
72.88735	1.1
72.99187	2.7
73.02836	2.4
75.00789	2.7
77.71752	1.2
80.22953	1.1
81.03371	2.2
83.01276	10.2
84.02033	1.9
85.02844	100.0
86.03187	1.5
87.00771	3.2
93.03363	17.1
101.02363	9.8
105.03357	1.3
107.04906	1.6
109.02843	1.5
111.00795	37.5
111.04408	4.2
119.04919	5.5
123.04445	17.0
124.04800	1.3
127.03881	1.6
129.01866	24.8
133.02879	15.8
134.03636	4.0
135.04024	1.7
137.02354	3.7
141.01855	1.3
147.02895	2.5
151.03947	20.2
155.03429	4.0
161.04489	2.6
163.03954	3.2
173.04517	63.5
174.04822	2.9
177.01880	11.4
178.02293	1.3
187.02393	2.0
191.05591	30.7
192.05862	2.1
193.05066	1.8
194.05429	1.7
195.02940	15.8
195.05479	1.4
196.03278	1.1
205.03525	33.2
223.04596	97.2
224.04910	4.8
273.52454	1.3
347.57831	1.3
369.08252	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	369.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45748	0.6
55.01760	2.9
57.03336	11.5
59.01261	7.3
67.01771	1.6
68.99688	0.8
69.03336	3.7
69.33446	0.6
69.53198	5.3
71.01275	9.1
72.30716	0.6
72.99194	2.0
73.02805	1.4
75.00761	2.1
83.01270	7.5
84.02056	1.8
85.02843	72.7
86.03181	1.6
87.00768	2.7
93.03349	3.5
93.45103	0.6
97.02824	4.1
99.00774	1.5
101.02341	6.5
103.00309	0.9
103.03878	0.9
111.00790	26.5
111.04452	0.9
112.01141	0.9
112.87156	0.7
119.04948	6.2
120.09428	0.7
123.04478	1.1
125.02373	0.7
129.01862	22.4
130.02029	0.7
134.03685	1.2
141.01862	5.7
143.03394	0.9
145.02852	1.0
147.02899	1.5
151.03928	1.5
161.04491	1.9
163.03975	4.6
165.05565	0.8
173.04527	10.1
174.04773	1.6
175.02495	0.8
175.04979	1.8
183.10190	1.9
185.00864	1.8
187.02444	2.2
191.05527	2.8
195.02940	1.1
205.03526	30.1
206.03780	1.1
223.04596	100.0
224.05020	3.4
237.14946	0.8
249.03923	0.9
249.98354	0.7
369.11963	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00991	0.5
59.01265	6.8
61.98718	0.4
69.48225	2.3
69.48637	0.6
71.01259	1.5
71.04927	0.4
73.02845	0.3
83.04912	0.4
85.01722	0.3
89.02347	3.3
91.03905	14.7
92.60504	0.3
97.06509	0.4
111.08006	0.4
113.09589	0.4
119.16807	0.3
121.02850	0.4
161.04506	0.6
165.61964	0.3
171.10167	0.4
173.04578	0.4
177.12836	0.4
179.14388	1.0
181.12239	0.4
185.73097	0.3
195.13875	8.7
196.14311	0.8
205.12254	0.8
205.15950	0.7
223.13412	6.2
224.13783	0.8
228.13599	0.5
231.21291	0.4
256.13245	1.3
275.20224	6.0
276.20612	0.7
293.21304	100.0
294.21637	11.4
295.23007	0.4
307.10406	0.9
367.15970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28487	1.1
55.01760	4.4
57.03337	19.1
59.01264	7.6
69.03365	1.3
71.01265	9.7
71.05433	2.6
72.99172	2.2
73.02831	3.5
75.00751	3.1
83.01280	11.4
85.02840	100.0
86.03163	2.8
87.00785	2.2
93.03346	1.9
96.96866	1.4
100.11850	1.2
101.02335	7.0
101.76521	1.1
103.00231	1.9
111.00782	35.6
114.89272	1.4
119.02186	1.1
119.04917	8.7
123.04414	2.5
124.67971	1.2
129.01866	40.9
129.02875	1.9
133.02869	2.7
147.02867	2.1
151.03944	2.6
161.04485	2.9
163.03961	7.0
173.04462	4.7
187.02435	1.6
191.05597	4.1
205.03528	31.6
223.04590	78.4
224.04987	3.3
262.04990	1.2
293.41287	1.3
311.42633	1.2
369.08206	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.3
57.03337	19.5
59.01266	4.7
61.95006	1.2
64.74561	0.9
67.01785	2.0
68.99696	1.1
69.03342	4.0
71.01262	8.1
71.52659	1.8
72.63373	1.0
72.99201	1.5
73.02843	2.9
75.00755	2.2
83.01279	11.5
84.02069	3.0
85.02843	100.0
86.03180	2.1
87.00759	1.9
93.03367	4.9
96.95899	0.9
97.02847	1.2
97.09689	1.2
99.00784	2.6
101.02352	5.8
109.02902	1.5
111.00791	31.2
111.04404	1.4
119.04943	14.6
120.05345	1.1
121.02905	1.1
123.04474	5.6
129.01866	43.7
133.02892	4.6
145.02844	1.6
147.02887	1.2
151.03920	4.2
159.02885	1.1
161.04514	3.0
163.03958	10.0
173.04475	9.4
177.01913	1.8
185.00914	1.7
187.02415	2.1
191.05577	11.1
195.02988	3.3
205.03526	24.7
223.04611	40.9
224.04976	2.2
226.40062	1.1
299.53470	1.2
369.08194	2.7
387.68054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34436	0.2
52.43602	0.2
57.03339	0.4
58.00498	0.2
59.01266	5.9
61.48491	0.2
70.11005	0.8
71.01263	1.2
72.99197	0.2
83.04923	0.3
85.02837	0.2
89.02334	3.1
91.03902	13.1
95.04930	0.2
97.06520	0.4
102.70786	0.2
111.08057	0.5
113.09605	0.3
121.06403	0.2
122.16360	0.2
135.02939	0.3
141.09073	0.2
161.04495	0.4
167.10718	0.4
171.10168	0.5
179.14319	1.0
181.12337	0.3
182.61041	0.2
195.13887	8.2
196.14388	0.5
205.12329	0.9
205.15988	0.5
211.13445	0.4
214.11888	0.2
221.11658	0.2
223.13396	6.0
224.13869	0.5
228.13643	0.7
231.21213	0.2
249.18608	0.2
249.22246	0.3
256.13196	1.9
265.21765	0.4
275.20206	5.7
276.20575	0.6
277.21793	0.6
293.21286	100.0
294.21625	11.1
294.25095	0.2
295.22787	1.9
307.10379	0.6
307.19040	0.3
329.17270	0.6
330.16983	0.2
331.18805	0.6
352.82220	0.2
367.14963	0.6
367.24872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1044
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01271	3.5
68.00275	0.3
71.01275	0.9
71.06188	0.5
71.06520	0.7
73.02806	0.4
83.04929	0.6
85.02821	0.6
93.03350	1.7
101.02311	0.6
104.35281	0.4
111.04424	2.0
113.02342	0.6
117.03364	5.1
129.01830	0.4
134.03662	57.4
135.04027	2.7
149.06033	4.7
155.03427	2.2
167.22771	0.4
173.04483	5.8
191.05591	3.8
193.05035	100.0
194.05385	5.6
235.11884	2.1
343.42743	0.4
367.10425	7.8
367.16095	1.2
368.10663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47284	0.3
57.03316	0.6
59.01265	1.7
60.99185	0.4
67.01774	3.8
69.03336	0.8
69.87395	1.9
71.01269	2.2
81.03381	0.5
82.14172	0.3
83.04926	0.6
85.02825	0.5
87.00747	0.4
89.03883	0.3
93.03356	18.9
94.03685	0.9
95.01343	0.3
102.71056	0.3
109.02848	0.8
111.00809	0.5
111.04420	3.8
113.02312	0.4
117.03378	1.4
124.18230	0.3
127.03882	0.3
134.03668	14.0
135.04045	0.8
137.02371	3.7
149.06000	0.8
152.03653	0.3
155.03448	4.8
173.04510	100.0
174.03421	0.6
174.04848	4.8
191.05589	7.0
193.05038	16.7
194.05409	1.4
218.92064	0.4
236.49713	0.3
307.76352	0.3
367.10419	4.8
368.10767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58131	0.3
57.03329	1.1
58.00463	0.6
59.01260	3.0
60.99188	0.7
62.87280	0.3
67.01774	6.9
69.03339	1.9
69.60291	2.4
71.01265	4.5
81.03352	1.0
83.01240	0.4
83.04929	1.1
85.02839	1.1
87.00761	0.7
89.03861	0.8
93.03358	40.1
94.03684	1.5
99.04417	0.5
109.02860	1.0
111.00783	1.3
111.04425	7.1
111.05150	0.6
113.02334	0.4
117.03376	2.8
127.03946	0.7
134.03662	32.1
135.03981	1.1
137.02374	5.9
138.02739	0.3
149.05992	2.3
155.03433	5.5
166.93306	0.3
170.24036	0.4
173.04509	100.0
174.04840	4.5
191.05585	4.9
193.05040	15.5
194.05365	0.9
226.41368	0.3
271.96899	0.3
367.10440	2.6
368.10623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01588	1.0
69.03365	1.3
69.14291	1.0
71.01270	3.8
71.59811	1.6
72.99225	1.3
83.63160	1.0
85.02846	1.9
85.92036	0.9
96.95916	2.0
101.02348	2.2
113.02323	2.3
123.97108	1.0
127.00287	2.1
148.56778	1.2
158.56822	1.0
161.47475	1.0
173.04482	2.4
183.25255	1.0
365.19781	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	365.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	12.9
60.19894	0.6
61.96156	0.6
61.98708	0.7
67.56303	0.6
71.01264	1.4
71.26714	1.6
73.19992	0.6
81.13831	0.6
96.95947	0.9
117.18044	0.6
117.43831	0.6
121.10128	4.8
124.53437	0.6
161.04555	0.9
171.10217	11.4
177.12805	0.8
181.07545	0.8
183.13841	0.8
195.13898	6.6
201.02588	1.3
205.12262	1.0
211.13319	0.9
223.13347	6.4
231.21347	1.1
246.76488	0.8
256.13211	2.4
275.20197	28.8
276.20468	3.4
293.21280	100.0
294.21594	11.4
294.24728	1.1
329.23254	0.8
357.95319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2703
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.19200	1.3
59.01261	12.5
59.50720	1.3
69.83678	3.8
69.84090	3.2
85.06474	2.9
96.65895	1.0
112.94020	1.1
120.26376	1.2
161.44502	1.1
201.02509	1.3
217.57538	1.3
219.17622	1.6
238.53720	1.1
246.67757	1.2
279.19720	16.4
280.19974	2.1
347.25946	5.4
365.27029	100.0
366.27347	11.7
389.33566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.6
61.98719	100.0
66.29464	0.4
70.92322	1.0
70.92695	0.6
71.01294	0.5
74.98979	0.7
77.74027	0.4
78.01418	0.4
134.03667	0.7
135.04498	1.3
135.52473	0.5
136.30780	0.5
151.08276	0.5
157.44443	0.5
173.04553	1.6
243.11354	0.7
248.60852	0.5
285.05692	1.9
303.06711	5.5
329.23605	1.3
330.23724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49321	0.2
59.01263	100.0
60.01590	1.2
65.09592	0.2
65.36800	0.2
70.49845	0.6
71.01276	1.0
73.02850	1.0
83.01297	0.4
89.02350	0.5
101.02348	0.8
102.62318	0.2
113.02371	0.5
139.11232	0.2
141.09161	0.3
141.10184	0.2
145.69630	0.2
161.04485	0.4
201.11382	0.4
225.13684	0.2
271.94287	0.3
304.12177	0.2
322.13144	0.3
345.19388	0.2
358.60818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.7
57.03337	100.0
58.00471	0.8
58.03668	1.4
59.01263	75.0
60.01614	0.8
62.28746	0.4
65.29283	0.5
68.91942	0.5
70.36063	1.6
71.01270	15.3
72.99176	1.2
73.02837	6.3
81.03370	1.2
83.01270	4.1
83.69076	0.4
85.02844	8.1
87.00743	1.2
89.02347	2.2
95.01284	1.1
99.00803	2.5
99.04419	73.2
100.04771	1.5
101.02345	33.4
102.02695	0.8
113.02355	7.2
125.02365	19.7
126.02680	0.6
137.07312	0.5
143.03423	2.1
159.02933	1.9
161.04491	6.9
167.03448	0.9
185.02592	0.5
221.10292	35.1
222.10674	1.5
249.06200	0.9
263.11420	2.9
265.09244	0.7
273.84216	0.5
285.56085	0.5
303.14420	1.7
333.44492	0.5
365.14511	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	365.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
57.03336	100.0
58.03670	2.2
59.01263	98.7
60.01592	1.1
60.18034	0.9
68.38582	0.7
69.03324	1.9
71.01269	17.8
71.06062	1.6
71.06384	0.8
72.99200	2.0
73.02835	7.8
75.00755	1.0
81.03344	1.7
83.01279	4.5
84.29783	0.9
85.02833	10.2
87.00780	2.0
88.51846	0.8
89.02332	2.6
93.03294	1.0
95.01237	1.0
96.95914	0.8
99.00778	4.2
99.04414	75.0
100.04749	1.6
101.02344	35.1
101.05990	5.7
102.02629	1.4
104.45067	0.7
108.95837	0.8
112.29668	0.8
113.02355	9.3
118.16578	0.7
125.02367	19.6
129.01875	1.1
143.03427	2.1
147.45604	0.8
159.02884	1.1
161.04472	6.8
173.04472	1.6
203.01923	1.2
221.10284	33.3
222.10645	1.9
227.59346	0.9
250.07655	0.8
253.01283	0.8
263.11404	3.0
303.14523	2.3
305.16205	1.9
365.14368	8.1
365.18277	8.4
366.15369	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80671	0.3
53.33657	0.3
59.01263	100.0
60.01598	1.1
66.37823	0.3
69.03339	0.3
71.01262	0.4
71.58636	0.5
74.43784	0.3
75.08785	0.3
85.02859	0.5
93.03332	1.8
101.02367	0.5
101.90270	0.3
109.68073	0.3
111.04459	0.5
137.02438	0.4
161.04712	0.3
173.04529	2.8
191.05539	1.5
206.39824	0.3
267.06653	0.4
367.08289	0.4
369.62909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18059	0.3
59.01266	100.0
60.01600	1.2
61.98730	0.4
62.53199	0.3
66.52805	0.3
69.03339	0.5
71.01267	0.6
71.55990	0.3
71.56448	0.5
83.01317	0.4
89.02348	0.3
96.37251	0.3
101.02374	0.3
104.75000	0.3
110.66425	0.3
141.01996	0.4
156.16223	0.3
176.72818	0.3
189.04366	0.3
208.87784	0.3
336.36682	0.4
365.12439	0.4
365.20166	0.4
375.74448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	100.0
58.03666	1.9
59.01264	90.4
69.03338	1.7
69.55950	5.9
69.56374	3.7
71.01266	21.6
72.48380	1.3
73.02828	7.0
73.85339	1.1
81.03355	2.3
83.01291	6.5
85.02827	8.9
87.00776	2.3
89.02348	4.3
95.01281	1.5
96.95909	2.0
97.02869	1.7
98.19892	2.5
99.00756	3.3
99.04420	67.1
101.02338	41.3
113.02355	9.4
125.02367	20.7
143.03413	2.4
153.65054	1.2
159.03023	1.8
160.59535	1.2
161.04457	6.8
167.03458	1.7
221.10291	35.3
222.10612	1.6
260.77026	1.3
263.11438	3.7
303.14658	1.4
329.08768	1.4
365.14587	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0882
Annotation	Vitrofolal D
Peak:m/z	Relative Intensity
59.01214	3.1
71.59792	0.9
77.06223	0.5
92.70480	0.5
96.95903	0.5
108.96629	0.5
143.47588	0.6
194.07281	1.6
197.06030	2.4
198.06879	1.0
206.07358	2.7
217.06558	1.9
218.07365	4.9
219.08057	2.8
221.06059	19.0
222.06639	2.5
230.07379	2.2
231.08150	21.9
232.08936	28.5
233.09242	2.3
234.06967	0.5
245.06079	2.3
246.06697	0.8
247.07671	4.2
248.08214	0.7
250.06262	1.3
261.05621	6.3
262.05841	0.7
264.07965	2.3
273.05533	1.4
275.07190	20.2
276.07614	2.8
289.05096	6.1
300.04349	1.1
325.20410	0.5
327.21634	1.9
335.09317	100.0
336.05835	1.0
336.09647	13.2
363.08832	43.6
364.09097	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28030	0.2
59.01265	100.0
60.01600	1.3
69.30173	2.1
71.01289	0.4
83.68692	0.2
85.02881	0.4
87.93312	0.2
89.02334	0.2
93.03347	0.2
99.00791	0.3
101.02351	0.4
105.69699	0.2
113.02387	0.3
124.48159	0.2
209.01515	0.2
222.08678	0.2
236.36163	0.2
361.41092	0.2
363.16513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62374	0.9
58.13383	0.9
59.01263	25.0
70.88103	2.6
78.95808	1.5
82.16205	1.0
146.81335	0.9
152.99583	1.4
189.51315	0.9
252.28860	0.9
277.21774	100.0
278.22131	10.4
359.22134	22.7
360.22144	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	360.0708
Annotation	Taveuniamide K
Peak:m/z	Relative Intensity
59.01266	3.8
71.56329	1.2
83.69142	0.8
138.05493	1.1
185.48036	0.7
217.00330	1.7
218.00533	1.0
226.04788	0.8
256.56790	0.8
283.06564	1.1
284.07214	8.0
285.07855	1.1
286.08777	4.6
289.05685	1.8
298.08847	1.5
308.07263	2.2
316.04428	100.0
317.05151	93.5
318.05627	9.4
326.08295	18.0
327.08893	2.2
342.06079	8.9
343.06253	0.9
360.07068	91.8
361.07407	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	361.0549
Annotation	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
53.58619	0.4
59.01261	0.8
60.97416	2.4
61.30452	0.3
71.07835	0.7
74.42287	0.4
80.02421	0.4
82.83544	0.3
125.09624	1.6
141.09117	1.3
160.93042	0.4
201.11296	2.0
215.08670	1.2
227.08638	0.7
230.07498	1.8
235.03940	1.3
243.08159	4.4
244.08432	0.4
245.09729	0.4
254.07397	0.6
255.08188	0.8
256.05316	0.5
257.06165	5.7
258.06750	1.6
259.07675	14.6
260.08069	2.3
261.03781	3.5
262.04590	2.9
263.04938	0.6
269.06183	0.6
271.07806	3.4
272.08194	1.0
273.03760	2.9
274.04474	0.7
282.06952	1.1
283.07703	3.7
285.05603	12.5
286.06131	1.7
287.07199	46.7
288.02591	0.5
288.07590	4.6
289.03302	6.6
289.08698	0.9
290.04138	19.5
291.04691	2.2
298.06439	0.5
299.07175	5.8
300.07675	0.6
301.03229	2.2
307.19217	0.6
316.02158	0.5
317.02826	100.0
318.03561	80.5
319.03928	7.6
325.20166	1.2
327.06683	37.9
328.07205	6.5
333.06149	2.2
361.05469	41.8
362.05823	5.8
364.88333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.7
62.35776	0.4
68.14906	0.4
68.78030	0.4
69.48829	0.9
69.49227	3.1
71.43302	0.4
76.36082	0.4
80.28983	0.4
81.16389	0.4
192.39651	0.4
217.00363	1.2
240.08167	1.5
254.09639	0.4
260.07889	0.6
264.08173	2.2
266.09805	14.6
267.10083	1.7
282.09378	1.0
292.07898	2.8
293.08563	0.7
308.07275	1.5
309.07962	1.4
310.08804	100.0
311.09134	14.6
315.06549	0.4
327.25519	0.5
357.22849	0.4
357.26678	3.5
358.05487	11.7
358.23007	0.5
358.26941	2.1
359.05908	1.7
359.14664	0.6
359.28140	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	359.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50413	3.3
59.01264	44.0
61.98728	4.7
70.85233	11.7
71.01260	5.1
71.04897	9.1
81.03349	5.3
96.95915	4.2
108.02061	21.5
121.02906	5.0
121.06529	7.5
123.04420	8.3
137.05998	7.8
149.14478	3.6
199.13385	100.0
200.13712	8.5
217.00275	21.7
217.10817	8.1
233.11861	25.4
251.12917	64.5
278.32437	4.0
287.16589	14.3
305.17578	46.8
306.17761	4.0
323.18671	11.8
359.07278	5.3
380.85681	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	359.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	7.4
59.01261	20.0
59.03873	1.9
69.03339	8.5
71.01273	8.1
71.04909	4.6
73.02843	7.2
81.03349	10.7
83.04918	17.1
84.02036	2.3
85.02847	21.7
85.06446	2.6
87.04436	3.6
93.37450	2.2
95.04924	10.1
97.02854	3.9
97.06480	5.0
98.20557	8.6
99.04428	5.5
101.05984	8.1
106.45828	2.1
107.04987	2.5
109.06479	3.1
111.04420	7.8
121.06506	5.0
123.08057	2.5
125.09641	8.9
127.11195	8.5
137.05968	4.2
139.07620	2.9
151.07600	6.0
155.10727	3.2
157.08653	12.4
167.10666	2.2
171.10220	88.3
172.10593	3.7
177.12778	6.3
185.11801	18.5
191.14386	2.8
197.11794	8.2
199.09772	6.5
201.11282	74.2
202.11641	2.9
203.10899	4.3
209.11905	8.0
211.13390	4.1
213.11328	9.6
215.12869	12.7
221.11880	25.3
223.13397	7.8
227.12825	7.8
231.12378	6.8
235.13518	6.3
239.12891	52.3
240.13245	4.6
241.14481	2.8
247.13474	9.8
249.14908	3.9
253.14590	4.5
257.14011	24.6
265.14502	5.7
267.16171	4.4
271.15518	7.4
275.07141	2.6
287.16574	3.7
305.17599	12.4
323.18619	10.1
341.19714	56.5
342.20135	4.1
359.20837	100.0
359.27576	19.0
360.21201	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	361.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
70.73901	4.5
70.74264	3.7
77.31130	1.9
78.95816	2.1
81.57406	2.0
87.00760	4.0
90.13331	1.9
123.00800	1.7
152.99536	6.0
182.99706	1.7
204.10933	2.2
206.45500	2.0
241.60645	2.2
351.65329	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3225
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
50.67383	0.6
55.42719	0.6
59.01245	0.8
62.66580	0.5
63.15267	0.6
64.21447	0.6
71.46236	1.3
71.46561	0.6
100.55159	0.6
141.33669	0.6
199.00743	1.7
309.31674	3.2
355.20129	3.7
355.32245	100.0
356.32581	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.0
61.98716	100.0
69.22658	4.0
69.23084	1.9
94.24821	0.5
105.90414	0.4
119.96459	0.4
121.02875	2.0
125.01960	0.4
221.15375	0.7
280.48862	0.5
298.03790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82343	0.8
53.18710	0.6
56.15662	0.6
57.03338	0.7
59.01265	100.0
61.98737	0.6
64.39197	0.6
71.01293	0.9
71.58540	0.9
73.00118	0.7
75.00798	0.8
98.31956	0.7
118.58922	0.8
121.02886	8.3
201.11334	0.8
208.99515	0.8
223.13399	9.9
258.65750	0.8
261.64392	0.8
297.17264	2.0
308.74005	0.8
357.06165	3.5
357.22885	0.7
357.26837	1.9
376.59598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	3.0
59.01265	8.4
61.98728	1.8
67.97895	1.3
69.03337	4.5
69.49863	1.4
71.01272	3.9
71.04896	1.8
71.59779	2.8
80.02553	1.9
81.03347	3.7
83.04901	1.4
85.06491	2.2
87.04402	2.0
89.01804	1.2
93.03358	6.1
95.04926	1.3
96.95879	1.9
97.02863	4.7
97.06482	5.0
99.04414	2.3
108.02081	5.8
109.02866	1.7
109.06503	25.7
110.03662	2.0
111.04482	1.4
111.08082	1.5
113.02396	1.4
113.06016	3.3
115.13772	1.5
121.02896	2.6
121.06508	13.8
123.04417	2.2
123.08078	36.8
124.08433	2.2
125.06044	2.7
125.09633	23.2
127.11197	6.2
133.06483	2.0
135.08107	2.1
137.06010	24.1
137.09660	2.7
138.03159	4.0
139.07626	6.8
139.11212	2.1
141.05521	3.4
149.05991	4.8
151.03978	1.6
151.07585	8.6
153.09059	1.6
155.07101	4.1
155.10727	2.7
159.04405	1.7
161.06117	1.5
165.05463	1.9
165.09222	2.8
167.07091	91.8
167.10760	3.1
168.07439	3.5
169.12274	1.8
171.10214	38.6
172.10516	2.4
173.04547	3.2
177.05571	4.1
178.06354	1.5
183.10194	1.4
185.00880	1.5
185.08116	7.5
185.11751	2.2
187.09712	4.7
199.09727	5.3
201.11307	100.0
202.11667	6.8
203.07069	1.9
211.09816	2.6
213.11296	6.8
215.12897	1.5
217.10820	5.6
221.07979	1.6
221.11786	2.2
229.10815	19.7
230.11211	1.8
230.49706	1.4
239.12952	4.0
277.18079	5.7
285.15045	2.5
293.17798	3.0
303.16028	16.9
304.16312	2.5
321.17148	84.7
322.17316	9.4
339.18066	10.3
339.25854	1.4
357.15295	1.9
357.19580	8.4
357.26553	22.6
358.26837	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	355.2288
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.05408	1.3
59.01265	7.5
66.30386	1.0
74.43855	1.3
85.02840	2.2
92.76105	1.3
109.02860	2.3
111.00789	1.4
122.03648	10.0
135.04445	25.3
136.01587	2.0
137.38229	1.2
147.08104	2.5
149.09679	8.3
151.07520	2.3
154.02647	3.0
161.04486	1.4
161.09665	9.6
163.07607	3.0
163.11232	56.6
164.08383	18.0
164.11569	4.1
165.09149	11.2
169.72783	1.3
177.09167	74.5
178.09932	23.7
179.10728	77.6
180.11063	4.6
183.10263	3.4
187.11243	2.2
191.10730	10.2
193.08681	8.7
280.14746	2.8
298.15808	52.1
299.16385	7.3
309.22299	1.9
337.21802	55.1
338.22339	8.1
340.20486	99.3
341.20874	11.8
355.22858	100.0
356.23178	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	355.1044
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01262	8.9
59.06218	0.5
69.84837	2.7
71.01263	4.3
72.99169	0.7
77.91545	0.4
85.02840	1.0
89.02339	2.9
100.17216	0.5
101.02328	1.8
110.09148	0.4
113.02360	2.2
113.34006	0.5
119.03440	0.6
123.00296	0.5
132.02095	12.5
134.03641	7.3
147.04468	0.4
149.06026	1.4
160.01604	58.8
161.01906	2.4
173.04388	0.5
175.03960	100.0
176.04318	5.8
177.24411	0.5
191.07129	2.1
193.05035	20.1
193.06804	1.0
194.05406	0.8
202.02737	1.3
207.06590	0.8
217.05055	6.6
218.05458	0.5
222.12950	0.6
235.06058	2.7
265.07147	1.0
295.08313	2.6
296.80594	0.5
355.10382	7.7
356.10370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1045
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.74961	0.9
56.08063	1.0
59.00993	1.5
59.01268	20.4
60.60487	1.0
69.03341	1.4
71.01271	10.1
71.58174	1.1
72.99212	1.5
85.02839	4.7
87.00761	1.6
88.29371	0.9
89.02324	7.6
93.03353	1.5
95.01292	1.0
96.95892	1.2
99.00789	1.0
101.02357	3.6
109.02914	1.1
113.02348	4.0
119.03402	1.3
119.04945	1.0
121.02872	1.2
122.23362	1.0
132.02112	13.5
133.02907	1.3
134.03661	22.6
134.12648	0.8
135.04395	1.7
136.01508	1.0
137.02402	4.9
138.02707	2.9
147.04486	2.8
148.04037	1.1
148.05211	1.1
149.06006	4.0
150.05460	1.3
151.03964	8.8
151.10399	0.9
151.94456	1.0
160.01608	75.7
161.01952	3.7
167.05847	7.4
168.06242	7.5
173.04504	2.7
174.03246	1.1
174.04793	1.1
175.03960	100.0
176.04454	8.1
178.02635	1.6
191.05600	2.0
191.07124	7.3
193.05037	26.0
194.05440	1.2
195.05247	1.1
202.02640	1.9
206.88402	1.1
207.06516	1.8
209.06625	1.6
217.05077	5.2
217.29190	0.9
235.06122	12.3
236.06554	1.1
265.07281	5.9
295.08267	10.0
296.08771	1.5
337.11276	2.5
355.10568	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	355.1043
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01267	5.5
60.39706	0.5
66.36063	0.4
67.11556	0.4
69.03349	1.4
71.01263	2.3
71.22328	1.0
85.02843	0.8
89.02344	1.7
90.12622	0.5
98.99205	0.4
101.02356	0.9
111.00784	0.5
113.02365	0.7
119.03442	0.5
121.02867	1.5
132.02081	4.9
133.02861	1.6
134.03667	61.4
135.04005	2.6
137.02373	9.1
139.03963	2.4
149.02361	1.1
149.06026	18.4
150.03145	0.9
150.06329	0.7
160.01610	27.3
161.01949	1.0
173.04556	1.5
175.03963	44.7
176.04364	2.5
178.02678	34.3
179.03000	1.2
185.00829	0.6
191.05556	1.0
191.07201	0.7
192.06052	0.5
193.05034	100.0
194.05399	6.0
217.05135	2.4
235.06091	1.3
257.52545	0.5
295.08221	1.1
306.45154	0.5
310.63516	0.5
325.34454	0.5
355.10373	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	355.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.1
57.03341	14.9
59.01264	21.5
71.01263	15.3
71.56132	2.7
71.56558	4.5
74.54789	2.9
76.69678	2.8
85.02847	100.0
89.02328	3.9
101.90012	3.7
129.01836	7.5
133.25511	3.1
147.02921	5.1
158.49283	3.0
172.90077	3.1
191.01964	20.9
209.03018	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0832
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
59.01044	1.2
59.01266	12.1
60.21083	1.1
69.71149	8.7
71.01266	2.3
83.04951	1.2
94.20774	1.1
101.02339	1.4
119.04931	17.4
121.02872	88.7
122.03202	3.6
126.40679	1.2
133.06505	1.9
152.07117	1.4
158.02444	1.2
159.41360	1.2
161.04465	1.7
162.03163	1.9
163.03981	12.2
164.04391	1.1
181.06569	4.4
190.05080	3.3
194.02228	1.6
225.05547	1.6
311.09317	100.0
312.09616	12.3
346.18265	1.1
346.99103	1.3
355.08331	59.6
355.12344	2.3
355.25299	1.5
356.08713	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.8
57.03317	1.0
59.01265	5.3
62.76155	0.5
67.01772	3.3
69.03339	100.0
70.03663	2.6
70.87224	1.8
71.01273	2.5
71.08208	0.5
72.99192	2.0
79.01788	1.9
80.98141	0.5
81.03353	0.7
85.02844	7.8
87.00783	1.1
91.01794	0.6
93.03360	8.6
94.03699	0.7
94.49793	0.6
95.01286	2.4
96.82575	0.5
97.02846	20.9
98.03192	0.8
99.00777	24.5
99.04398	0.7
107.04917	1.6
108.02080	1.1
109.02885	1.3
111.00806	0.7
111.04439	2.3
113.02381	0.8
123.00814	1.6
123.04454	2.9
127.03953	1.5
133.02925	0.9
134.03658	1.4
135.04440	18.7
136.04790	1.1
137.02347	2.1
141.01860	6.8
148.03003	0.5
149.05960	1.0
151.96048	0.6
152.01071	1.2
155.03418	2.0
155.42365	0.5
161.02362	2.0
162.02817	0.6
162.69334	0.5
167.03436	4.3
167.05797	1.3
173.04495	31.2
174.04869	1.8
179.03458	15.8
180.03844	0.7
185.00874	56.2
186.01227	2.1
187.97888	0.5
191.05577	61.7
192.05885	2.8
203.01871	1.6
265.57288	0.8
353.05200	13.4
353.08975	5.7
354.05505	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	353.213
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01262	0.9
60.78828	0.1
68.73605	0.2
70.64767	0.4
76.55219	0.1
96.95918	0.8
98.19839	0.1
107.04935	0.2
107.80734	0.2
109.34923	0.2
147.08095	0.3
156.96927	0.2
163.11235	85.6
164.11572	5.5
173.04489	0.2
174.58456	0.2
177.09171	69.7
178.09505	5.0
190.09973	0.3
191.05554	0.4
222.08998	0.6
265.09180	0.2
315.90228	0.2
353.21280	100.0
354.21619	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	353.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	7.3
69.03367	0.9
71.01262	1.0
71.38309	0.8
71.38641	0.9
75.24978	0.7
80.02618	0.8
85.02850	1.2
92.05943	0.7
93.03356	3.3
96.95878	0.8
107.04906	0.9
108.02090	0.7
109.02877	1.6
112.86134	0.8
115.05460	1.6
121.02887	5.5
122.03616	2.4
124.01557	1.2
128.81926	0.8
130.11584	0.8
131.04935	1.5
133.02888	0.8
134.03667	18.5
135.04463	12.8
136.04758	0.9
137.02383	2.0
143.04942	1.6
145.02901	7.5
145.06538	2.0
146.03685	1.9
147.04433	2.7
149.06032	22.1
150.06332	1.2
154.02768	0.8
158.03702	3.5
159.04453	29.2
160.04958	1.8
161.02368	2.8
161.06007	4.1
172.05215	0.8
173.04509	3.2
173.06033	9.4
174.06802	4.1
176.04753	1.8
179.03439	2.9
183.04362	1.2
185.06114	1.5
187.03943	7.8
188.04771	8.0
189.05537	2.1
191.05560	5.5
199.76675	0.8
200.04771	1.8
201.05566	49.9
202.06319	33.2
203.06725	2.6
205.31680	0.7
211.03242	0.7
215.07101	3.4
216.07912	1.5
217.08690	34.1
218.09097	2.3
231.10207	2.3
337.10953	0.9
338.11661	10.5
339.11880	1.3
353.14017	100.0
354.14368	12.1
367.17639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0885
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.41938	0.4
59.01262	7.3
66.90719	0.5
67.01775	0.6
69.03332	1.4
71.01263	1.2
71.15013	0.8
71.15352	0.8
83.04907	0.8
85.02842	9.1
87.00771	1.4
87.39536	0.5
88.68616	0.4
91.05434	0.7
93.03360	4.7
99.00768	0.6
107.04937	1.7
109.02872	0.7
111.04427	2.5
117.03370	0.7
123.04435	0.5
127.03921	1.6
133.02858	1.7
134.03664	6.4
135.04442	72.2
136.04778	3.5
137.02330	0.8
149.06012	0.4
153.05470	0.7
155.03392	2.3
161.02411	3.8
171.02979	0.8
173.04500	7.7
179.03453	51.8
180.03786	2.9
191.05579	100.0
192.05913	5.1
232.33588	0.4
278.35745	0.5
307.28577	0.5
341.49203	0.4
353.08856	13.6
354.09222	1.6
372.30066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0887
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
51.00719	0.8
59.01268	7.1
62.29793	1.0
65.11095	0.9
67.01777	2.0
69.03346	7.6
69.50463	7.6
71.01273	3.3
79.63319	0.8
85.02856	8.4
87.00768	2.8
93.03356	16.6
93.63736	0.9
97.02841	2.5
99.00791	2.7
108.02097	0.9
109.02850	0.9
111.04433	3.6
123.04415	3.3
127.03903	1.0
133.02899	1.6
134.03642	4.4
135.04453	64.8
136.04805	2.6
137.02365	1.9
141.01855	3.9
152.01021	0.9
155.03432	4.9
161.02417	4.6
166.38152	1.0
167.03423	9.7
173.04512	56.8
174.04884	2.3
179.03467	72.3
180.03860	4.7
185.00877	4.1
191.05588	100.0
192.05956	5.8
203.01933	2.7
226.14642	1.1
353.05307	1.7
353.08865	24.5
354.09192	3.2
359.85013	1.0
359.89740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0886
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01266	2.0
67.01775	7.8
69.03338	2.9
71.01268	5.1
71.33908	3.2
72.58208	1.4
77.92933	1.4
85.02847	12.4
87.00784	1.8
87.32147	1.5
93.03362	43.3
94.03701	2.4
109.02844	3.0
111.00756	2.2
111.04415	6.9
117.75500	1.5
133.02847	2.6
134.03639	5.6
135.04454	100.0
136.04773	5.9
137.02367	5.0
155.03468	4.8
161.02374	6.1
173.04523	58.9
173.06015	3.1
174.04826	2.2
179.03476	36.6
190.71898	1.4
191.05589	51.1
242.27902	1.5
254.80449	1.6
353.08817	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	353.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03340	0.9
59.01262	2.7
67.01775	3.1
69.03345	8.4
70.59303	0.7
70.59703	0.8
70.70683	0.3
71.01270	3.0
73.02834	0.6
81.03339	0.9
83.04919	1.1
85.02843	10.1
87.00771	2.2
93.03358	21.7
94.03707	0.7
97.02869	1.3
98.93436	0.3
99.00785	2.5
99.04412	0.9
104.27576	0.3
109.02864	1.6
111.00764	0.6
111.04426	5.4
113.02348	0.5
121.06709	0.4
127.03936	2.9
133.02864	1.5
134.03714	2.2
135.04451	53.7
136.04790	2.6
137.02382	4.4
138.02725	0.7
141.01938	0.5
155.03484	3.9
161.02399	4.5
171.02971	0.7
173.04510	63.9
174.04829	3.4
179.03461	41.4
179.05135	0.7
180.03818	2.1
185.00870	1.9
191.05586	100.0
192.05917	4.2
308.79022	0.4
353.05347	0.5
353.08844	8.5
354.09216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	4.6
56.94711	0.7
58.29718	0.5
62.39909	0.5
67.01791	0.6
69.03341	100.0
70.03673	2.2
70.96034	1.0
71.01292	1.2
72.99203	1.0
79.01782	2.5
85.02855	0.9
91.16012	0.5
95.01298	2.3
97.02847	19.0
99.00778	25.0
108.02076	1.3
123.00784	1.0
123.04457	2.0
135.04449	1.6
137.02448	0.6
141.01860	8.5
146.42937	0.5
152.01112	1.7
158.02267	0.6
167.03435	3.8
167.05801	0.5
173.04501	2.4
175.48706	0.5
179.03517	1.1
185.00882	53.0
186.01276	1.8
191.05594	1.9
203.01921	0.9
263.92111	0.5
353.05151	13.7
354.05557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02179	0.2
59.01263	100.0
59.09513	0.3
60.01606	1.2
64.45812	0.2
70.91414	0.6
70.91767	0.3
71.01267	1.0
71.35291	0.3
72.24702	0.3
72.85828	0.3
85.02873	0.7
93.03387	0.3
93.91021	0.2
99.04401	2.7
101.02370	1.1
102.42954	0.3
113.02373	0.7
129.06781	0.3
133.02892	0.7
161.04593	0.4
173.04501	1.4
246.37291	0.3
249.13567	0.3
269.10504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83941	1.7
55.01762	3.3
57.03337	2.5
59.01266	86.1
66.65638	1.4
67.01767	6.9
67.44890	1.5
69.03345	45.2
70.91022	4.0
71.01273	37.1
72.99202	1.7
73.02837	38.0
75.00777	2.4
81.03295	1.7
83.01295	9.0
85.02840	15.0
87.00771	11.5
89.02341	4.4
92.04961	5.8
93.03364	32.1
95.01269	3.5
96.79182	1.8
97.02825	11.5
99.00780	15.6
101.02347	25.1
109.02830	4.0
111.04423	7.2
113.02361	9.3
116.04960	3.9
118.02913	6.3
119.03384	1.9
119.04942	6.7
120.04452	5.2
121.02905	2.6
127.03935	3.5
131.03656	5.4
132.04509	14.7
133.02870	5.3
134.03639	7.5
135.04439	26.3
137.02365	7.3
141.01810	3.5
143.03447	2.5
144.04491	18.5
146.02420	72.3
146.06059	4.8
147.03214	61.1
147.04410	3.8
148.03979	15.0
149.04433	2.6
150.05560	3.0
152.01125	2.0
155.03442	6.0
156.03151	1.9
158.06068	4.1
160.03981	90.6
161.02402	3.8
161.04417	7.4
163.03967	4.0
167.03336	2.0
172.03996	19.5
173.04512	87.5
174.05673	11.6
176.03947	2.3
178.04953	2.5
179.02158	8.4
179.03482	14.2
185.00871	29.7
185.04655	2.1
186.05602	6.1
191.05583	86.6
192.05824	3.0
193.05017	3.6
194.77359	1.7
200.03552	2.0
202.05118	15.2
204.06551	2.1
214.05054	19.0
223.07848	1.7
239.07274	2.3
243.05856	2.7
265.07288	15.8
265.57642	2.4
267.06824	1.8
269.08249	2.1
289.28839	2.0
292.08228	5.5
295.06177	3.2
310.09415	7.3
313.10959	2.6
339.05206	16.4
340.05511	3.9
352.10455	100.0
353.04984	6.0
353.10229	9.1
357.09921	5.5
358.10385	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	351.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01623	0.3
59.01265	100.0
60.01596	1.4
67.01791	0.5
69.03333	0.8
69.57093	2.6
69.57505	0.7
71.01277	0.6
75.35171	0.4
79.05775	0.5
85.02852	1.1
85.53722	0.4
87.00794	0.5
89.18736	0.4
89.91413	0.5
93.03354	3.4
101.02348	0.5
109.37833	0.3
111.00856	0.5
121.02922	0.4
123.97740	0.4
133.02850	2.1
135.04460	2.5
137.02432	0.8
145.57141	0.4
153.03964	0.4
155.03514	0.9
161.02432	1.2
171.09413	0.5
173.04518	9.2
173.05995	0.6
176.04021	0.8
177.01990	0.8
179.03528	1.2
191.05556	4.2
243.05984	0.6
271.14990	0.4
339.05121	0.9
352.69336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.5
57.03328	1.8
58.00488	0.6
59.01263	16.0
61.83866	0.5
62.54562	0.5
67.01768	1.1
68.99696	0.9
69.03356	1.2
69.42519	5.0
71.01268	12.7
72.99189	2.8
73.02846	0.9
75.00761	14.8
81.03324	0.7
83.01271	1.1
85.02839	16.7
87.00771	5.6
89.02340	3.4
93.03371	3.0
93.18773	0.5
95.01302	4.1
99.00779	7.9
101.05982	100.0
102.06315	3.0
103.00268	1.6
109.02854	0.7
111.00756	1.1
111.04433	0.7
113.02351	19.9
114.02710	0.6
115.00288	1.5
117.01830	2.5
123.04489	0.8
129.01860	1.4
133.02861	1.9
135.04424	1.8
144.48792	0.5
173.04491	6.3
175.02431	2.8
177.01936	0.6
179.03433	0.9
191.05585	4.7
205.07121	0.9
213.84253	0.6
217.71927	0.6
231.05124	2.3
249.06177	15.7
250.06552	1.0
251.03624	0.5
267.07141	1.7
291.10849	1.4
328.61731	0.5
333.12039	2.7
339.05051	1.6
351.13031	76.5
352.13330	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	351.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13502	0.8
59.01263	7.3
64.83243	1.0
68.28089	1.0
69.24928	2.0
69.25343	8.5
85.24370	0.9
98.19759	1.9
108.02070	3.2
109.44687	0.9
133.02875	2.0
145.02867	4.0
149.71115	0.9
159.85838	0.9
173.04498	3.7
177.01697	1.1
181.76144	1.0
183.64684	1.1
201.35246	1.0
206.07304	3.8
219.08162	36.5
220.08530	3.6
222.06854	3.2
233.06055	4.5
234.06886	5.6
235.07660	17.2
237.05598	14.3
238.05936	1.7
246.06917	2.4
247.07671	100.0
248.08157	16.9
249.09251	52.5
250.06357	10.0
250.09506	5.7
251.07103	3.4
252.07753	1.1
263.07159	40.8
263.10760	11.9
264.07541	4.7
264.11142	1.1
265.05234	1.4
274.06488	2.1
275.07120	4.0
277.08795	1.2
279.10333	12.4
280.10693	1.2
289.08762	3.0
290.05829	2.0
291.06714	17.9
292.07474	29.4
293.08038	3.2
307.09787	22.1
308.10120	1.4
351.08661	1.0
351.13010	1.2
368.74115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0882
Annotation	Detetrahydroconidendrin
Peak:m/z	Relative Intensity
53.04865	0.4
53.48020	0.5
58.68798	0.4
59.01255	1.9
64.24483	0.4
64.44592	0.4
69.26141	5.0
73.36945	0.4
91.61955	0.5
93.03322	0.9
98.20499	0.9
99.93859	0.4
127.69845	0.4
133.02789	0.5
173.04536	0.9
177.07094	1.8
189.07060	0.7
191.04897	0.5
191.08600	1.0
193.06578	3.6
195.08157	4.4
198.39055	0.5
199.03995	1.7
203.08717	0.5
205.06593	4.4
209.06140	2.5
217.06593	1.5
219.08171	2.8
221.06061	4.3
222.06488	0.5
223.07634	4.2
224.07916	0.6
227.07091	1.0
232.05284	1.9
233.06090	10.2
234.06847	5.8
235.07590	1.5
236.04807	6.2
237.05600	9.1
238.05902	0.6
246.06744	0.5
247.07707	1.5
248.08434	0.8
249.05652	2.2
249.09250	19.3
250.09578	1.8
251.07170	19.7
252.07481	1.6
260.04803	0.7
262.06396	0.7
263.07211	3.1
263.10831	2.0
264.07928	1.7
265.08401	0.6
275.07184	9.0
276.07617	0.9
277.05130	7.7
277.08411	0.8
279.10309	7.0
280.10687	0.9
288.79443	0.5
292.07486	100.0
293.07901	13.1
295.14890	0.4
307.09818	56.3
308.10214	6.7
319.02521	2.1
323.09180	1.3
337.07681	0.5
351.08752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01596	0.9
67.01797	0.3
69.03349	0.3
71.01281	0.7
71.57784	0.5
73.02840	0.3
85.02847	0.5
87.03374	0.2
89.02347	0.3
93.02863	0.3
93.03352	1.5
99.00838	0.3
101.02312	0.3
105.03365	0.3
111.04439	1.1
121.70712	0.3
122.61874	0.3
133.02927	1.7
135.02763	0.4
135.04485	0.7
137.02406	0.4
154.06328	0.2
155.03485	1.0
161.04489	0.2
165.04250	0.2
173.04504	3.7
177.01985	0.3
179.03468	0.6
191.05687	0.5
206.78288	0.2
249.13588	0.4
337.03195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.088
Annotation	Salviandulin E
Peak:m/z	Relative Intensity
51.82698	0.8
52.71898	0.9
59.01263	10.6
59.44687	0.8
69.28997	0.9
71.01287	0.9
71.57677	1.6
93.03365	1.4
96.95918	1.7
101.64369	0.8
109.04198	0.8
120.93835	0.9
121.02841	1.1
133.02859	2.8
145.02895	8.8
167.80711	1.0
173.04478	2.3
177.01863	1.3
204.05852	3.3
205.06540	5.8
206.07158	1.6
219.08174	4.3
221.06125	3.7
232.03500	0.7
232.05296	28.2
233.06090	46.2
234.06631	5.6
237.05539	3.0
243.08144	1.8
246.06941	1.5
247.07683	18.2
248.08266	4.5
251.07124	3.5
259.04041	1.4
260.04810	16.3
261.05518	11.8
262.06140	1.5
263.07132	1.7
263.10690	1.3
264.07953	3.9
265.05106	13.7
266.05643	1.1
271.07468	1.6
274.06421	1.9
275.07199	24.5
276.07526	3.4
277.05109	2.1
280.07455	1.9
289.08673	1.6
291.06793	1.3
292.07471	56.3
293.07932	6.2
304.03842	4.7
307.09818	100.0
308.10129	11.3
309.67291	0.9
319.06174	72.5
320.06516	11.2
351.04712	1.8
351.08719	15.0
351.12527	1.9
351.21481	1.5
352.09134	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	351.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87230	0.9
55.01764	1.2
57.03330	2.9
59.01264	24.2
67.01778	1.9
68.99706	1.4
70.95654	2.3
71.01270	19.1
72.99188	5.1
73.02835	2.0
75.00760	14.0
83.01290	0.9
83.28981	0.8
85.02840	23.5
87.00782	7.7
89.02356	4.7
93.03374	6.2
95.01273	7.4
95.55348	1.0
99.00777	8.5
101.02349	2.5
101.05987	88.3
102.06307	1.9
103.00286	2.0
105.03379	3.9
111.04425	2.1
113.02358	23.7
115.00287	1.7
117.01848	2.8
123.04493	1.4
129.01823	1.8
133.02888	15.8
135.04440	3.5
137.02405	1.4
146.02441	2.6
147.03185	2.0
150.03154	1.3
155.03458	2.0
157.01466	1.2
160.04001	3.0
163.03870	0.9
173.04510	18.2
175.02437	2.9
177.01884	7.2
178.02507	1.4
191.05544	4.5
205.07164	2.6
205.89354	1.0
223.08237	1.0
249.06175	5.5
267.07257	4.5
292.08563	1.3
311.05780	1.3
333.12119	2.0
351.13037	100.0
352.09961	0.9
352.13644	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	349.1876
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01765	1.0
57.03345	0.5
58.00488	1.5
59.01266	31.1
60.01584	0.5
65.07671	0.3
69.03340	3.7
70.98791	0.7
71.01271	19.6
72.99197	2.5
73.02845	1.1
75.00757	0.7
81.14210	0.3
83.01267	1.5
84.69405	0.3
85.02837	4.5
87.00775	1.8
89.02341	13.9
95.01289	1.6
97.02847	0.8
98.20129	0.3
99.00793	1.5
99.04429	2.4
100.28259	0.3
101.02351	12.8
104.98206	0.3
113.01620	0.6
113.02364	7.1
119.03419	5.6
125.09594	0.3
126.34233	0.3
131.03421	0.3
136.78700	0.3
139.11215	1.2
141.12788	27.9
142.13121	1.3
143.03410	0.5
149.04529	0.3
155.14371	0.9
161.04491	0.5
169.12300	5.8
171.13855	1.6
179.05560	0.5
183.13884	2.2
185.00787	1.5
187.13368	55.3
188.13684	2.9
229.14503	1.7
249.06183	0.5
289.05136	0.6
305.08270	2.4
331.06165	0.6
349.18750	100.0
350.19052	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	351.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52731	0.3
59.01264	4.3
64.12774	0.4
68.47545	0.3
70.11909	0.7
70.12305	0.9
79.95627	1.2
93.03359	0.5
105.03332	0.4
109.02865	2.8
133.02882	0.7
140.63396	0.3
145.02869	0.6
146.03674	0.9
173.04520	1.5
175.03979	1.2
215.08646	0.5
219.08095	0.6
243.08176	50.1
244.08545	5.6
271.07693	100.0
272.08038	11.5
289.08798	0.7
307.09955	0.4
321.07648	1.0
336.09988	1.5
351.03387	19.0
351.12369	3.4
352.03549	2.6
352.12903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1562
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
57.03338	1.3
58.00484	2.7
58.84381	0.6
59.01264	47.3
69.03332	2.0
69.39850	6.6
71.01269	30.1
72.99208	3.4
73.02839	1.1
75.00755	1.5
78.61990	0.7
83.01278	1.6
85.02833	6.4
87.00771	1.3
89.02339	22.7
89.57887	0.7
90.43488	0.7
93.03388	1.0
95.01283	1.5
101.02341	17.5
113.02360	9.9
119.03416	11.7
119.08640	0.8
121.10149	34.0
122.10461	1.7
137.09656	7.8
161.04520	0.8
165.09158	55.4
166.09506	3.4
173.04555	1.1
179.05580	1.5
183.10237	35.1
184.10583	2.0
225.11307	1.2
288.81558	0.7
345.15607	100.0
346.15991	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	347.2
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89845	7.7
59.01273	77.1
64.02158	7.1
71.59739	11.7
73.61636	8.3
95.81123	6.8
101.02329	11.9
111.08044	7.3
115.22962	7.0
167.52570	7.4
171.10179	36.6
193.12317	13.5
211.13426	14.1
223.83574	7.7
249.11084	15.4
293.21252	90.0
293.94733	9.3
294.21838	12.0
309.20776	21.2
311.22333	100.0
312.22836	12.1
329.14047	10.5
347.18668	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	64.9
65.83524	5.9
71.01273	14.9
71.58303	7.2
72.77242	5.7
74.98991	8.2
75.00768	15.7
89.02303	6.4
93.03367	5.7
93.86334	6.0
96.95908	6.4
99.95692	6.3
101.02365	8.9
103.00278	22.1
104.28281	5.2
110.96484	6.0
118.99220	5.1
125.09332	5.9
139.53342	5.7
176.08521	5.5
217.06604	36.9
219.08128	97.1
233.09824	10.0
235.07718	16.3
245.06105	62.6
247.07596	8.0
249.09132	39.2
261.05765	7.5
263.07150	26.4
273.05682	55.1
274.06003	7.0
275.07175	19.8
277.08917	16.6
289.04999	48.0
290.05661	16.8
291.06818	45.8
292.06949	6.1
305.08167	8.2
307.06171	100.0
308.06433	13.1
341.05777	6.5
349.07031	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	349.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17454	2.0
59.01260	27.4
68.94292	2.3
69.03342	2.2
71.01274	20.5
71.56836	3.5
72.93368	2.3
72.99209	3.5
73.02823	3.9
78.95797	3.0
85.02845	3.8
85.09454	2.3
85.68457	2.3
87.00775	3.4
89.02341	24.2
90.37050	2.3
96.96813	5.4
101.02349	25.1
113.02365	7.9
119.03428	8.6
123.21384	2.5
131.03426	5.4
143.03424	4.0
151.05989	5.4
161.04529	3.5
179.05614	21.1
199.30090	2.0
201.80789	2.8
216.43039	2.3
224.98369	2.4
228.49234	2.2
275.99890	2.5
286.28064	2.7
313.11459	100.0
314.12006	5.3
349.05573	4.8
349.09219	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48814	0.3
59.01264	100.0
60.01606	1.1
71.01273	1.1
71.13652	0.8
77.11111	0.3
79.77172	0.3
101.02401	0.4
101.06049	0.5
139.21507	0.3
230.62941	0.3
247.11899	0.3
264.12430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01602	1.4
69.03347	5.4
69.71542	2.9
71.01282	1.6
72.99216	0.6
78.86257	0.4
85.02834	0.7
96.95968	0.5
97.02868	1.1
98.19800	0.9
99.00803	1.6
101.02373	0.9
113.02342	0.9
119.05033	0.5
141.01907	0.5
173.04582	0.6
181.04535	0.5
185.00903	3.0
201.16779	0.4
204.51985	0.5
336.75302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53046	1.0
56.98988	1.1
59.01265	27.3
69.03344	1.2
71.01263	2.8
71.58237	1.5
75.12610	1.0
81.38087	1.1
83.07777	1.1
85.01095	1.1
85.02849	1.5
87.00782	7.1
89.02335	3.9
93.03362	2.9
96.95923	1.0
101.00546	2.1
101.02365	1.3
102.98528	2.0
109.06532	1.5
119.04882	2.6
120.99571	28.3
133.02811	1.6
135.04472	2.0
141.05519	1.5
143.08611	6.4
145.06552	1.9
149.09671	14.8
150.10016	1.2
161.09674	74.2
162.10004	4.7
163.07558	1.7
165.09169	3.4
169.00122	2.4
173.04495	5.4
176.03964	1.6
179.03470	1.9
179.05310	2.1
179.10735	13.1
181.45236	1.2
184.02496	2.6
191.05551	3.6
195.08583	1.3
197.06456	5.1
227.40207	1.0
239.07501	5.9
257.08585	14.5
327.09128	2.0
345.10199	100.0
346.10645	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	344.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36205	1.5
59.01269	20.5
61.46893	1.6
69.03378	1.6
69.86801	6.6
81.77061	1.5
95.04931	1.8
120.01181	11.4
139.13501	1.9
143.08609	5.5
145.06503	2.2
149.09659	18.4
161.09671	100.0
162.09999	6.4
179.10730	16.7
197.06381	5.0
220.61823	1.6
239.07428	5.1
257.08615	22.5
344.11771	66.0
344.15213	5.1
345.12085	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	344.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02126	1.2
52.06332	1.4
54.53009	1.2
56.01577	1.3
58.00477	2.8
59.01265	39.5
69.43689	1.5
70.06327	1.3
71.01270	25.9
71.57124	1.8
72.99191	3.9
74.24460	1.4
85.02853	7.2
89.02342	22.7
92.04951	5.8
95.01267	3.0
99.00752	1.9
101.02344	16.1
106.45944	1.4
108.04452	4.2
113.02345	11.0
119.03432	9.3
120.04467	19.2
122.06035	6.8
129.52599	1.6
136.03958	5.1
138.05542	31.4
164.03484	73.5
165.03812	3.0
178.85930	1.3
178.87671	1.4
180.06563	3.2
259.12103	1.4
300.10880	18.9
301.11563	1.5
344.09937	100.0
344.14645	4.9
345.10379	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	343.2496
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03328	0.5
59.01262	3.7
69.03344	0.8
70.71728	0.5
70.72123	0.7
71.01263	0.5
71.04919	0.4
74.88238	0.3
81.03341	0.3
83.04911	0.9
97.02858	0.4
97.06483	0.7
99.08054	3.3
109.06493	0.9
111.04436	0.4
113.09621	0.3
121.02855	0.9
121.10147	6.4
122.10499	0.3
125.09650	2.0
127.11165	1.7
137.09637	1.9
139.11201	1.7
153.09221	0.8
165.09174	0.8
167.10645	0.4
171.10216	48.6
172.10510	2.5
175.11165	0.5
193.12299	5.2
194.12616	0.5
197.13551	0.3
201.02472	0.7
201.11319	1.3
211.13383	1.0
225.14989	6.9
226.15282	0.5
230.87286	0.3
243.12292	0.6
243.16011	2.3
255.08638	0.3
269.98190	0.4
289.18167	13.1
290.18445	1.6
293.21301	2.6
294.21661	0.7
297.97446	0.8
307.19290	1.7
312.99884	1.0
315.02679	0.3
325.20309	0.6
325.23981	0.5
328.02325	0.9
343.04428	0.8
343.24942	100.0
344.15091	1.6
344.25299	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.6
59.59921	0.5
66.09874	0.6
69.03357	1.0
69.96893	0.5
71.01263	0.9
71.57603	0.7
73.02801	0.6
81.43430	0.5
83.04910	1.4
89.02342	0.9
98.03607	0.7
99.08073	3.0
109.06499	2.2
121.02865	1.8
121.10161	5.4
123.08073	1.0
125.09646	2.5
127.11227	2.0
137.09637	2.2
139.11223	2.1
148.06970	0.6
153.09183	0.8
160.61024	0.6
165.09200	0.9
171.10222	44.3
172.10573	2.3
172.98976	0.6
193.12363	5.0
201.02492	1.4
201.11261	1.7
211.13371	0.7
220.06679	0.5
225.15002	6.7
243.16125	2.0
245.19160	1.0
269.97925	0.7
289.18161	26.9
290.18524	4.0
293.21353	2.5
297.97662	1.6
307.19290	4.0
311.22128	0.7
312.99869	1.6
328.02432	1.9
343.04623	1.7
343.24957	100.0
344.15237	2.9
344.25299	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	343.2131
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03320	2.2
59.01271	13.2
60.49021	1.0
66.41445	1.0
66.87884	1.1
69.03343	1.6
71.01252	3.3
71.57365	1.4
71.57713	1.3
83.04919	2.1
83.06042	1.0
85.02850	3.6
95.04897	5.5
97.06511	2.3
121.02842	1.9
125.09643	2.8
127.11236	1.8
127.31709	1.4
135.08090	1.7
141.09111	1.4
153.09164	2.5
171.10216	19.5
183.13925	1.6
185.11763	4.5
198.34103	1.1
201.11298	9.9
209.11749	5.4
211.13403	9.8
213.11307	1.5
215.12918	6.2
227.12885	2.0
229.14429	10.5
237.14966	4.4
239.12921	3.2
249.15067	2.4
289.18146	2.5
297.97549	2.3
307.19223	5.4
312.99948	2.4
325.20221	7.9
328.02353	3.0
338.86874	1.3
343.04761	2.0
343.21329	100.0
344.15320	6.2
344.21655	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2497
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03341	0.5
59.01269	1.8
66.27147	0.2
69.03337	1.8
71.57823	0.4
76.83134	0.2
81.03354	0.3
83.04917	1.5
97.06487	0.8
99.08054	9.4
111.08075	0.3
121.10138	0.7
123.08054	0.3
125.09643	3.0
127.11248	0.5
137.09660	1.1
149.13274	0.7
151.11241	0.5
153.09175	0.4
163.11224	0.3
165.12791	0.9
167.14336	0.4
171.10208	6.9
175.11232	1.0
183.84488	0.2
185.11754	0.4
191.85588	0.2
193.12311	17.4
194.12779	1.1
197.15402	0.7
201.11307	1.0
211.13362	3.5
212.13788	0.4
225.14961	24.0
226.15283	2.1
243.16045	8.3
243.18617	0.3
244.16446	0.7
293.21429	2.0
311.22293	0.5
313.00018	0.4
325.23831	0.7
328.02264	0.5
343.24951	100.0
344.15106	0.7
344.25272	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	62.3
60.97407	3.2
69.03344	30.9
69.75484	4.0
69.75902	8.4
71.01263	5.3
72.97421	4.0
72.99174	2.1
73.98202	27.9
74.98976	5.8
81.03347	3.0
83.04890	2.8
85.02809	2.3
87.00761	11.8
93.03339	4.8
95.04936	8.7
97.02849	5.5
97.06507	2.9
99.00765	8.3
101.02311	1.7
107.04887	2.0
109.06505	28.1
115.02097	4.1
117.97219	100.0
118.97969	6.4
119.04967	2.5
122.06048	2.2
123.04415	1.6
123.08155	2.0
127.02200	2.2
141.05507	8.8
145.03224	11.2
145.06538	2.1
147.08128	2.1
149.09651	13.5
159.08029	2.3
161.09676	31.8
162.09938	3.1
163.11230	2.0
173.04475	4.9
177.09120	4.3
179.10762	20.0
185.00899	16.9
191.05589	2.6
191.10748	7.7
203.10747	13.1
207.08482	2.6
211.08051	3.8
218.68022	1.8
221.11821	9.9
225.09450	2.8
235.09636	2.7
237.11359	2.7
239.07549	1.8
255.06944	3.5
257.08508	11.2
269.08572	16.3
269.98083	2.1
271.10080	2.8
297.97415	2.4
299.09503	3.6
300.15848	2.3
328.02148	2.6
343.08585	87.8
344.08841	9.4
344.14963	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	343.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48660	11.3
53.55140	12.4
59.01264	100.0
61.71367	12.7
62.24566	11.9
68.83530	12.6
71.32878	11.3
71.58818	23.6
81.61155	10.8
86.50401	12.7
93.25185	14.0
113.02205	11.8
121.02866	29.6
135.52760	14.3
201.02605	17.9
208.02391	14.9
269.98181	22.4
297.97586	35.3
307.19153	73.3
308.19839	13.6
312.99973	42.5
325.22165	12.1
328.02280	31.3
343.04504	30.7
343.15234	17.5
343.24924	25.4
344.15164	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	1.5
71.01272	3.7
71.57639	0.8
78.22416	0.5
85.02851	0.9
87.00798	0.7
89.02339	6.1
101.02370	2.3
113.02387	1.9
119.03423	2.0
163.50145	0.5
173.04536	1.1
179.05600	0.9
225.98790	0.5
326.50311	0.5
343.11792	0.6
343.21490	1.2
344.15250	1.2
344.18958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1976
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
50.68084	1.1
53.19333	1.1
56.10082	1.1
57.03337	6.0
58.00479	3.1
59.01266	33.6
67.01350	1.3
69.03344	3.6
71.01273	26.5
71.04902	6.6
72.99222	1.8
73.02817	2.5
80.02560	2.7
81.03342	7.0
83.04919	5.9
85.02849	4.6
87.04435	2.1
89.02338	25.6
93.03351	3.0
94.74585	1.2
95.01302	1.9
95.04926	4.4
95.50170	1.3
97.06487	4.2
98.03643	5.3
101.02353	8.8
108.02107	1.4
109.02860	1.2
109.06503	37.1
110.06834	1.7
111.04450	3.2
113.02349	10.1
119.03442	9.4
121.06536	2.0
122.03590	1.4
123.08080	18.9
124.13837	1.3
125.06004	3.3
125.09642	25.1
126.09980	1.4
127.07571	16.3
127.11198	13.6
137.09601	1.4
139.11255	1.5
141.09177	3.1
141.12801	1.4
143.03491	2.2
151.07571	4.2
151.11238	2.5
153.09152	3.4
155.10728	4.9
161.04550	2.2
163.11250	1.7
165.09135	4.7
167.10881	1.3
171.10226	18.0
179.05573	9.1
183.10228	2.3
185.11806	5.4
195.10239	3.5
197.11823	3.3
199.09737	11.7
199.13339	2.3
201.11302	100.0
202.11658	5.7
209.11848	25.7
210.12213	1.9
211.13441	1.3
213.09280	3.4
213.11313	68.9
214.11674	4.7
221.11897	1.8
223.13406	1.8
227.12856	6.1
229.80315	1.9
233.11786	2.9
235.13403	2.6
239.12859	1.8
251.12944	24.8
253.14502	1.6
265.14471	2.9
287.16632	21.4
288.16989	2.8
305.17667	19.7
306.17902	1.8
323.18707	36.9
324.19086	2.8
341.11005	15.2
341.19766	78.5
342.20084	8.4
363.92267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77728	0.4
59.01242	1.3
69.03343	2.4
73.66117	0.4
74.23138	0.4
77.68185	0.4
83.04920	1.2
83.78748	0.4
84.02055	4.4
93.04422	0.5
94.78970	0.4
95.04941	0.7
97.02851	1.4
97.06483	10.9
99.04425	1.0
102.31819	0.5
112.50364	0.5
119.08630	0.8
123.08041	0.4
125.09624	1.5
137.09647	1.2
149.13307	0.5
151.11176	0.6
165.12808	0.6
171.10223	16.4
172.10548	1.0
175.11232	0.9
179.05682	0.4
185.11806	0.4
193.12326	15.1
194.12648	1.2
211.13406	3.0
221.11758	0.9
225.14961	22.1
226.15392	2.1
243.16029	8.2
244.16425	0.5
253.14429	1.2
254.28499	0.4
285.38629	0.4
291.19711	1.3
305.21555	0.4
341.23373	100.0
342.23727	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26121	3.1
55.50084	2.5
57.03332	7.1
58.00473	4.5
59.01263	88.0
69.03342	7.7
71.01270	64.8
71.04897	6.8
71.56421	5.4
73.02818	17.3
80.96367	4.2
81.03357	9.7
83.04906	15.9
85.02854	15.9
87.04415	7.4
89.02340	57.2
93.03364	3.1
95.01278	4.0
95.04934	22.7
96.95881	6.3
97.02840	6.5
97.06480	9.7
100.01563	4.6
101.02359	25.6
107.04898	4.2
109.06505	9.2
111.04414	7.2
111.08060	4.6
113.02341	19.6
113.06001	10.5
113.09617	11.9
115.07513	3.2
119.03432	17.4
119.05001	2.8
121.02862	27.7
123.04412	4.1
123.08083	8.6
125.05999	5.4
125.09656	30.1
127.07578	21.5
127.11216	4.9
135.08011	4.5
139.07541	12.6
139.11182	3.3
141.09117	6.9
143.07068	3.1
149.02332	6.2
151.07578	13.9
151.11215	9.0
153.09114	4.2
161.04477	11.4
161.06123	3.3
163.11185	7.2
169.08665	28.5
169.12271	3.1
171.10231	100.0
172.10527	5.1
179.05594	24.7
179.14345	3.2
180.92606	3.2
181.12206	5.5
182.88171	3.3
185.11797	17.8
187.09785	7.6
187.56503	3.2
191.14449	3.2
197.11720	3.9
199.13292	3.8
201.11307	44.4
207.10228	8.9
209.11824	37.1
213.11301	17.0
215.12810	10.4
221.11873	4.7
223.13432	15.2
225.11319	14.9
227.12840	18.5
235.13492	15.2
247.13431	8.8
249.14859	3.5
251.12933	4.3
253.14572	4.4
265.14444	19.4
279.19702	13.8
281.12448	4.6
287.16519	9.0
305.17560	28.5
323.18607	28.0
341.04807	18.7
341.10730	33.4
341.14389	7.0
341.19687	43.9
341.23462	9.7
342.20071	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	341.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	4.4
59.01266	100.0
66.39310	1.4
69.64850	11.3
71.01270	80.9
72.99197	4.7
73.02829	2.8
75.00757	1.7
78.95803	8.2
80.07120	1.4
83.01279	3.3
85.02850	11.3
87.00777	5.6
89.02338	84.8
90.02661	2.0
95.01299	3.8
96.95923	9.9
96.96859	14.1
97.02906	1.5
98.19858	2.9
101.02348	38.2
105.61962	1.8
113.02357	32.1
119.03420	30.4
131.03397	4.5
140.92653	1.6
143.03513	7.6
149.04507	1.7
156.32425	1.6
161.04494	11.2
176.18391	1.5
179.05582	37.2
180.05896	1.5
183.79752	1.4
191.18253	1.4
193.35306	1.5
281.12421	11.1
341.10977	49.4
342.11523	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	341.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.1
57.03335	1.5
58.00479	1.5
59.01264	100.0
60.01602	1.0
63.02593	0.5
67.34943	0.7
68.30651	0.5
68.64546	0.5
69.03373	1.4
69.46698	3.3
69.47128	2.1
71.01270	59.8
72.01603	1.0
72.99198	2.4
73.02836	31.6
73.28548	0.5
75.00786	0.9
78.95792	1.0
81.03371	1.2
83.01277	11.0
85.02837	12.2
85.03297	1.0
87.00789	2.7
89.02341	27.8
92.72432	0.6
95.01278	4.1
96.96879	2.2
97.02836	0.7
98.19846	1.4
99.00791	3.2
101.02347	35.6
102.02728	1.0
109.28364	0.7
113.02359	26.0
118.94538	0.6
119.03484	9.5
119.04938	41.3
120.05299	1.7
123.04397	1.0
125.02390	1.3
129.01868	1.7
131.03467	2.9
133.02856	0.9
135.04457	3.1
137.06033	2.6
138.05588	1.4
143.03424	3.8
149.04521	2.0
155.03397	1.1
161.02420	6.0
161.04494	5.2
167.03438	1.9
173.04430	0.7
179.03424	3.5
179.05562	6.6
179.06985	0.7
281.10345	17.2
281.13263	1.0
282.10889	1.7
299.11417	7.4
300.11694	1.1
341.11362	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	339.2185
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03330	3.6
59.00991	1.6
59.01270	14.4
69.60003	6.3
69.60408	2.0
71.01250	2.4
71.49816	1.0
80.02589	1.7
81.03336	1.2
83.04919	1.7
85.02835	1.4
95.04929	2.0
97.02850	1.9
107.04942	1.2
110.03681	1.4
112.85788	1.0
121.06521	3.6
123.04420	9.4
123.08071	17.2
125.09608	2.6
131.70522	1.1
137.09651	1.7
139.11201	7.3
142.02625	5.3
146.37704	1.0
149.05975	1.5
149.09703	2.5
151.11206	3.6
153.09163	2.4
155.14368	3.0
157.22328	1.1
163.11232	1.7
171.10222	3.0
175.11111	1.4
177.01868	1.4
177.12810	1.6
183.01199	5.8
183.10178	1.7
191.14403	1.5
195.10304	1.3
199.13370	28.2
200.13670	1.5
201.11200	2.3
209.11928	1.4
213.11330	3.2
221.11839	3.4
222.34178	1.0
225.09251	1.2
229.15872	1.4
239.12822	1.2
245.19168	16.0
246.19424	1.7
247.62479	1.1
261.18427	1.2
261.23819	0.9
263.20096	2.1
271.17145	2.5
289.18152	100.0
290.18503	8.1
290.77963	1.1
307.19211	58.0
308.19455	4.4
321.17191	1.6
321.20840	3.1
324.19348	9.5
325.32626	1.3
339.16550	7.9
339.21811	65.7
340.22241	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	339.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	4.2
58.00466	2.6
59.01266	21.9
69.27861	14.7
71.01267	29.9
71.04900	4.7
72.02057	16.6
73.02815	2.5
76.30007	1.4
81.06940	1.9
83.04917	2.2
84.02061	6.0
85.02835	7.2
97.06505	12.3
98.03647	3.7
98.19830	3.9
99.08051	16.6
101.02348	2.1
109.06478	8.7
111.08054	6.2
121.06503	2.8
123.08084	3.5
125.05984	7.1
125.09646	96.1
126.10017	2.1
127.07572	100.0
128.07887	3.1
139.07581	76.9
140.07932	3.0
153.09113	5.2
155.10722	2.5
163.07784	1.6
163.11281	3.0
167.10738	13.2
168.68910	1.5
171.06593	4.5
171.10223	1.8
177.12692	1.8
183.01201	18.7
183.10333	2.0
187.09645	3.0
191.05420	1.6
191.10724	1.8
195.13881	2.6
199.13371	16.2
211.09499	1.8
239.12877	2.5
239.53548	1.5
252.13693	60.9
253.14120	7.5
268.13205	16.5
269.13913	4.2
271.16974	1.8
289.18182	5.7
307.19214	4.4
321.20648	8.6
339.12772	2.0
339.16409	33.3
339.21533	12.5
340.16504	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2335
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.91930	0.3
57.38664	0.3
70.07448	1.9
160.00938	0.3
163.11234	100.0
164.11574	5.4
181.75926	0.3
183.01167	0.6
196.63498	0.4
219.64680	0.3
293.26352	0.4
339.23352	68.1
340.23663	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	341.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65557	0.2
55.01768	1.1
57.03332	1.5
58.00482	4.5
59.01265	100.0
60.01608	1.3
62.98075	0.2
66.91540	0.2
68.29507	0.2
69.03350	0.5
71.01270	74.2
72.01616	1.1
72.99198	3.8
73.02842	2.0
75.00761	0.4
78.95802	0.6
83.01287	2.2
85.02844	10.1
86.03223	0.3
87.00772	4.6
87.01279	0.4
87.69497	0.2
89.02337	78.2
90.02682	1.5
95.01285	4.2
96.96862	0.6
97.02880	0.6
98.19759	0.5
99.00775	0.6
101.02348	33.1
102.02703	0.8
107.03411	0.5
113.02357	27.2
114.02671	0.5
115.32262	0.2
119.03417	27.0
120.03765	0.8
125.02368	0.7
131.03432	4.1
143.03427	7.0
149.04491	3.2
161.04501	9.1
161.05843	0.5
179.05574	31.5
180.05910	1.1
210.12109	0.3
218.84227	0.2
221.06894	0.2
281.08893	0.2
281.12195	0.2
341.10971	44.8
342.11337	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	339.1241
Annotation	Xestosaprol A
Peak:m/z	Relative Intensity
52.02468	0.4
59.01264	6.1
61.14997	0.4
62.54081	0.4
66.61571	0.4
71.01297	0.5
71.58195	0.8
85.02853	1.1
101.02331	0.5
115.95490	0.5
121.06570	0.5
124.96963	0.5
125.09650	0.5
135.04425	0.5
144.64285	0.4
147.04486	0.9
171.10352	0.8
175.03983	0.6
189.05582	1.1
192.83505	0.5
197.11780	0.5
200.04745	1.5
223.07704	1.4
224.08482	1.1
228.04398	0.6
240.07950	1.3
251.07190	0.9
252.07964	16.4
253.08588	4.4
261.09259	2.0
262.10071	3.2
263.10651	2.5
265.08835	2.2
267.06735	0.6
269.08133	0.7
277.18066	0.7
278.09583	0.6
279.10324	49.9
280.10995	26.9
281.11478	1.9
284.06918	2.3
295.13348	0.7
306.00412	0.6
312.10114	38.3
313.10510	3.9
321.17035	1.1
324.10077	1.9
339.12436	100.0
340.12756	11.2
356.82516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	11.3
59.01262	76.2
59.92616	4.7
65.03827	5.2
67.76041	5.0
69.03322	9.8
69.38512	18.8
69.38938	32.0
71.01269	6.9
71.04902	17.3
73.02836	7.4
81.03355	53.0
83.04938	29.2
85.02831	18.8
93.03348	9.1
95.01259	7.0
95.04928	17.2
97.02852	23.1
97.06474	12.6
99.04421	80.0
99.81715	5.3
101.02347	9.0
107.04935	11.0
108.02008	12.6
109.02854	17.6
109.06468	16.5
111.04433	15.5
121.02856	20.8
121.06425	9.4
122.03661	25.9
123.04424	11.4
123.08065	11.6
125.06041	6.5
125.09675	24.9
127.03915	10.5
127.11177	11.5
131.04906	7.4
135.04468	8.7
137.05992	29.6
137.09668	5.8
139.07617	4.8
139.11253	6.5
147.04347	5.6
149.06009	29.5
151.07607	9.1
153.09123	8.7
163.11346	5.4
167.07076	18.2
167.10690	12.8
171.10213	96.3
172.76260	5.3
177.12819	7.3
178.06296	20.9
179.10649	5.0
191.14380	6.5
193.12305	23.8
195.13849	10.3
199.13400	9.8
201.11320	6.7
205.12289	9.5
209.15257	6.9
221.11797	15.0
222.12448	5.2
223.07547	7.4
235.13466	55.2
239.12865	9.7
247.13411	10.8
249.11340	14.1
250.12091	12.8
252.07935	58.4
253.08411	6.2
253.14500	100.0
265.14310	8.3
277.18076	5.3
284.06961	9.0
285.14981	18.8
303.16159	52.4
321.17111	80.9
322.17551	7.8
339.08682	9.2
339.12314	56.1
339.18015	22.3
339.21500	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
59.01271	2.4
67.01784	0.4
70.59370	1.2
70.72143	0.3
82.15329	0.3
83.04902	0.6
85.02844	3.3
87.00793	1.0
93.03372	2.5
99.43928	0.3
111.04446	2.2
113.85371	0.3
119.04946	46.0
120.05280	1.7
127.03919	0.9
137.02341	0.4
155.03432	2.1
163.03958	100.0
164.04265	4.6
173.04527	6.5
191.05583	40.1
192.05925	1.0
216.31674	0.3
231.17345	0.3
337.09354	8.9
337.15393	0.4
338.09622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0939
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
54.68533	0.3
57.03326	0.5
59.01264	17.3
60.99185	0.4
61.77775	0.3
67.01779	2.7
69.03330	0.7
70.44370	0.6
70.44769	0.6
71.01263	1.9
81.03358	0.7
81.44343	0.3
82.87103	0.3
85.02856	2.0
87.00773	0.7
93.03353	19.6
94.03709	0.6
97.36672	0.3
109.02854	1.3
111.00797	0.7
111.04428	4.1
119.04944	15.8
120.05281	0.9
127.03931	0.5
137.02380	3.2
145.02855	0.5
155.03459	3.8
159.65355	0.3
163.03955	15.5
164.04268	0.9
173.04504	100.0
174.04860	3.8
191.05580	13.7
191.07375	0.5
192.05956	0.4
216.09109	0.3
219.99295	0.3
266.04471	0.3
337.09283	6.8
338.09683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01609	0.8
68.42821	0.5
71.01270	2.7
71.59222	0.8
73.02837	0.8
75.00762	0.6
84.11972	0.5
85.02850	1.3
88.00309	2.1
89.02345	1.4
93.03358	1.0
95.01288	0.8
96.95907	0.6
97.06512	2.1
100.41028	0.6
101.02364	1.3
101.95647	0.5
108.02081	13.3
109.02868	5.5
113.02364	1.9
113.05998	48.7
114.06354	1.5
121.02889	1.6
122.03728	0.8
133.02908	1.2
134.03662	2.4
135.04433	0.9
136.01569	1.1
137.02380	9.0
143.03462	0.7
148.03998	6.8
149.02411	1.3
149.04800	2.2
150.03200	0.9
150.05569	0.7
151.03995	1.6
152.03490	2.4
159.20473	0.5
161.02448	4.7
161.04536	1.3
166.05049	15.3
167.05829	3.8
176.03505	1.7
177.04266	1.0
182.57487	0.5
194.04572	5.4
195.05438	2.4
205.08730	1.5
221.03352	0.6
223.84465	0.5
238.03630	2.5
264.12476	1.3
275.11566	1.8
318.10159	0.6
327.76892	0.6
328.09976	0.5
335.07922	2.0
336.11038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87198	0.5
52.62179	0.4
55.01765	3.5
57.03336	2.5
58.00480	1.0
59.01266	29.3
60.01624	0.5
69.03339	1.8
70.91466	1.1
70.91802	0.6
71.01271	100.0
71.04906	1.6
72.01604	1.7
72.99203	2.2
73.02837	16.3
73.03248	0.9
75.00749	1.0
83.01281	6.2
83.04954	0.5
84.02083	0.6
85.02843	23.0
85.99995	4.3
86.03180	0.7
87.00261	0.5
87.00775	10.3
87.04417	2.3
89.01826	0.7
89.02344	8.7
93.03356	2.0
95.01287	4.4
96.95933	1.0
97.02856	2.2
99.00779	8.0
99.04430	4.7
101.02350	29.9
101.06001	0.8
102.02724	0.6
107.93475	0.4
108.02094	1.9
109.02364	0.6
111.00780	1.4
113.02359	20.7
113.05975	0.7
114.65512	0.5
115.03915	2.8
115.07591	2.3
117.05515	2.9
119.03461	2.5
119.04969	1.4
125.02376	1.8
129.01862	1.4
137.02367	1.1
138.02754	0.8
143.03433	1.9
143.07080	2.6
148.04004	1.2
149.04358	1.1
155.28146	0.5
157.01604	0.5
159.02943	5.7
161.04509	28.4
161.08141	51.0
162.04817	0.7
162.08475	1.4
163.03963	1.3
166.05086	0.8
167.05452	0.9
173.04552	5.3
185.00844	1.1
187.09743	10.6
191.02013	0.7
191.05588	10.3
192.05959	0.6
195.05089	0.7
205.03510	1.5
206.12244	0.5
215.09195	4.2
239.04024	0.5
277.12979	18.2
278.13300	1.4
305.12506	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	337.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25819	0.1
57.03338	0.2
59.01264	1.7
60.99181	0.3
67.01771	0.6
69.03332	0.2
70.51308	0.5
71.01263	1.0
73.02832	0.3
81.03329	0.3
83.04919	0.3
85.02841	7.8
85.89030	0.1
87.00776	2.2
93.03358	4.8
99.00776	0.4
101.02345	0.2
107.62709	0.2
108.02053	0.2
109.02875	0.6
111.04426	1.3
112.09305	0.2
113.02361	0.3
119.04947	1.8
127.03931	2.0
137.02321	0.3
140.00526	0.2
145.02888	1.0
149.04283	0.2
155.03378	0.4
163.03946	1.6
171.02930	0.6
173.04532	2.5
191.05582	100.0
192.05931	3.8
337.09317	2.8
338.09491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0726
Annotation	Ustalic acid
Peak:m/z	Relative Intensity
59.01259	3.5
62.46406	0.4
71.29864	0.4
71.30167	0.5
108.02084	8.1
117.20924	0.5
120.02055	0.7
131.51550	0.5
132.02090	0.6
145.02887	6.2
146.03683	3.2
178.07825	3.1
180.05780	0.8
204.05714	0.7
205.06619	1.5
206.07353	19.4
207.07811	2.2
209.06125	1.0
217.06587	1.2
219.08130	1.2
221.06128	0.6
222.06866	8.4
223.07181	0.9
224.04689	0.9
232.05266	0.9
233.06097	47.5
234.06764	15.4
235.07616	4.8
237.05597	10.3
238.06314	5.5
247.07773	2.4
248.04727	1.4
249.05585	7.0
249.09212	2.9
250.06242	2.3
251.03520	0.5
251.07112	1.9
252.07771	0.8
260.04855	0.5
261.05612	29.5
262.05945	3.8
263.07166	0.6
265.05054	1.5
265.08777	0.6
266.05856	5.9
275.07053	0.6
293.08258	100.0
294.08609	9.7
305.04617	63.2
306.04965	6.5
311.46286	0.5
323.05988	0.6
337.07257	15.0
338.07675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0726
Annotation	Ustalic acid
Peak:m/z	Relative Intensity
59.01266	12.4
67.25744	0.7
69.03339	0.9
69.29987	7.2
71.01264	1.1
72.99181	0.6
85.02866	0.9
93.03355	14.7
95.79772	0.7
96.53323	0.7
96.95945	1.1
98.20557	1.5
121.02885	9.3
149.04477	0.8
163.04065	1.0
171.04485	1.1
173.04625	3.3
173.05891	0.7
176.10349	0.6
191.05571	1.0
219.08151	100.0
220.08476	8.2
230.07352	4.0
231.08195	10.9
232.08537	1.3
235.07780	0.9
247.07678	13.4
248.08078	1.4
249.09239	49.2
250.09592	4.9
263.07184	2.0
275.07205	51.7
276.07529	5.4
293.08170	2.8
319.06049	2.9
337.07428	3.4
337.16568	1.2
340.29584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51942	0.4
59.01263	9.3
68.94254	0.4
71.01254	0.7
71.04904	1.6
71.56413	0.6
74.19940	0.4
81.03364	0.5
97.06501	1.4
101.87215	0.5
123.04413	0.4
125.09657	2.6
135.08051	1.3
137.06018	1.0
151.07597	0.5
177.86267	0.5
185.11732	0.6
189.07068	1.1
199.13283	0.6
213.07030	1.0
217.06581	4.3
219.08211	0.7
228.05850	0.9
229.06583	2.9
235.11810	0.5
245.06102	6.9
246.06583	0.7
255.04535	0.7
256.05307	1.5
257.06140	13.4
258.06436	1.2
263.07239	3.0
265.14572	0.6
273.05640	8.2
274.05991	0.9
284.04813	1.3
290.01477	0.8
291.02170	0.7
301.05133	23.4
302.05634	2.5
305.17587	1.6
309.03503	0.7
319.01733	46.8
320.02234	8.0
337.02817	100.0
337.20392	1.3
338.03156	11.2
338.10532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95570	1.3
57.89541	1.2
59.01262	7.3
63.92722	1.4
67.32185	1.1
70.51280	1.2
71.01257	1.5
71.29598	2.5
72.99197	5.9
76.81969	1.2
77.36280	1.1
86.02377	1.6
88.00278	7.0
88.38425	1.1
92.04942	4.1
93.03350	2.8
95.01297	1.2
96.04462	1.5
96.95898	1.7
97.06503	4.3
99.00811	1.7
106.02894	3.4
108.02082	15.2
109.02871	17.8
119.04938	1.4
120.04461	3.9
121.02839	4.8
122.03678	6.9
123.00854	2.3
123.04453	2.0
124.01569	4.5
127.84353	1.5
128.59560	1.2
130.01372	7.0
134.03665	39.2
135.04167	1.4
136.01576	5.5
137.02380	75.6
138.02776	1.4
148.03984	100.0
149.02371	2.1
149.04779	42.9
150.03174	12.8
150.05490	3.9
151.03899	4.2
152.03484	32.1
161.02444	2.7
165.01883	2.5
166.05051	38.4
167.05852	12.0
173.04581	4.7
176.03494	21.9
177.04204	7.1
187.03954	2.6
187.07649	1.7
194.04572	31.5
194.06343	1.6
195.05347	7.8
201.05731	1.5
205.08630	1.9
219.10184	2.2
220.02443	2.0
221.03236	11.0
228.10313	8.0
231.10307	2.8
238.03561	2.7
239.04405	2.7
246.11446	13.8
247.11842	1.1
264.12329	3.1
274.11252	1.5
318.09772	3.2
336.10797	3.6
336.14621	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	336.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.0
66.65893	0.8
68.75188	0.6
69.52955	5.4
71.27990	0.8
87.78392	0.7
88.00290	8.1
88.19323	0.6
91.01781	1.8
93.03371	2.5
97.06483	3.8
98.19803	1.4
108.02078	26.8
109.02879	14.9
121.02863	7.8
122.03671	5.8
123.00829	1.4
123.04420	2.1
124.01585	5.4
125.02322	0.8
130.01381	0.9
134.03688	4.7
135.04504	1.0
136.01591	5.2
137.02376	100.0
138.02718	3.4
148.03984	7.5
149.02415	3.8
149.03709	0.9
149.04744	5.8
150.03174	20.0
150.05574	2.2
151.03957	5.4
152.03473	48.6
153.01889	2.2
153.03807	1.1
154.02675	0.7
164.03465	1.4
165.01875	3.6
166.05049	38.0
167.05832	25.3
167.58107	0.6
168.06248	1.6
173.04568	1.4
175.43343	0.7
176.03481	8.1
177.04247	5.1
194.04567	43.4
195.05287	8.6
205.08694	3.2
231.10309	1.6
238.03645	2.6
239.04335	3.0
255.13719	0.6
264.12415	2.2
274.10916	1.7
336.11035	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	333.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91139	0.5
57.03317	0.7
57.30806	0.6
59.01266	2.5
70.67814	0.5
82.64573	0.6
93.03352	4.3
101.41007	0.5
104.70556	0.6
108.36895	0.6
167.30617	0.6
180.97374	0.5
199.03987	1.1
206.07451	0.8
217.06639	3.2
218.07361	0.8
219.08177	0.9
221.06046	4.6
228.05827	0.6
229.06589	1.6
230.07396	2.6
233.06152	0.9
245.06146	3.9
247.07657	4.6
257.06085	5.6
258.06873	10.6
259.07407	1.7
261.05557	3.5
273.05630	76.1
274.06348	37.0
275.06824	3.6
285.05597	1.2
289.08789	1.2
291.06689	2.4
301.05038	7.9
302.05713	0.7
305.08276	1.5
316.07318	0.7
333.07745	100.0
334.08099	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	333.0776
Annotation	Halenaquinol
Peak:m/z	Relative Intensity
54.92972	0.4
55.15822	0.4
59.01232	0.5
60.34274	0.4
70.86707	0.9
87.27299	0.4
88.39265	0.5
93.03351	3.9
138.61250	0.4
151.38234	0.4
165.11485	0.4
194.07286	0.6
199.04013	0.9
201.07100	1.0
206.07339	0.8
217.06561	3.9
218.07300	1.6
219.08081	1.3
221.06056	4.3
222.06509	0.4
228.05795	0.7
229.06602	1.5
230.07401	4.1
231.08174	0.9
232.05292	0.6
233.06062	2.0
245.06067	4.8
246.06790	1.9
247.03758	0.5
247.07684	8.8
248.07930	1.0
257.06125	10.1
258.06885	16.3
259.07446	2.6
261.05609	3.5
272.04846	0.7
273.05618	67.9
274.06345	40.4
275.06818	3.3
285.05573	0.5
289.08810	2.5
291.06757	2.8
300.04343	1.0
301.05124	16.3
302.05475	1.3
305.08121	0.7
316.07495	0.7
333.07739	100.0
334.08075	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	333.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01585	0.9
67.91936	0.6
71.01308	1.2
71.45133	1.4
78.95776	0.9
91.09081	0.7
93.03377	1.6
103.11995	0.6
124.71918	0.6
137.09778	0.8
173.04485	0.9
213.11465	0.9
255.12451	2.6
333.20898	1.6
334.07730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0569
Annotation	Tetracenomycin D1
Peak:m/z	Relative Intensity
56.65813	0.3
59.01255	1.1
69.61272	0.5
69.61674	2.3
91.62418	0.3
95.51198	0.4
111.00802	0.4
121.04713	0.4
135.04314	0.4
165.07051	1.3
165.69200	0.4
177.07062	0.7
179.04976	0.4
179.08534	0.4
185.68161	0.3
187.05460	0.5
189.07072	2.3
191.08638	0.8
193.06615	1.0
203.05003	1.9
204.05786	1.7
205.06497	0.5
207.04501	8.1
209.06041	0.4
217.06430	0.4
219.04636	0.4
219.08243	2.0
221.06119	0.6
223.03976	0.6
231.04555	13.8
232.05066	1.8
233.06082	0.5
239.07092	2.5
247.04088	0.9
247.07695	0.9
248.04781	5.6
249.05353	0.5
251.03445	0.4
255.06665	1.5
259.04080	0.7
261.05643	2.3
262.06235	0.5
263.07169	5.6
264.04401	0.9
264.07159	0.4
275.03555	2.3
276.04315	6.2
277.05081	2.2
278.05582	0.4
291.06696	2.9
292.07199	0.5
303.02985	0.5
305.04501	0.5
307.06235	1.5
321.04105	0.8
335.05685	100.0
335.22360	1.2
336.06027	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	335.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32010	0.9
59.01243	4.6
60.99181	2.6
71.01247	1.3
71.57810	1.5
78.71262	0.9
90.90431	0.9
91.14800	0.9
170.61681	1.0
206.07417	1.7
207.79512	1.3
217.06525	2.8
217.18858	1.1
218.07266	1.6
219.08151	100.0
220.08522	8.1
221.06000	1.7
222.06839	1.5
231.08096	7.0
232.08922	9.0
233.06020	3.2
233.09668	4.7
234.06851	1.3
235.11343	1.3
245.06256	1.4
247.07651	21.6
247.11273	11.3
248.08362	7.3
248.11842	1.1
249.05659	1.0
249.08932	1.3
259.07626	6.2
263.10843	33.1
264.11136	4.0
275.07303	1.2
276.07935	2.4
277.08722	16.9
278.09070	2.3
279.10193	1.2
289.08569	1.5
291.10336	14.1
292.10776	2.4
299.16507	1.3
307.09836	13.1
308.10016	2.0
320.06082	10.5
335.01236	1.9
335.08417	7.7
335.18799	2.3
335.22470	3.7
336.08740	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	335.0933
Annotation	Kanzonol W
Peak:m/z	Relative Intensity
59.01263	4.7
60.99189	2.5
70.00552	1.7
70.00928	2.5
77.94899	1.0
98.20474	2.0
205.06580	3.5
205.10286	1.1
206.07288	1.2
217.06616	7.0
218.07208	2.0
219.08153	100.0
220.08591	9.6
221.06067	3.9
231.08154	8.2
232.05415	1.9
232.08923	9.5
233.06088	24.8
233.09451	4.8
234.06548	2.2
235.04100	2.4
235.07608	1.5
235.11327	1.3
237.05457	2.1
245.06010	6.8
247.03883	1.5
247.07663	17.6
247.11273	12.4
248.08371	8.3
248.11455	1.5
249.09142	1.5
251.07140	3.3
261.05603	27.8
262.05991	2.8
263.10825	36.6
264.07986	3.7
264.11130	4.4
275.07227	2.9
276.08008	1.7
277.05096	7.0
277.08752	17.3
278.05844	7.7
278.08868	1.9
279.06442	2.1
279.10300	2.1
281.11884	1.5
288.04361	1.1
289.05154	7.8
291.07166	1.3
291.10318	18.8
292.07523	2.3
303.06763	1.3
305.04611	26.9
306.05075	1.9
307.09790	16.0
308.10272	1.7
319.05994	2.0
320.06964	51.1
321.07379	5.8
335.09311	98.5
335.22308	2.4
336.09659	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	335.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29062	1.8
59.01266	6.6
60.99191	5.2
61.22184	2.0
67.35809	1.9
69.60035	1.7
71.01292	1.8
77.91740	1.9
98.19799	5.6
123.91592	1.9
145.02876	16.3
203.08678	6.3
206.07344	7.6
217.06619	6.9
218.07373	10.9
219.08139	92.8
220.08533	7.5
221.06078	31.1
231.08174	26.5
232.08937	21.6
233.09692	6.0
234.06873	17.7
235.07516	4.9
247.07692	100.0
247.11340	17.5
248.08179	11.7
249.05557	2.3
249.09247	27.2
250.09595	2.6
259.07797	3.7
263.10855	11.2
265.04898	2.5
274.06335	3.4
275.07217	32.4
276.07944	61.1
277.08676	19.9
278.09189	2.5
291.10349	27.6
292.10532	2.9
298.62326	2.0
307.09857	6.0
308.10147	2.3
335.01089	2.7
335.18488	2.4
335.22260	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	335.0931
Annotation	Spiroleucantholide
Peak:m/z	Relative Intensity
59.01257	6.9
59.24659	1.7
60.99198	5.9
68.94248	1.8
71.57938	2.6
93.03351	3.8
96.95920	1.9
130.04144	2.6
135.21877	1.7
139.71783	1.9
141.66699	2.0
145.02863	19.1
173.51619	2.1
203.08638	5.6
204.08952	1.9
206.07318	5.0
217.06581	9.3
218.07382	10.5
219.08144	100.0
220.08551	9.6
221.06094	26.0
231.08194	25.2
232.08911	20.2
233.09607	5.8
234.06914	21.7
235.07538	6.3
247.07666	96.1
247.11266	18.8
248.08174	9.7
249.05563	3.8
249.09210	27.4
250.09563	2.7
257.90781	1.7
263.10889	8.8
263.53198	2.0
274.06265	3.4
275.07227	30.4
276.04706	2.9
276.07938	61.8
277.08688	18.8
278.09137	2.0
291.06696	6.4
291.10242	33.5
292.10803	4.3
299.16528	3.6
305.08331	2.2
307.09805	10.1
318.61295	2.2
320.03180	3.0
335.01450	4.0
335.05609	5.9
335.09177	4.3
335.22382	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	335.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	7.9
69.03335	2.8
71.01270	2.8
73.02820	2.2
89.02333	1.9
91.74155	1.1
96.95906	3.7
97.08468	1.2
99.00780	1.5
101.02336	2.6
107.30698	1.2
108.02089	1.2
113.02382	1.3
130.45589	1.1
137.02380	3.1
173.09589	2.5
191.10744	3.3
194.04547	1.5
219.08148	100.0
220.08499	9.9
241.07259	1.2
245.06007	2.3
246.06880	8.4
247.07610	14.4
248.08025	1.9
263.07187	49.9
264.07437	3.3
290.05875	3.6
291.06689	82.1
292.06958	7.3
335.05731	1.8
335.14948	4.2
335.22202	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0569
Annotation	Haemodorol
Peak:m/z	Relative Intensity
51.05279	0.9
59.01268	6.6
69.03332	1.0
70.31359	4.4
71.01268	1.2
71.74582	1.0
73.49224	0.9
93.03364	10.2
105.41397	1.1
155.28017	0.9
169.02863	1.6
171.10205	1.0
180.67424	1.0
187.03978	4.1
197.02490	1.4
198.03224	14.6
215.03506	31.1
216.03874	3.3
219.08168	11.8
220.08508	1.2
247.07581	1.3
291.06693	100.0
292.07031	8.0
313.59180	1.2
320.09326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05317	1.2
59.01266	100.0
71.01276	5.3
71.57458	1.9
73.02871	1.9
85.02844	2.6
89.02343	1.9
96.95977	1.4
99.00795	2.3
101.02345	3.9
113.02359	2.1
129.39288	1.1
161.04498	4.5
167.03465	3.3
194.25633	1.2
269.10376	3.9
329.14026	1.9
342.49789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2341
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
56.99083	0.2
57.03333	0.9
59.01259	0.5
63.59529	0.2
69.03343	0.8
71.04910	0.5
71.06798	0.5
79.88493	0.2
83.04922	0.8
84.71834	0.2
85.02847	0.5
93.03355	0.5
97.06500	0.7
99.08064	5.9
125.09641	1.5
127.11226	2.8
129.09135	0.5
139.11221	2.1
155.10687	0.6
155.14394	1.2
162.82150	0.2
165.12790	0.9
167.10692	0.4
167.14369	1.8
171.10228	6.9
172.10544	0.4
173.04512	0.6
181.12331	0.3
183.13884	7.4
184.14182	0.4
185.11751	0.3
187.03960	0.2
193.12299	2.4
199.13345	0.6
201.14973	0.2
209.11848	1.7
211.13393	39.3
212.11536	0.4
212.13712	2.5
229.14464	20.0
230.14767	1.3
275.59955	0.2
293.21231	0.9
295.47089	0.2
311.22382	0.7
329.23398	100.0
330.14462	0.2
330.23749	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	329.2703
Annotation	CHEBI:79291
Peak:m/z	Relative Intensity
59.01264	7.7
61.52037	0.5
62.36908	0.5
68.81444	0.4
69.60244	0.8
69.60644	3.2
71.01252	0.7
74.02357	0.7
78.95796	5.2
96.95885	0.6
96.96901	0.6
97.02850	0.5
100.47968	0.5
105.24014	0.5
122.50971	0.6
145.02872	1.0
152.99513	10.3
211.13348	0.8
229.14317	0.6
230.09248	0.5
239.23849	2.3
253.25397	1.0
277.21805	5.3
278.22028	1.3
281.24915	2.2
283.22852	6.3
297.24484	0.8
309.24448	2.0
311.26041	1.2
329.03207	0.7
329.14008	3.4
329.17688	20.7
329.27023	100.0
330.14447	0.7
330.18063	2.7
330.23563	0.8
330.27411	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	331.0809
Annotation	Drimiopsin B
Peak:m/z	Relative Intensity
57.04393	7.5
57.06960	7.7
58.08511	8.4
59.01248	31.3
71.01296	23.2
71.56396	10.9
72.97419	11.8
85.02843	18.1
87.90331	8.1
89.02337	42.4
99.00789	17.2
101.02338	13.3
119.03408	19.7
125.02370	34.7
151.00290	23.1
159.02917	25.1
168.00595	9.7
169.01404	18.5
179.05573	37.1
183.67322	8.8
219.78601	10.1
221.06723	17.6
331.08206	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	331.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99496	0.8
59.01270	2.7
66.36124	0.5
67.89879	0.5
71.01267	1.7
71.59799	1.0
73.02839	0.8
84.89576	0.6
85.02833	1.3
87.00766	16.3
89.02347	0.7
93.03343	1.0
96.95870	2.8
97.02845	0.6
97.06487	1.0
101.02344	1.5
102.98483	5.2
119.03427	0.5
120.99569	44.7
121.99905	0.8
125.02299	0.7
147.11708	5.9
152.61249	0.6
163.11116	0.5
165.12781	1.4
182.74484	0.6
209.11812	22.3
210.12221	1.3
223.28096	0.6
225.09596	0.8
243.10609	25.2
244.10922	1.2
331.12253	100.0
332.12601	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2186
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03336	1.5
58.00487	0.4
59.01266	1.7
61.98709	0.5
69.03342	1.1
71.01273	1.1
71.04909	0.5
72.99206	0.4
73.02831	0.3
75.00756	1.7
83.04912	1.0
84.02097	0.4
85.02841	4.6
86.29465	0.3
93.03327	0.5
95.01286	0.4
95.04942	1.0
96.95879	0.3
97.02854	0.4
97.06486	5.1
105.74123	0.3
109.02815	0.4
110.03619	0.6
113.02349	0.5
122.66661	0.3
123.08073	0.5
125.09650	1.2
127.11206	1.8
129.63219	0.3
137.09616	0.8
155.10718	1.0
155.14362	0.8
165.12785	1.1
167.10725	0.5
167.14384	1.2
169.62996	0.3
171.10228	8.4
177.12807	1.0
181.12274	0.7
183.13864	4.8
184.14140	0.4
184.99292	0.4
185.11703	1.6
193.12303	1.8
197.11835	0.7
199.13376	0.5
200.64661	0.4
201.11307	0.6
203.10707	0.4
209.11842	1.9
211.13387	24.9
212.13744	1.5
221.11813	3.4
221.15500	0.3
222.12061	0.5
227.12895	0.5
229.14471	14.9
230.14844	1.1
239.12910	2.1
273.18527	0.4
282.33524	0.3
291.19711	3.3
309.20712	0.9
327.01620	2.0
327.14667	2.9
327.21832	100.0
328.22153	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0774
Annotation	Plicadin
Peak:m/z	Relative Intensity
59.01193	1.4
60.62188	0.4
90.85169	0.4
96.09305	0.4
151.53795	0.4
160.03877	0.5
182.51556	0.5
182.57991	0.4
185.76738	0.4
204.07710	0.4
231.08176	0.4
241.02901	0.4
241.05399	0.5
261.05646	0.4
289.05176	2.3
289.08057	0.5
290.05862	1.3
317.04581	4.9
318.05377	100.0
319.05734	9.6
333.07745	56.6
333.20471	0.8
334.08032	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	333.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.7
55.86498	0.8
56.59264	0.7
59.01262	2.9
67.01776	0.7
69.03342	100.0
70.03677	2.3
71.01264	3.4
71.57505	0.8
71.57924	1.4
72.99203	2.6
78.95791	0.8
79.01791	1.7
85.02844	1.7
89.02332	0.8
95.01281	2.9
96.95925	2.5
97.02850	20.4
99.00776	27.4
100.01118	1.0
101.02315	1.4
113.02332	0.8
123.00821	1.5
135.04460	0.8
139.52992	0.6
141.01857	6.1
147.04439	3.7
164.07141	1.5
168.06538	1.1
185.00885	42.2
186.01172	1.2
188.90392	0.7
257.90329	0.7
288.93155	0.7
333.06174	6.3
333.14124	3.7
333.20261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	3.9
59.01263	3.0
68.99706	0.7
69.03342	100.0
70.03671	2.0
71.01283	2.7
71.07037	1.8
71.18328	0.6
71.51946	0.6
72.99200	1.8
78.95798	0.9
79.01794	2.6
85.02845	2.5
95.01296	2.5
96.95923	2.2
97.02853	20.4
99.00780	26.4
100.01106	1.1
101.02322	1.0
123.00796	1.1
135.80341	0.6
141.01877	6.1
147.04468	2.9
153.65076	0.6
185.00885	49.8
186.01279	2.1
198.38547	0.6
258.12256	0.7
326.24164	0.6
333.06335	3.6
333.13879	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03318	2.5
59.01267	17.4
69.97171	5.5
71.01270	2.2
71.04909	2.1
71.34408	1.3
73.02827	1.7
78.62516	1.2
80.02551	5.2
83.04911	2.1
84.02058	3.8
85.02870	1.7
97.06497	7.5
98.19833	1.4
113.02300	1.1
113.09590	1.3
123.08086	4.2
125.08746	2.7
125.09642	45.6
126.09990	2.4
127.11176	1.5
137.09637	26.5
153.09103	1.4
153.12793	3.0
155.10744	7.9
163.11134	1.6
165.12920	1.2
169.08609	2.0
171.10194	5.0
187.09702	2.6
193.07188	1.4
209.11812	15.4
227.12874	3.5
238.52512	1.3
265.13040	2.0
279.19702	2.2
281.21286	1.6
289.18146	5.7
290.78052	1.2
307.19235	100.0
308.19510	8.2
325.20190	18.7
325.23929	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	329.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01591	1.9
69.03349	2.2
71.01277	5.4
71.57900	1.9
74.48872	1.4
85.02829	3.0
96.95934	2.3
99.00774	2.4
100.18340	1.5
101.02349	4.2
104.48953	1.6
113.02357	3.5
161.04539	4.2
236.55417	1.7
239.47134	1.6
269.10388	5.9
313.77878	1.6
329.13931	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	1.2
61.98709	0.8
69.03348	1.1
71.01267	4.4
71.55770	0.6
71.56197	0.7
73.02852	1.4
85.02847	2.5
89.02338	1.1
93.03380	1.1
96.95913	1.1
97.02879	1.2
99.00798	1.1
101.02354	4.0
113.02370	1.8
140.71948	0.6
146.12656	0.6
149.02373	0.6
159.02977	0.7
161.04546	2.8
213.02156	0.7
269.10394	4.1
294.91013	0.6
329.14059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0887
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03335	1.6
58.00471	2.2
59.01265	61.2
63.15490	1.4
67.01753	1.5
71.01272	34.4
71.05008	2.7
71.05340	1.5
72.99194	3.4
83.01289	2.0
85.02837	8.9
86.40983	1.4
87.00782	1.5
87.45773	1.4
89.02338	29.8
91.01785	1.6
95.01276	5.0
101.02335	21.3
108.02056	3.8
109.02865	2.4
113.02356	16.6
113.03098	2.5
119.03424	12.0
123.00777	3.5
123.04439	11.3
125.02323	2.8
129.57036	1.4
131.03444	1.9
143.03484	1.5
145.92137	1.5
151.00302	4.0
151.03807	2.0
152.01155	9.6
161.04547	1.2
166.02609	7.3
167.03452	76.0
168.03726	2.7
181.05026	8.4
194.02179	4.2
209.04564	44.5
209.06598	2.2
210.05040	1.3
224.22694	1.3
230.52527	1.5
239.05548	3.4
269.06702	10.4
329.08847	100.0
330.09161	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	327.2912
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
52.14766	3.8
63.97481	4.2
69.77882	26.6
72.97398	3.7
74.47626	4.2
102.31372	4.0
108.75633	3.7
140.71732	4.1
185.00710	7.1
243.80339	4.3
279.27002	7.8
281.28647	46.4
282.28723	4.5
288.62930	4.0
327.18478	6.4
327.25119	5.5
327.29092	100.0
328.29507	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	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36810	0.6
57.03341	4.6
58.00486	1.5
59.01265	7.2
70.34642	1.8
70.35301	0.5
71.01260	1.5
71.04903	1.2
73.02840	7.7
75.71885	0.6
80.02567	0.8
83.04903	1.1
95.04926	1.9
97.06491	13.0
101.02370	0.6
111.08055	1.4
123.04413	1.0
123.08077	8.7
125.09644	100.0
126.09965	3.9
127.11227	6.5
137.09631	1.3
139.11212	1.3
141.09148	88.9
142.09451	3.2
151.11266	1.4
153.09128	1.1
153.12808	1.0
155.10692	3.3
160.64287	0.5
165.09206	2.7
167.10675	0.7
169.08658	3.4
171.10248	6.9
176.30122	0.6
181.12238	0.7
183.01166	0.9
183.10233	1.9
185.11853	1.3
187.09723	12.9
188.10150	0.6
197.11835	1.7
199.09758	2.3
199.13405	2.3
201.11302	77.4
202.11626	3.7
209.11841	1.9
213.11334	2.0
214.34172	0.6
215.12804	1.4
225.83530	0.6
227.12923	5.3
229.14474	3.5
233.27383	0.6
245.19289	0.6
263.20126	5.8
267.19742	2.3
289.18237	2.3
297.20743	12.0
298.21024	1.0
302.17670	0.6
307.15692	1.3
307.19214	24.1
308.19611	2.4
325.14594	1.2
325.20270	25.1
326.20605	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2183
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03327	1.0
60.33645	0.3
70.87361	0.4
70.87671	0.4
71.01253	0.6
83.04926	0.4
85.02851	2.6
95.04913	0.5
97.06491	3.0
100.20538	0.3
110.03628	0.5
125.09675	0.7
127.11219	1.1
128.38147	0.3
137.09624	0.5
155.10742	0.5
155.14398	0.5
155.92456	0.3
163.11176	0.3
167.14346	0.7
171.10207	4.8
177.12808	0.5
183.13870	3.1
185.11778	0.9
193.12303	1.0
197.11821	0.4
203.10719	0.4
209.11815	0.8
211.13383	15.3
212.13676	0.6
221.11832	2.4
229.14456	9.3
230.14613	0.5
239.12891	1.7
291.19724	2.0
298.57809	0.3
309.20850	0.9
327.21829	100.0
328.22165	8.0
328.26093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2183
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.79222	0.5
57.03339	7.6
58.00475	1.3
59.01237	0.9
71.01270	0.6
71.05495	1.2
73.02830	0.5
80.44691	0.5
83.04934	0.7
85.02845	0.5
87.04386	0.8
97.06563	1.1
113.09631	16.3
123.08093	0.8
125.06071	0.7
125.09630	8.6
126.09962	0.7
127.11213	9.5
137.09650	2.3
139.11191	1.4
141.09151	1.5
151.11197	2.5
153.09145	1.4
155.10725	3.9
157.12216	0.9
165.09166	3.9
167.10606	0.7
169.12317	0.7
171.10222	7.1
177.09210	0.8
183.10193	1.3
185.11818	0.6
195.10245	3.1
199.09717	2.1
201.11299	64.3
202.11624	2.6
202.63358	0.6
213.11305	38.4
214.11649	1.7
229.14590	0.6
247.20830	0.9
277.41968	0.6
291.19763	5.3
309.20752	13.2
310.20987	0.9
327.21826	100.0
328.22159	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	327.1094
Annotation	Androsin
Peak:m/z	Relative Intensity
58.00492	0.9
59.01268	24.3
68.15182	0.8
70.34114	3.6
71.01270	17.4
72.99186	3.4
83.01272	1.7
85.02841	3.5
87.00733	1.2
87.22585	0.8
89.02334	14.4
95.01270	1.0
96.95912	0.8
98.20488	0.8
99.00756	0.8
101.02337	10.0
113.02359	6.8
119.03434	8.3
119.04914	3.6
125.29298	0.8
147.04453	100.0
148.04782	4.2
158.00156	0.8
165.05530	14.9
166.05888	0.8
179.05537	1.1
195.02789	0.9
327.10904	76.1
327.21695	1.8
328.11273	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	326.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.8
70.01211	3.2
107.03559	2.1
134.04649	100.0
135.05009	1.5
179.21329	0.8
183.96477	0.7
266.09003	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	325.218
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01270	9.3
71.39598	2.0
85.02668	1.2
93.46196	1.1
117.01260	1.3
134.04716	1.1
136.04831	1.0
148.13611	0.9
149.09659	88.7
149.48645	1.1
150.10004	4.6
163.11230	97.1
164.11531	6.5
183.01176	15.7
281.24939	2.4
325.18393	35.2
325.21786	100.0
325.27655	4.2
326.18771	3.8
326.22101	13.8
331.28799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
57.03321	1.9
58.00468	0.9
59.01249	1.5
69.26272	1.6
69.26682	8.1
71.01267	5.4
71.04913	2.5
72.02034	1.3
80.02547	1.7
83.04912	5.2
84.02045	2.4
85.02837	1.1
95.04919	1.5
97.06489	3.8
99.04411	1.6
99.08073	4.9
105.79391	1.0
109.06495	1.6
111.08019	1.5
112.05200	2.0
115.07548	2.7
123.08089	1.6
125.05961	1.2
125.09624	6.1
127.07565	18.2
128.60599	1.1
135.08075	2.6
137.09657	2.0
139.07568	3.8
141.09120	1.3
147.11604	0.9
153.09142	15.9
155.10703	4.0
163.11208	3.1
165.12776	2.0
171.10234	14.9
178.09990	3.1
179.10657	0.9
181.12320	1.2
185.11774	18.9
186.12117	1.0
191.10741	1.9
191.14391	1.9
197.11816	17.4
198.12126	0.9
201.11317	1.0
209.11818	73.2
210.12140	5.3
236.10599	1.5
237.14970	1.1
238.12137	7.4
239.16512	1.3
245.19124	3.1
253.18103	1.0
256.13196	3.6
263.20227	1.6
279.19556	1.8
281.21457	0.9
289.18149	12.1
307.19220	100.0
308.19498	10.0
325.20267	48.4
325.24179	1.4
326.20465	5.3
332.55682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.16202	0.6
51.84175	0.6
56.10559	0.7
57.03212	2.8
57.03527	1.1
59.01141	7.7
59.01475	2.7
66.42160	0.6
68.62036	0.7
70.02739	0.6
70.97328	1.7
71.01134	2.1
71.01497	0.8
71.04782	1.8
73.02733	1.2
73.03080	0.7
80.02421	4.8
82.82819	0.6
83.04825	1.5
84.01913	5.7
85.02726	0.9
88.58880	0.5
89.90460	0.6
93.03291	0.7
94.19534	0.6
95.04835	0.7
97.06341	7.7
97.07027	1.5
99.07922	1.0
102.03161	0.6
111.07972	0.9
113.09502	1.3
123.08062	5.0
125.09480	65.4
125.10489	4.2
126.09835	2.1
127.11047	3.4
134.04492	0.9
135.07907	1.9
136.03813	0.6
137.09648	34.4
137.10614	1.8
138.09883	1.1
141.09007	1.2
149.09517	1.3
150.01924	0.6
153.09149	6.3
155.10718	10.5
161.04362	1.4
163.11096	1.1
164.08302	1.3
165.12741	0.8
169.08444	1.9
171.10265	5.6
181.12193	0.9
183.01103	1.2
187.09785	3.4
187.11078	1.1
201.11156	2.3
209.11774	6.3
213.11263	1.3
227.12906	4.3
245.18950	0.9
250.12144	0.9
253.18085	1.5
263.20102	1.7
279.19751	3.1
281.21231	2.0
289.18204	7.5
297.20728	0.9
307.19220	100.0
308.19571	7.8
316.62473	0.7
325.14728	1.3
325.20294	20.9
326.20602	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36810	0.6
57.03341	4.6
58.00486	1.5
59.01265	7.2
70.34642	1.8
70.35301	0.5
71.01260	1.5
71.04903	1.2
73.02840	7.7
75.71885	0.6
80.02567	0.8
83.04903	1.1
95.04926	1.9
97.06491	13.0
101.02370	0.6
111.08055	1.4
123.04413	1.0
123.08077	8.7
125.09644	100.0
126.09965	3.9
127.11227	6.5
137.09631	1.3
139.11212	1.3
141.09148	88.9
142.09451	3.2
151.11266	1.4
153.09128	1.1
153.12808	1.0
155.10692	3.3
160.64287	0.5
165.09206	2.7
167.10675	0.7
169.08658	3.4
171.10248	6.9
176.30122	0.6
181.12238	0.7
183.01166	0.9
183.10233	1.9
185.11853	1.3
187.09723	12.9
188.10150	0.6
197.11835	1.7
199.09758	2.3
199.13405	2.3
201.11302	77.4
202.11626	3.7
209.11841	1.9
213.11334	2.0
214.34172	0.6
215.12804	1.4
225.83530	0.6
227.12923	5.3
229.14474	3.5
233.27383	0.6
245.19289	0.6
263.20126	5.8
267.19742	2.3
289.18237	2.3
297.20743	12.0
298.21024	1.0
302.17670	0.6
307.15692	1.3
307.19214	24.1
308.19611	2.4
325.14594	1.2
325.20270	25.1
326.20605	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99473	2.4
59.01271	32.7
70.63192	6.9
71.01240	2.3
107.08636	3.5
108.90831	2.5
137.09698	3.9
167.10745	7.2
171.10162	3.0
176.72346	2.6
183.01213	23.6
188.51460	3.1
189.83691	3.2
197.02776	28.0
245.19156	3.1
265.13055	3.6
289.18192	23.4
290.18384	3.6
293.21341	18.3
307.19308	4.5
325.18457	100.0
325.23859	35.2
326.18777	9.8
326.24161	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	325.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	8.2
57.03563	1.3
58.00476	3.0
59.01252	2.5
69.03338	1.7
71.01234	1.5
71.04897	1.9
72.09888	1.2
73.02855	1.4
80.02578	2.7
83.04881	3.4
87.04404	2.1
91.62562	1.4
91.63282	1.5
92.40349	1.3
97.06492	3.9
98.03655	2.3
109.06481	2.4
110.03616	2.1
111.08074	32.1
112.08421	1.8
123.08081	4.3
125.06022	2.4
125.09651	35.0
126.09974	2.3
127.11209	16.5
135.08049	2.9
137.09662	12.7
139.11232	1.8
141.09146	4.5
151.11241	6.4
153.09163	5.8
155.10721	5.3
164.08400	2.7
165.09140	5.9
167.10725	1.8
171.10196	18.3
183.10266	3.0
185.11815	1.5
195.10240	6.8
197.11786	3.0
199.09737	6.4
201.11307	100.0
202.11652	5.1
211.13359	2.7
213.11322	65.0
214.11633	4.3
237.14975	2.3
245.19102	2.9
254.25500	1.4
282.25580	1.4
289.18143	21.4
290.18375	1.4
294.19333	1.5
307.19247	44.7
308.19696	3.4
325.20273	99.9
326.17044	1.4
326.20535	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	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.6
58.00472	4.5
59.01264	23.4
69.03337	3.0
69.54781	7.4
71.01262	12.8
71.04905	1.2
72.76241	0.9
72.99191	1.3
73.02847	2.5
80.02570	1.2
81.03375	1.6
83.04904	3.1
84.02048	2.4
85.02860	1.7
93.03357	1.4
93.07005	1.2
97.06496	3.5
101.02348	1.1
105.07008	1.6
106.04134	1.5
109.06521	4.6
111.08072	38.0
115.07574	1.3
119.04961	1.3
121.06496	1.3
123.08076	14.9
125.09646	17.2
127.07565	3.2
127.11220	7.2
134.04665	1.3
135.08109	7.9
137.09666	3.6
139.07591	1.4
139.11201	2.7
141.09126	3.4
145.06502	2.3
149.09637	1.4
151.11192	2.9
153.09143	8.6
153.12823	1.1
153.52513	1.0
154.66414	1.0
155.10713	10.2
157.12239	1.6
159.04425	2.3
160.05247	10.6
163.11212	3.0
165.09164	1.7
165.12857	1.1
167.10722	7.9
169.12268	4.1
171.10220	58.4
172.10580	1.6
175.06488	1.0
175.07632	12.1
181.12337	1.6
183.01184	1.8
183.10178	5.9
185.11801	39.4
185.13466	2.0
186.12175	1.4
187.09737	2.8
191.14378	2.9
195.10260	4.9
197.11821	26.4
198.12270	1.1
199.09732	3.2
199.13373	3.3
201.11305	61.4
202.11665	3.2
207.10222	2.5
209.11838	12.9
213.11307	19.8
215.12857	2.6
225.11339	1.7
227.12881	16.5
229.14360	1.4
238.12271	1.5
245.19142	6.8
276.39822	0.9
287.07220	3.3
289.18161	13.6
297.20746	1.3
307.19186	21.3
308.19553	2.0
325.14560	3.4
325.20258	100.0
326.20633	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	323.2233
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03337	3.4
58.20623	1.4
59.01263	46.3
61.98709	4.0
62.12050	1.2
69.03338	3.1
69.70090	4.7
69.70520	4.7
71.01261	4.8
71.04906	22.7
71.18668	1.4
73.02837	2.0
83.04913	1.9
85.06441	1.9
89.02342	2.5
93.07025	1.8
95.04929	3.6
96.95930	2.2
97.06487	6.0
98.19802	2.6
101.02341	2.5
101.05990	2.6
109.06490	1.9
111.08070	2.7
113.02339	1.6
119.04988	1.5
119.08585	20.8
121.02868	1.7
121.10139	8.7
123.08114	2.1
125.09644	11.2
127.11261	1.9
134.02327	1.9
135.08054	4.0
136.04022	2.2
136.08858	1.7
137.09650	65.4
138.06779	2.1
138.09985	1.6
147.08093	2.8
148.08842	2.3
149.09648	8.9
151.11237	3.3
153.09120	1.9
154.06276	2.8
161.04550	1.4
163.11169	2.1
171.10222	94.3
172.10530	3.2
185.11777	11.1
195.13892	7.5
197.11806	2.2
201.11266	1.8
209.11862	2.5
212.17381	1.4
217.15999	12.0
219.55637	1.5
229.19690	2.7
249.18631	2.6
255.17409	1.6
265.18173	1.5
273.18668	11.6
288.16132	9.0
291.19724	39.7
292.20065	3.5
305.17944	4.6
305.21268	100.0
306.21686	9.6
323.09958	2.3
323.19095	4.0
323.22327	98.8
324.22644	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
59.01263	17.4
68.64764	0.9
69.03323	1.3
70.64207	2.5
71.01268	2.5
81.05878	1.0
83.04947	1.0
84.11478	1.1
85.02820	1.2
96.95893	1.0
110.03637	2.4
113.02328	1.1
119.08582	17.2
121.10126	3.6
123.08080	1.8
125.09618	3.5
127.11176	2.3
135.08083	11.1
151.11209	3.4
161.04575	1.2
165.12791	4.1
171.10223	100.0
172.10545	5.5
175.14778	1.5
185.11800	6.6
195.13892	1.2
197.11729	2.0
229.19652	9.8
273.18661	43.0
274.18942	5.1
285.05804	1.8
291.19730	89.6
292.20038	10.7
305.21271	4.1
323.03036	8.7
323.18698	0.8
323.22311	18.5
324.22491	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	323.2234
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03324	2.6
59.01250	1.8
59.84266	0.7
70.61346	2.8
71.04901	7.1
83.67931	0.9
93.06988	1.7
97.06480	3.0
109.06631	0.9
111.08083	1.3
119.04925	1.2
119.08575	4.7
121.10143	15.3
123.08047	1.3
125.09639	12.4
135.08101	1.6
137.09650	17.3
138.09961	0.9
141.12794	1.4
147.08099	0.9
148.08908	1.5
149.09637	4.0
151.11224	1.7
163.11214	1.5
171.10214	20.2
184.58194	0.7
185.11794	19.8
186.12164	1.5
189.31062	0.9
197.11887	3.8
209.11746	2.8
211.13414	2.8
216.49782	0.8
217.15942	4.0
218.16254	0.9
223.13353	1.2
229.19591	0.8
235.17200	1.0
247.20715	1.1
273.18713	6.3
289.37918	0.8
291.19714	100.0
292.20078	11.2
305.21262	34.6
306.21564	4.3
323.22321	78.4
324.22650	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	323.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	10.5
59.01263	49.9
69.03383	3.1
71.01269	4.3
71.04913	16.3
80.02557	2.5
81.03339	12.6
83.01276	19.5
83.04913	12.8
85.02862	4.4
89.02354	3.8
93.03362	4.2
95.04925	37.6
96.95901	4.3
97.02863	6.2
97.06473	19.9
99.04437	12.4
99.04977	2.8
101.02368	3.4
101.06007	2.8
106.04136	3.8
107.04912	5.6
109.06500	9.0
111.08054	2.7
113.05984	6.5
115.47546	2.2
121.02798	3.6
121.06515	7.5
122.03673	2.7
123.04427	12.8
123.08058	8.8
125.06001	6.6
125.09648	39.6
128.39369	2.1
133.06496	4.4
135.08083	20.3
137.09604	5.5
139.07578	3.1
139.11238	4.9
141.09175	2.4
141.12769	2.9
149.09639	3.6
151.07576	11.7
153.09135	5.2
154.41164	3.0
159.81390	2.3
163.11218	7.5
165.09163	2.8
165.12778	4.5
171.10252	13.8
185.11795	24.4
191.10828	5.0
191.14426	2.4
197.11801	2.9
201.11298	31.3
203.14395	7.9
207.10219	3.4
209.11818	100.0
210.12083	5.4
211.13400	2.8
221.11884	4.7
223.13419	8.3
237.15027	7.7
243.17529	10.0
247.13405	7.4
249.15019	4.5
265.14508	36.8
287.16556	18.4
305.17612	41.7
306.18079	4.0
323.15787	2.5
323.18674	64.4
324.19205	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55603	1.6
55.01751	1.9
57.03334	16.7
59.01262	38.4
69.03342	2.4
69.40453	15.7
71.01275	7.2
71.04556	2.3
71.04903	15.9
71.84528	1.9
73.02863	2.4
73.80774	1.9
75.30079	1.8
77.54170	1.6
80.02569	3.8
81.03358	3.8
83.01282	13.5
83.04913	11.3
84.02041	1.7
85.02838	3.5
93.03365	4.3
95.04918	19.5
97.02862	3.6
97.06490	16.1
99.04424	2.4
101.05955	5.2
107.04947	5.0
109.02871	2.1
109.06484	9.8
111.04363	2.5
111.08057	4.5
113.06006	6.5
121.06477	4.9
122.03593	1.9
123.04443	5.4
123.08099	9.8
125.05997	4.6
125.09647	24.0
135.08083	15.1
149.09633	2.7
151.07594	2.3
151.11169	7.5
153.09099	3.2
163.11226	7.9
165.12787	7.6
167.10713	6.2
171.10223	3.8
176.03781	2.3
177.12892	4.1
179.10791	4.6
181.12354	9.6
185.11803	16.6
189.12828	7.7
191.10663	9.0
195.13869	2.2
201.11272	3.1
203.14441	6.8
207.10349	2.1
209.11816	100.0
210.12187	6.0
221.11871	4.5
237.14987	58.5
237.74017	2.0
238.15305	2.8
242.22760	2.2
243.17599	8.4
247.13344	8.0
249.15004	6.1
253.39439	2.0
261.18799	3.1
265.14581	17.3
277.18085	2.0
287.16611	23.6
288.16879	2.2
305.17651	42.6
306.18018	3.8
323.18692	36.6
324.19034	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	323.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.1
59.01263	30.4
65.03849	6.9
66.81721	0.8
69.03352	1.5
69.27860	3.7
69.28292	6.1
71.01265	2.8
71.04913	8.1
73.02827	2.8
73.46120	0.9
81.03348	3.8
83.04916	11.1
85.02854	2.2
87.32235	0.9
89.02325	2.5
93.06997	10.1
95.04904	3.5
96.95918	0.9
97.02843	1.5
97.06474	2.8
98.79552	0.9
101.02345	1.0
104.53571	0.9
107.04936	3.2
108.02062	2.7
109.06483	5.4
110.03625	2.3
111.08083	2.6
113.02328	1.0
121.02888	2.0
121.06504	20.0
122.03670	4.4
123.04441	1.8
123.08081	2.3
125.09639	8.1
135.08055	1.8
136.01524	1.1
139.07565	6.2
139.11230	10.1
149.09651	1.0
153.09126	3.9
155.10690	1.6
161.04509	1.4
162.06799	1.0
163.11246	1.2
165.12798	2.0
167.10706	2.3
171.10199	1.3
183.10216	3.5
185.11804	2.0
187.09782	5.0
188.10179	0.9
189.12798	1.0
197.11790	3.4
199.09743	1.1
205.12206	1.3
207.10246	2.5
207.13928	1.5
209.11790	16.7
213.11414	1.7
225.11432	2.3
227.12865	27.6
228.13217	1.9
231.13953	2.8
233.11847	48.9
234.12123	3.2
242.82693	1.0
243.17712	1.6
249.14990	11.9
251.12906	37.3
252.13226	3.1
261.18536	2.0
267.16150	2.0
279.19702	5.0
287.16605	17.8
288.16940	2.3
305.17642	100.0
306.18085	8.7
318.33075	1.0
322.99890	1.5
323.18762	10.1
323.22311	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1871
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.62228	1.3
57.03329	9.4
59.00961	2.2
59.01262	41.4
60.01606	1.1
60.01903	1.3
69.03337	2.1
69.48132	10.9
71.01260	3.8
71.04906	25.4
73.02837	2.3
81.03346	3.9
83.04913	3.5
85.02843	2.6
87.00764	1.5
89.02338	2.1
93.03337	2.5
95.04923	47.8
96.95881	1.7
97.02833	2.0
97.06506	9.5
99.08101	1.1
101.02348	1.7
101.05949	1.5
107.04916	4.5
109.05820	2.0
109.06504	27.1
111.04401	2.2
113.02380	1.6
115.07589	1.5
118.96307	1.1
119.05022	1.3
121.02819	1.4
121.06461	3.1
122.03657	1.5
123.08083	4.2
125.09638	15.5
127.11164	1.3
132.31386	1.1
133.06497	2.6
135.08110	12.8
137.09619	1.5
139.07574	1.3
139.11163	1.5
151.07579	9.6
151.11218	4.8
153.09117	2.0
153.43762	1.2
155.10713	1.3
161.04599	1.5
163.11232	2.5
168.84308	1.3
171.10220	100.0
172.10529	5.1
177.12801	2.1
179.14340	1.8
185.11780	4.6
187.09708	3.5
189.12793	8.5
193.12318	1.6
197.11771	1.3
201.11334	7.0
205.15956	1.4
207.10228	4.1
209.11839	8.5
210.12267	1.3
223.13422	17.7
225.11302	2.7
227.12833	2.2
233.11894	11.9
234.12148	1.9
243.17569	2.5
249.14998	24.5
261.18631	1.6
263.16580	6.2
265.14502	4.5
277.17929	1.5
279.19644	4.5
287.16571	7.8
287.19269	1.3
305.17642	28.3
306.18134	3.7
323.09641	1.4
323.18811	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	323.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.2
55.35614	0.6
57.03310	0.7
59.01269	7.9
59.82026	0.5
62.49739	0.6
63.09861	0.5
67.01773	0.6
69.03343	100.0
70.03671	1.9
70.74425	2.4
71.01270	2.5
72.99207	1.9
75.82646	0.5
75.91435	0.5
79.01794	0.9
82.11031	0.6
83.01225	0.7
85.02850	2.0
89.02322	0.7
92.29243	0.5
93.03355	6.1
95.01295	1.8
97.02849	21.1
99.00783	23.5
113.02342	1.0
123.00832	0.9
137.02380	6.7
141.01898	3.8
147.37689	0.6
159.02971	0.7
161.04457	1.2
169.54195	0.6
173.04526	0.9
185.00885	38.4
186.01221	1.5
196.84773	0.6
203.01955	4.2
229.87114	0.5
323.04221	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	323.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.67739	0.3
60.01597	1.0
61.98763	0.4
66.98053	0.3
70.87099	1.1
71.01261	2.3
73.02866	0.9
83.01275	0.6
85.02856	1.0
88.34138	0.3
89.02344	0.5
93.03410	0.4
96.95899	0.5
99.04381	0.4
101.02349	2.0
113.02373	1.1
120.99543	2.4
127.44143	0.3
134.03558	0.3
161.04526	1.6
263.15015	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	323.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	16.8
58.66438	1.2
59.01265	28.3
61.98729	1.3
65.03829	1.3
66.30308	1.2
69.03341	1.7
69.74259	9.0
71.01237	1.9
71.04898	2.1
73.02823	1.6
81.03349	3.7
82.83681	1.1
83.04918	4.6
85.02874	1.6
91.15034	1.1
93.03343	1.2
95.04922	59.2
96.05219	1.5
97.02860	1.5
97.06494	11.9
101.02363	2.5
107.04989	1.2
107.24403	1.2
109.06499	14.4
113.02373	1.5
119.04936	2.2
119.40576	1.1
121.06486	2.1
123.04440	2.3
123.08070	5.3
125.06022	3.0
125.09641	34.9
126.09985	2.1
135.08087	36.4
139.07584	1.4
139.11230	1.4
141.12891	1.4
161.04497	1.4
161.09560	1.4
163.11241	8.7
171.10187	2.6
179.14381	8.7
185.11772	15.0
189.12794	1.4
197.11821	1.8
203.14482	1.9
207.10228	10.1
209.11819	11.9
210.11992	1.2
211.13341	2.7
223.13396	100.0
224.13739	6.4
235.13440	3.0
243.17476	2.0
247.01202	1.2
247.13351	2.4
263.16599	3.6
265.14481	40.7
266.14880	3.3
273.09381	1.4
275.07211	1.6
287.16562	10.0
289.08755	13.5
290.09476	18.2
291.09985	2.8
305.12003	19.5
305.17603	29.4
306.12265	3.1
306.18112	2.9
323.18753	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
58.26373	0.4
59.01265	100.0
60.01596	1.7
63.04356	0.4
71.01271	2.1
71.58287	0.5
73.02830	0.7
82.83824	0.4
85.02850	1.1
85.21243	0.4
85.93375	0.4
96.95947	1.1
99.00806	0.4
101.02352	1.7
113.02384	0.9
161.04549	1.0
249.92947	0.5
261.13504	2.1
318.93719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1713
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03337	6.6
58.10085	1.3
59.01269	15.6
59.93046	1.1
66.31505	1.0
69.03333	2.4
71.01281	3.4
71.04915	10.9
71.57776	2.1
71.60394	1.2
73.02831	2.4
80.01266	1.1
80.02551	3.4
81.03352	8.4
83.04909	3.9
85.02837	2.5
93.03361	13.7
95.01306	2.0
95.04923	71.0
96.05271	2.4
97.06485	11.0
107.04922	9.7
109.02889	1.6
109.06509	16.8
111.04420	5.9
113.05979	2.1
121.02887	7.0
121.06479	4.9
122.03625	2.3
123.04425	3.6
123.08086	12.8
124.08308	1.6
125.05956	2.0
125.09643	61.7
126.09943	2.9
133.06500	2.6
135.04466	10.3
135.08067	1.5
136.05200	3.4
137.05969	4.1
139.07640	1.6
139.11169	1.5
140.69427	1.4
149.02226	1.2
149.05998	7.3
149.09637	1.9
151.07585	100.0
152.07915	5.3
161.09705	2.8
163.11217	2.6
167.07097	6.3
167.10750	1.8
169.08604	3.0
171.10222	12.9
176.25961	1.5
177.12764	3.6
178.06252	2.1
185.11787	22.4
187.09682	2.3
201.12895	1.7
203.14236	1.7
205.12326	5.9
219.13872	4.9
221.11830	8.3
221.65125	1.3
223.09871	2.1
223.13403	9.8
235.13411	3.1
237.11369	3.0
245.11734	1.8
247.13382	5.1
249.11435	2.5
250.12029	2.0
258.06854	2.0
259.07651	9.2
259.17123	2.2
263.12930	9.1
265.14493	29.2
275.07236	7.0
275.16446	2.4
277.17963	1.9
279.12903	1.3
279.15897	3.0
285.15097	2.8
293.17624	4.1
303.06686	14.1
303.16089	13.7
321.17142	38.2
322.17319	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2079
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.97369	1.0
59.01267	75.7
60.01618	1.0
66.00578	0.9
71.01263	1.9
71.50524	1.0
89.52946	0.9
95.04951	1.6
97.06487	2.1
100.02382	1.0
103.03902	1.3
111.04425	1.4
111.08079	1.0
121.02843	1.0
121.06550	1.3
126.94273	0.9
139.07574	1.0
141.01668	1.6
142.73523	0.9
146.07314	1.7
148.08897	1.6
149.09604	2.1
150.81865	0.9
151.11191	2.9
153.12747	1.8
155.93547	0.9
163.07559	1.1
163.11160	1.7
165.12822	4.6
165.99614	0.9
174.10306	1.2
175.11237	1.2
175.17647	0.9
177.12854	1.3
191.10753	9.3
191.14391	4.1
193.12332	1.7
203.14395	1.4
209.11842	1.1
229.06642	1.1
237.11357	3.2
245.16727	1.5
245.19139	21.8
246.19484	2.6
247.07613	3.3
247.17105	2.2
261.05484	1.6
261.18549	2.0
271.17123	2.8
285.05655	10.5
286.06055	1.1
289.18158	79.4
290.18457	8.0
321.03296	30.6
321.20767	100.0
322.03632	3.6
322.21106	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	322.2031
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.75562	0.2
55.50788	0.2
58.02863	2.1
59.01258	3.1
68.70206	0.2
71.01261	0.4
71.29338	0.3
81.03355	0.3
93.03335	0.4
95.04917	0.9
97.06493	0.6
109.06503	0.6
112.17576	0.2
125.09602	0.3
126.49718	0.2
128.10738	6.8
128.18846	0.2
129.11069	0.4
130.08664	100.0
131.09026	2.6
164.14296	0.2
165.12820	1.0
172.09715	0.5
173.04591	0.4
179.94121	0.3
201.11305	0.6
263.87872	0.3
287.16516	0.4
305.17657	0.5
322.20300	39.5
323.20868	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	323.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13519	1.3
57.03322	2.7
57.08019	1.3
59.01001	1.4
59.01265	17.2
69.03316	1.5
71.01256	6.1
71.57294	1.5
73.02826	2.5
75.00763	1.8
77.11874	1.4
78.56390	1.2
80.96443	3.1
83.01273	1.9
85.02790	1.3
87.00761	1.9
89.02346	3.1
94.59100	1.6
96.95280	3.1
96.95908	61.1
99.04449	3.6
101.02354	4.1
111.01912	74.8
113.02349	3.0
113.98183	1.6
131.03432	3.4
143.03404	1.7
150.45065	1.5
152.98557	1.8
161.04526	8.4
179.05580	3.3
210.99158	100.0
211.99440	3.5
263.08002	1.5
323.01944	64.1
324.02225	2.5
334.46875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.2
71.01249	1.1
71.08006	1.3
82.03528	0.7
87.00806	1.3
97.48228	0.7
111.04433	1.3
111.22391	0.6
115.26855	0.7
115.39151	0.7
117.03352	1.1
121.02879	2.7
130.08656	4.4
135.86389	0.6
137.06000	1.4
145.02884	20.2
146.03287	0.9
177.12772	0.6
179.14256	0.6
189.07056	0.7
193.06541	1.4
194.07138	0.8
203.68333	0.6
206.07379	4.3
217.06581	58.6
218.07278	12.6
219.08049	4.1
221.06097	11.7
222.06868	3.6
232.05212	1.3
233.06119	15.6
233.08533	0.8
233.09715	1.9
234.06645	2.5
235.03807	1.1
235.07664	1.4
245.06108	28.7
246.06519	2.4
249.05461	1.7
250.06381	4.8
263.03735	0.8
277.08749	100.0
278.09094	8.7
289.05121	60.7
290.05536	6.5
321.07773	13.4
321.11240	1.4
321.17090	2.0
321.20874	2.5
322.08133	0.8
322.20419	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	321.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
59.01264	100.0
60.01593	0.9
69.37576	1.5
69.37994	3.5
71.01270	2.7
86.06564	0.4
89.02344	3.2
96.95937	0.7
98.20590	0.8
99.04472	0.6
101.02367	1.6
107.79275	0.5
108.11718	0.5
108.19897	0.4
113.02392	0.8
119.03435	1.1
161.04497	0.6
179.05574	0.8
211.54568	0.5
252.64186	0.5
261.13538	0.6
272.85883	0.5
274.78333	0.5
286.96683	0.5
291.86429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1404
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01779	1.1
57.03327	1.6
57.23508	0.3
58.00482	1.1
59.01266	33.7
59.98822	0.3
60.01607	0.4
69.03348	1.5
71.01270	21.1
71.54350	0.7
72.99183	2.1
73.02845	2.3
75.00822	0.3
83.01279	1.9
84.02052	0.8
85.02835	5.5
87.00772	1.2
89.02336	13.6
95.01258	1.1
96.95900	0.6
97.02865	0.4
99.00789	0.9
101.02345	13.2
111.08068	17.8
113.02354	6.7
119.03427	5.4
122.06003	0.9
123.04328	0.4
131.03389	0.4
136.07622	0.7
138.05528	1.3
139.07579	4.3
141.09131	0.5
143.03424	0.7
153.09155	1.0
154.00171	0.4
155.07170	0.4
157.08647	60.7
158.09013	2.3
161.04553	0.7
179.05592	0.4
199.09692	1.9
241.26746	0.3
257.12967	0.5
319.14047	100.0
319.44275	0.4
320.14368	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	321.0775
Annotation	Vulpinic acid
Peak:m/z	Relative Intensity
56.00858	0.2
59.01254	0.7
71.58829	0.5
89.52200	0.2
93.03394	0.4
94.04839	0.2
107.04958	0.2
109.02909	0.3
121.02851	0.5
121.57418	0.2
137.06009	0.3
155.09505	0.2
163.89883	0.2
191.74239	0.2
217.06557	0.6
218.07310	0.2
219.08144	100.0
220.08492	8.5
221.06113	0.4
221.09604	0.3
230.07484	0.4
231.08186	1.3
232.08693	0.2
233.09723	10.0
234.10036	0.8
235.07637	0.9
244.80734	0.2
245.06122	0.9
247.07672	5.4
248.07921	0.4
249.09230	34.3
250.09579	3.0
258.35010	0.2
259.07635	0.5
263.07162	1.8
267.10315	0.9
275.07217	1.0
277.08752	13.0
278.09155	1.1
289.05112	0.3
293.05225	0.4
293.08240	6.7
294.08688	0.7
303.16080	0.6
307.06006	0.4
321.03860	0.6
321.07877	0.7
321.17148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	13.2
68.58671	1.1
69.36047	1.1
71.04906	1.2
79.63377	1.0
79.65743	1.1
88.68678	1.1
93.06968	2.3
109.06429	1.1
112.11031	1.2
121.06482	1.0
123.08026	1.3
125.09593	1.6
143.76552	1.0
151.07584	2.2
151.95528	1.1
152.42087	1.1
167.84521	1.0
171.10193	1.7
187.09677	1.3
191.08600	1.9
201.11317	2.3
206.74133	1.1
210.06874	4.6
213.05569	8.9
214.06316	4.6
217.06537	2.0
220.71793	1.1
222.06879	7.5
234.06837	17.2
235.07112	1.5
237.05585	77.9
238.06013	7.0
239.06665	1.3
241.04811	1.1
245.06126	4.3
249.09251	11.3
250.09677	1.8
261.05612	2.3
262.06390	67.0
263.06769	5.8
266.05908	4.6
277.08752	22.9
278.05908	59.5
278.08698	2.4
279.06299	4.3
285.15015	2.7
293.08261	100.0
294.08554	7.2
303.16016	6.8
321.04135	1.7
321.07770	16.9
321.17163	12.7
322.08044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	8.7
69.44993	4.8
69.45405	2.1
71.01325	0.8
89.02324	1.1
89.06745	0.7
93.06999	1.7
97.88551	0.7
109.02875	1.6
123.08067	1.5
125.09643	2.8
137.05980	1.1
137.09607	1.1
151.07620	2.0
164.96518	1.0
171.10178	1.0
187.09723	1.2
189.07021	1.1
201.11455	1.1
209.06064	1.4
210.06801	5.3
213.05557	8.2
214.06335	4.6
217.06609	2.9
219.08011	1.3
222.06874	8.4
234.06885	17.3
235.07373	1.8
237.05588	68.5
238.06082	6.4
245.06120	3.7
249.05785	0.9
249.06631	1.2
249.09195	12.3
250.09532	1.8
261.05563	2.2
262.06393	60.3
263.06729	6.2
266.05972	3.9
277.08728	23.0
277.25803	0.9
278.05914	51.9
279.06198	4.8
285.14935	1.6
293.08267	100.0
294.08646	7.8
303.16098	3.2
311.85486	1.0
321.04111	1.1
321.07736	18.9
321.11224	1.2
321.17026	10.2
322.08026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09634	0.4
61.71386	0.3
64.92937	0.4
69.64325	0.7
69.64742	2.1
87.37516	0.4
98.19795	0.6
121.10394	0.4
217.06548	3.8
228.05937	0.5
229.06595	8.8
230.07365	8.1
230.09529	0.5
231.07762	0.8
233.06262	1.0
234.07027	0.5
238.17688	0.4
241.06648	1.1
245.06094	2.1
246.06868	7.1
247.07382	1.1
256.05460	1.6
257.06110	7.2
257.08688	0.5
258.06860	3.2
261.05692	0.7
262.06378	0.8
273.05634	7.4
274.06418	49.3
275.06750	5.4
284.04782	0.9
285.05643	24.8
286.06107	2.3
289.05161	1.5
300.04208	0.7
301.05136	8.5
302.05911	68.0
303.06253	6.9
306.05392	0.5
317.04828	5.7
317.08228	100.0
318.05151	0.7
318.08575	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	319.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35379	0.5
55.33067	0.5
59.01249	1.8
69.03337	0.9
69.26356	6.4
73.02854	0.6
93.03368	1.6
95.01270	0.6
98.19704	1.0
127.95535	0.6
199.03983	20.7
200.04204	1.7
201.06795	0.6
211.03928	2.1
217.06468	1.9
219.08163	13.3
220.08807	2.7
221.75095	0.5
223.07515	2.8
226.02576	0.6
229.06427	0.8
230.07324	0.8
231.08302	0.6
232.05241	2.0
233.05952	0.8
235.07582	1.6
236.08427	9.3
237.09077	0.8
245.06119	3.4
247.07674	51.6
248.08052	4.4
251.07066	2.3
257.06146	3.0
258.06665	1.0
260.04980	0.7
263.07132	1.3
265.38239	0.8
273.05627	36.8
274.06094	3.7
275.07196	36.1
275.09631	0.5
275.10291	0.8
276.07925	38.4
277.08456	3.4
284.04819	1.8
289.05075	0.9
291.06448	2.1
301.05145	34.6
302.05597	5.1
303.06696	11.7
304.07434	26.9
305.07776	2.1
319.06088	21.6
319.09735	100.0
319.22754	2.3
320.06543	1.9
320.10117	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	319.0619
Annotation	Haemodorone
Peak:m/z	Relative Intensity
52.79516	0.8
59.01267	3.7
65.60697	0.6
69.03341	3.2
69.69680	0.7
70.92321	1.2
71.01263	0.9
93.03359	6.9
99.00737	0.7
131.49452	0.6
136.49211	0.7
165.20752	0.6
173.04533	0.7
191.05568	1.1
199.03966	0.8
201.07124	1.0
217.06618	3.5
219.08154	13.7
220.08388	1.1
228.05792	1.4
229.06604	1.4
230.07310	1.9
231.08185	2.5
232.04997	1.2
233.06097	2.1
245.06113	2.9
247.07640	9.5
248.07918	0.9
257.06110	1.8
258.06842	4.1
261.05539	1.9
272.04968	1.0
273.05618	100.0
274.05969	10.5
275.07193	86.4
276.07504	9.6
291.04883	2.4
296.15970	0.7
301.05124	80.3
302.05515	8.2
319.06393	16.2
319.15775	1.1
319.19528	0.9
319.22723	4.3
320.06689	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	319.0979
Annotation	(+)-Rubiginone B2
Peak:m/z	Relative Intensity
55.69701	0.4
55.70603	0.6
59.01266	1.3
62.57053	0.5
69.86005	3.1
78.29404	0.5
79.54620	0.6
92.25639	0.6
93.03349	1.8
99.00735	0.5
108.16611	0.5
119.42084	0.5
197.02359	0.6
199.02135	1.1
199.03986	20.0
200.04373	1.0
204.05692	0.6
211.03975	1.9
217.06570	1.6
219.08145	12.4
220.08850	2.7
223.07623	3.1
226.02704	0.8
227.03543	1.1
230.07204	0.7
231.08055	0.7
232.05220	2.4
233.05975	1.0
235.07561	1.3
236.08424	9.2
237.08961	1.6
245.06062	2.4
246.06375	0.6
247.07666	51.7
248.08073	4.9
251.07217	2.6
257.06036	2.2
258.06870	0.9
261.05551	1.3
263.07205	0.9
270.00424	0.6
273.05615	30.7
274.06036	3.8
275.07202	32.7
276.07941	36.9
277.08261	3.3
284.04700	1.4
287.07047	0.6
289.05020	1.3
290.05850	0.6
291.06580	1.8
301.05109	31.6
302.05551	3.8
303.06677	12.7
304.07452	26.0
304.10956	1.3
305.07703	2.0
319.06104	16.6
319.09744	100.0
319.22696	2.4
320.06403	1.6
320.10062	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	311.2236
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.41317	0.4
57.03325	0.9
59.01253	1.4
60.69311	0.4
70.46793	1.2
70.47146	0.7
73.02305	0.4
79.33116	0.4
92.30931	0.4
96.35629	0.4
97.06474	0.7
100.59562	0.4
112.42957	0.4
125.09635	3.0
127.11202	0.5
139.11159	1.9
141.09149	1.6
141.12764	1.6
143.10675	0.7
145.62283	0.4
153.09116	1.3
155.10736	0.7
155.14322	1.7
157.12306	1.3
167.10718	2.4
169.12363	0.5
171.10225	1.8
183.13832	0.6
185.11749	0.6
200.10585	2.4
221.19104	0.5
239.23875	0.5
249.22313	2.1
265.21799	1.5
267.23312	1.4
275.20172	1.2
283.22733	0.5
293.21301	7.5
294.21558	0.7
305.47311	0.4
311.22345	100.0
312.19058	0.6
312.22684	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	312.1825
Annotation	Heliotrine
Peak:m/z	Relative Intensity
57.03316	2.3
59.01258	4.9
61.57529	1.1
61.98707	2.7
67.43024	1.3
69.03331	2.2
71.01252	2.4
71.56166	1.8
72.99195	1.2
73.02831	3.8
78.95808	1.3
83.04913	6.8
84.04445	1.4
86.06009	2.1
95.04935	1.2
96.04451	11.3
96.17532	1.1
96.95918	2.1
99.04456	1.1
112.07592	40.0
113.02341	1.4
113.07969	1.5
123.04427	1.4
123.08025	1.7
125.05984	1.8
125.09650	6.2
127.11198	2.3
136.88365	1.2
137.09648	4.9
145.02913	2.6
145.06520	2.5
150.03177	2.7
151.04012	5.3
155.10732	2.0
163.11223	2.7
166.02180	1.5
171.10229	16.2
179.10693	1.2
185.11801	3.6
197.11798	4.0
199.09741	35.1
200.10214	1.3
209.11829	1.5
213.11333	10.6
215.12880	55.2
216.13347	2.6
225.11330	22.6
226.11734	2.0
249.14934	1.2
253.09399	2.1
266.17645	2.3
276.16101	5.7
294.17166	18.4
312.18231	100.0
313.14877	2.2
313.18600	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	313.0725
Annotation	Sylpin
Peak:m/z	Relative Intensity
52.13382	0.2
59.01258	0.5
59.63149	0.2
70.91903	0.4
71.01297	0.3
72.64371	0.2
77.03876	0.2
99.21115	0.2
103.33620	0.2
110.95062	0.2
111.48220	0.2
115.51189	0.2
116.45145	0.2
121.02872	100.0
122.03216	3.1
127.83024	0.2
128.82095	0.2
145.02864	0.5
147.36989	0.2
180.05698	1.1
181.06551	4.4
182.06981	0.3
199.07681	0.2
225.05577	7.5
226.05841	0.6
253.09201	0.4
269.08194	0.2
269.12936	0.5
313.07245	17.5
313.14706	0.7
313.23624	0.4
314.07584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19418	0.7
57.03331	1.2
59.01254	1.1
61.05249	0.6
69.95615	1.0
69.96022	1.8
83.04934	1.2
83.63135	0.6
89.72140	0.6
97.02843	1.8
99.08067	1.7
100.62521	0.6
107.62798	0.6
113.09619	2.6
121.10130	1.9
125.09647	2.1
127.11189	1.2
139.11221	6.5
163.11200	1.0
167.10768	0.8
171.08749	1.4
171.10222	20.4
175.11258	1.1
185.11763	1.1
193.12320	11.2
194.12656	0.8
209.11755	0.8
211.13380	7.7
237.57217	0.6
249.22136	1.1
293.21317	19.7
294.21646	1.9
311.22345	100.0
312.22690	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	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.2
59.01256	2.1
69.03327	0.5
71.04922	0.6
71.17310	1.2
83.04905	0.9
97.02850	1.5
97.06474	1.7
99.08047	1.1
103.85378	0.5
105.77190	0.5
113.09648	6.6
121.10186	2.7
123.08058	0.5
125.09634	2.1
127.11183	1.8
137.09683	1.9
138.76859	0.5
139.11220	26.9
140.11575	1.0
141.09244	0.6
145.11050	0.5
149.06012	0.6
149.07568	0.6
153.09105	1.1
155.10728	3.0
163.11197	0.6
165.12738	1.1
167.10706	1.9
171.10222	36.4
172.10564	1.4
182.32718	0.5
183.13847	0.8
185.11754	1.7
185.24062	0.5
193.12338	1.7
195.13855	1.7
197.11841	0.8
197.73013	0.6
209.11792	0.6
211.13376	5.4
228.75871	0.5
249.22258	1.5
265.21832	0.7
275.20111	1.6
293.21301	28.6
294.21658	2.5
311.22348	100.0
312.22696	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	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01249	1.7
70.33311	1.3
70.33695	1.1
71.40498	0.7
74.59371	0.7
97.06476	0.7
121.10143	1.5
123.08089	1.0
125.09637	3.1
127.11226	7.2
137.09686	0.8
139.11224	17.2
141.12837	1.1
151.11212	1.6
155.10738	3.0
167.92511	0.7
171.10226	71.3
172.10551	3.1
183.10225	6.5
185.11794	17.8
190.84612	0.7
201.11319	10.3
211.13437	0.7
275.20212	6.7
276.20657	0.7
293.21310	20.4
294.21652	2.3
311.22348	100.0
312.22711	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	311.2235
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03337	1.2
59.01255	1.4
69.35902	0.8
70.04357	1.6
70.04776	2.5
82.00437	0.7
97.04944	0.6
98.19807	1.2
107.15115	0.7
121.10162	1.3
125.09647	2.1
127.11204	5.6
132.02544	0.8
137.09630	1.1
139.11215	10.4
151.11174	0.9
155.10663	2.3
162.79070	0.7
171.10225	52.9
172.10547	1.6
183.10237	4.3
185.11792	8.6
197.11844	1.2
199.13605	0.8
201.11304	9.5
211.13309	1.9
275.20279	4.3
277.67947	0.8
293.21317	11.4
294.21356	0.8
311.22339	100.0
312.22696	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26943	1.5
57.03316	2.3
59.01241	4.2
59.03392	1.3
60.39959	1.5
65.72793	1.4
66.23166	1.4
69.03335	3.6
71.05391	1.7
71.05727	3.3
97.02848	2.9
105.33882	1.5
119.08561	12.8
121.10013	1.7
125.09642	5.3
127.11214	2.6
131.95647	1.4
137.09645	31.1
138.09914	1.8
155.10736	5.0
167.10660	4.1
170.65581	1.6
171.10216	100.0
172.10583	4.3
183.10202	5.8
185.11824	22.0
195.10284	2.9
197.11798	5.7
201.11354	8.6
211.13319	2.9
213.11256	8.3
225.14981	1.5
229.19691	2.4
247.20636	3.8
273.18744	8.4
291.19736	37.9
292.19931	2.4
309.17169	4.4
309.20721	45.5
310.20999	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	311.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68726	0.6
55.01764	2.9
55.20210	0.8
59.01267	8.4
71.01267	2.3
71.57542	0.8
72.99181	2.0
75.00761	38.6
85.02814	1.1
87.00784	1.3
89.02357	1.4
96.02084	0.7
96.95918	0.8
101.02342	1.1
117.01879	0.9
119.04079	1.1
119.04935	20.0
119.05746	1.5
129.01854	9.3
135.04416	0.8
147.02942	3.2
148.61273	0.7
149.06024	1.6
149.16563	0.6
161.04552	0.7
163.03951	19.1
164.04364	0.9
165.03992	100.0
166.04312	1.9
176.51923	0.7
311.07971	1.4
311.22308	1.6
311.29782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1144
Annotation	Triandrin
Peak:m/z	Relative Intensity
55.01774	0.7
57.03358	0.4
58.27736	0.4
58.39529	0.4
59.01264	100.0
60.01617	0.9
71.01271	6.2
71.29138	1.0
73.02837	2.4
77.42165	0.4
83.01285	1.2
85.02839	3.3
89.02349	2.0
93.03365	0.5
93.49773	0.5
96.95922	0.6
99.00791	1.4
99.48315	0.4
101.02346	4.8
113.02377	2.1
134.03645	0.6
137.02426	0.5
143.03444	0.6
149.04517	0.7
149.06070	0.9
159.02992	0.5
161.04489	3.6
173.04601	0.4
181.05287	0.4
191.05618	0.4
208.27272	0.4
251.11279	0.7
269.10327	3.6
284.02545	0.4
311.11575	0.6
311.22470	0.7
311.29898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.6
58.00491	1.5
59.01275	7.4
66.59453	1.2
69.03341	3.2
70.97579	2.5
70.97916	1.9
71.01250	2.6
80.02561	7.4
83.04898	1.2
84.02054	2.8
93.03335	1.5
95.04907	1.9
95.09055	1.2
97.06484	3.5
101.02344	1.5
119.08572	2.2
123.08076	16.2
125.09636	19.7
127.11211	6.7
137.09668	18.9
139.11229	7.3
141.09111	2.5
141.12762	2.5
149.09679	1.5
151.03928	1.6
151.07581	3.8
151.11305	1.6
152.08400	2.3
153.09135	2.6
155.10722	50.3
155.55562	1.4
165.09113	1.6
166.05869	1.3
167.10693	6.1
168.10872	1.2
171.10228	100.0
172.10524	3.8
183.10185	1.4
185.11798	91.8
186.12074	4.9
193.15736	1.5
197.11801	3.2
197.15433	6.8
209.11923	1.5
209.15385	4.0
211.13333	2.4
212.10524	3.9
247.20735	6.8
263.20071	9.0
265.18042	1.9
265.21765	5.8
273.18604	3.6
281.21271	17.3
291.16367	1.4
291.19724	49.4
292.20065	5.3
309.17081	8.7
309.20703	61.7
310.21213	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	311.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37112	1.7
59.01266	100.0
71.01267	4.8
71.51933	2.2
71.52262	3.2
75.92188	1.9
76.86995	2.0
85.02855	3.8
89.02344	2.9
90.32750	2.3
90.54256	2.0
95.71642	1.8
99.00818	1.9
99.53326	1.7
101.02346	6.8
105.63593	1.7
113.02335	3.3
142.99234	1.8
143.93153	1.8
149.06009	4.8
161.04524	4.3
184.75340	1.9
211.71294	2.0
243.18808	1.9
245.04883	1.8
251.11403	24.6
291.27850	2.0
311.29480	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2024
Annotation	Longithorone K
Peak:m/z	Relative Intensity
51.14114	0.2
57.06240	0.2
58.15866	0.2
59.01267	2.1
66.28132	0.2
70.74310	0.6
71.92798	0.2
79.95626	0.2
86.83290	0.2
106.02814	0.2
133.06509	2.6
149.09659	100.0
150.10002	4.9
183.01181	5.7
184.01767	0.6
197.02843	0.2
213.66420	0.2
219.56223	0.2
249.22198	0.5
251.11324	0.3
293.21252	0.4
311.16907	10.3
311.20169	61.6
312.17191	1.0
312.20529	6.9
320.16492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03332	1.2
59.01252	1.0
69.03331	1.6
71.29833	1.6
81.03336	1.3
83.04901	1.1
88.48896	0.9
93.11830	0.9
95.04857	0.9
97.02848	1.3
110.03660	0.9
123.04459	1.0
123.08035	1.4
125.09631	2.5
127.15410	0.8
137.09669	5.5
141.12779	1.3
150.02841	0.8
163.11261	4.8
165.12808	10.3
166.09897	1.0
171.10237	5.3
179.14330	2.0
181.12323	2.6
183.13837	1.8
193.15973	1.7
209.11826	3.4
217.60658	0.9
223.13362	2.9
227.12935	5.7
247.20732	9.2
248.21101	0.9
273.18631	3.2
291.19724	100.0
292.20078	9.8
300.84320	0.8
309.20767	86.8
310.21106	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	309.2077
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.08154	0.6
51.16199	0.6
54.53165	0.6
57.03337	0.6
59.01261	0.9
67.01777	1.7
69.03350	1.0
71.08768	1.8
83.04897	1.2
88.20486	0.6
93.03329	1.0
97.06505	1.6
111.08089	1.3
119.08582	1.0
121.10149	8.5
125.09673	6.1
137.09659	5.4
163.11327	0.7
164.86792	0.6
167.14334	1.5
167.50322	0.7
171.10223	12.4
185.11801	10.9
186.20053	0.7
195.13930	1.5
197.11772	2.8
209.11792	0.8
211.13391	53.7
212.13768	2.9
223.13365	0.9
247.20670	1.3
256.39120	0.8
273.18732	1.5
291.19727	100.0
292.20090	11.2
309.20773	6.1
310.21036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34190	0.6
65.28059	0.5
68.40923	0.5
69.03345	8.1
69.72527	0.6
71.35721	0.7
71.36057	0.8
81.03355	0.7
83.04923	1.5
85.63627	0.5
93.03367	0.9
96.05903	0.6
97.84403	0.6
107.08575	1.4
108.05730	2.0
119.08590	12.8
120.08929	0.9
125.09682	0.7
127.11221	1.7
135.08078	5.5
137.09654	64.2
138.10025	1.9
171.10226	100.0
172.10550	3.5
201.11253	5.4
202.45010	0.6
247.20644	0.7
264.08081	0.6
273.18686	4.2
289.91672	0.5
291.19717	8.9
303.29263	0.5
309.20776	27.8
310.21133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67900	1.4
57.03339	2.9
59.01271	2.2
69.03334	10.6
71.36047	2.9
75.76757	1.3
81.76496	1.8
83.04907	2.8
91.56534	1.2
94.40317	1.3
95.04942	1.7
97.02859	29.2
97.06521	2.0
106.95251	1.2
108.05744	2.3
109.06505	2.0
119.08585	6.1
125.09625	4.7
127.11192	1.7
137.09644	17.1
163.11240	4.0
165.12750	7.9
171.10225	34.7
179.03404	1.5
179.14400	2.2
181.12299	3.4
183.13936	2.6
187.89923	1.4
193.12340	5.6
193.15976	2.5
207.10295	1.6
209.11813	5.4
211.13403	3.6
223.13440	1.9
227.12907	7.3
247.20778	10.9
253.00682	1.6
273.18741	3.9
291.19733	100.0
292.20129	7.7
309.20779	80.6
310.21167	6.1
320.22736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15358	0.8
57.03384	1.5
59.01323	2.0
66.76555	0.8
71.01334	1.4
71.04967	0.8
71.36674	0.8
81.03427	1.4
83.05003	0.7
95.05013	0.9
97.02954	0.7
97.06519	1.4
99.13842	0.8
117.05971	0.8
120.86029	0.7
123.04537	2.3
123.08170	2.9
125.09657	4.1
137.09743	2.1
139.07697	1.1
139.11328	3.3
141.09302	0.7
151.07655	0.9
151.11244	4.3
152.08385	1.0
153.09222	2.6
154.09988	0.7
162.04633	0.7
163.11302	1.4
165.12895	2.4
167.10843	1.1
169.12320	0.9
171.10297	3.1
175.11429	1.0
177.12834	1.0
181.12494	1.2
185.11819	1.4
195.14015	0.9
199.09735	1.1
200.10513	2.1
201.21315	0.9
203.14474	0.8
209.11819	8.2
209.15486	1.2
211.13396	1.3
214.38359	0.7
221.11909	1.8
237.15192	0.7
239.01566	0.8
239.12860	0.8
247.20695	10.5
248.20999	1.0
265.21817	2.6
273.18729	2.2
273.93127	0.7
291.19733	100.0
292.20078	8.7
309.20761	84.1
310.21179	7.9
334.57962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06707	0.8
57.03320	2.8
59.01260	4.9
63.50555	0.8
67.01758	1.9
69.03332	2.7
71.01255	1.6
71.04899	3.2
71.06618	1.7
80.02567	10.1
81.03354	5.1
83.04915	26.1
84.02065	10.8
85.02803	0.9
92.65573	0.9
95.04898	1.7
97.02847	1.2
97.06492	4.3
98.03625	1.1
99.08048	7.3
100.14143	0.9
109.06505	3.5
111.08075	2.1
113.09646	1.8
115.07597	5.0
119.08583	1.9
123.04406	3.8
123.08085	2.1
125.09654	5.8
127.11205	4.7
135.08084	2.0
137.09656	55.6
138.10005	2.2
139.11214	9.9
142.02631	0.8
151.03899	1.1
151.07568	3.9
151.11229	6.1
152.08318	1.5
153.09160	8.6
153.12766	1.5
154.09866	1.9
155.10722	51.7
156.10997	2.6
161.03139	0.9
165.12842	2.1
167.10718	4.5
167.14406	1.5
169.12312	2.1
171.10231	62.8
172.10599	1.9
175.11220	1.2
177.12691	1.1
185.11853	1.3
193.12329	29.3
194.12614	1.9
195.13818	1.4
197.11853	1.9
209.11784	3.5
209.15468	2.8
211.13516	5.7
221.11890	1.9
247.20702	6.8
263.20190	5.9
265.21808	10.7
273.18655	2.8
281.21207	1.9
291.19730	97.1
292.20074	8.5
309.20755	100.0
310.21143	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24881	0.6
52.71246	0.7
57.03348	2.6
59.01286	0.7
59.43215	0.8
69.03349	1.0
70.35310	1.8
70.35704	1.8
71.04907	15.6
83.04929	1.0
95.04923	1.3
97.06467	4.5
107.04923	1.8
109.37719	0.7
111.08054	1.0
114.20282	0.8
121.08880	0.8
121.10162	11.1
123.04496	1.1
123.08092	1.3
124.18842	0.8
125.09642	10.2
135.08138	1.1
137.09659	19.6
141.12784	1.4
147.08116	0.9
171.10222	39.8
172.10553	2.1
175.19991	0.8
185.11800	15.9
186.12206	1.0
197.11819	2.3
207.13916	2.1
207.17596	1.8
209.11784	1.4
211.13524	1.4
219.13890	1.5
231.44386	0.9
233.15596	1.0
235.17108	1.2
237.15007	2.9
247.20792	1.6
251.16565	40.1
252.16852	3.9
273.18622	2.4
291.19733	100.0
292.20084	10.1
309.20786	92.1
310.21112	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09980	0.5
50.76559	0.6
53.82284	0.6
56.38440	0.6
57.03114	0.6
57.03332	2.9
59.01272	1.4
62.91020	0.5
69.03355	1.1
71.01311	0.7
71.04908	16.0
71.30022	1.4
74.78813	0.7
77.98368	0.7
79.23212	0.7
81.03378	2.2
83.04911	0.6
85.49792	0.6
88.35451	0.6
93.07045	1.1
95.04964	1.5
97.06494	6.8
104.44984	0.6
107.04957	1.7
109.06515	1.2
119.04975	0.7
119.08600	1.4
121.10146	10.7
123.08125	2.1
125.09648	9.2
135.07980	0.9
137.09659	24.9
138.10011	0.7
141.12793	1.3
146.89894	0.6
171.10220	46.2
172.10587	2.0
185.11795	15.4
186.12207	0.7
191.68387	0.7
197.11815	1.8
207.13934	1.7
207.17441	0.7
209.11899	0.9
209.15419	0.9
211.13437	0.9
219.13922	2.3
233.15469	0.9
235.17105	1.4
237.14983	3.1
247.20673	2.1
251.16557	37.7
252.16896	3.0
259.42499	0.6
273.18652	2.3
291.19733	97.7
292.20047	9.7
296.47244	0.7
309.20779	100.0
310.21121	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
59.01263	5.8
69.03327	1.4
71.01266	1.5
71.04913	1.6
80.02543	1.7
80.80949	0.8
81.03336	2.3
83.01276	8.0
83.04913	4.8
95.04897	2.1
97.02868	2.1
97.06485	4.4
98.03611	1.6
107.04932	1.0
109.06531	0.8
111.08067	1.1
123.04420	1.8
123.08080	5.1
125.05978	2.2
125.09648	12.5
127.11198	1.6
137.09631	4.5
139.11215	12.5
141.09143	1.6
149.09605	1.0
151.07536	1.7
152.08356	1.6
155.10686	1.2
161.09663	1.0
163.11234	6.9
165.09198	1.3
165.11546	1.3
165.12807	14.8
167.10715	4.4
167.14372	1.1
168.11351	1.5
171.10266	5.8
171.11568	1.2
181.12263	4.4
183.13889	2.0
185.11816	2.8
191.10712	3.6
193.12242	1.2
193.15936	3.6
197.11841	1.6
207.10179	1.1
209.11816	61.9
209.15065	2.0
210.12141	3.9
211.13312	3.2
219.17665	1.2
221.32028	0.8
223.13422	1.4
247.20702	12.3
263.20190	1.3
265.18466	0.8
265.21680	4.2
273.18683	4.4
274.19077	1.1
281.21182	2.6
291.19724	100.0
292.20020	10.9
309.17255	2.7
309.20731	43.3
310.21210	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92682	0.9
53.70155	0.9
55.57589	0.9
58.00484	1.4
59.01250	2.1
59.66850	0.9
64.44101	0.9
69.03331	1.9
69.27913	0.8
70.05434	4.4
71.04898	1.2
77.23515	0.7
82.82348	0.9
83.04917	1.2
97.02897	1.2
97.06501	1.6
99.22340	0.8
104.27074	0.8
109.06477	1.3
111.07298	1.8
111.08069	34.7
112.08389	0.9
127.07570	2.0
132.54018	0.9
135.20848	0.9
137.09622	2.9
161.89221	0.9
161.94087	1.0
165.12766	0.9
169.12305	6.8
171.10213	3.3
179.10800	1.0
181.12294	2.3
183.13861	1.2
188.03987	0.8
193.16217	1.0
197.11812	100.0
198.12117	7.2
199.13351	3.2
209.15479	3.0
211.13377	10.9
223.17200	1.7
225.14987	1.6
227.12932	4.0
233.15475	0.9
247.20764	2.3
251.16621	2.9
263.20172	5.7
265.18149	2.4
273.18625	2.9
291.19714	21.3
292.20102	2.8
309.20761	42.6
310.21268	4.9
319.86078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	15.7
59.01254	13.4
68.00069	2.6
69.03340	4.7
70.35161	4.9
70.35536	10.0
71.01273	14.9
80.02586	4.6
83.04929	8.1
93.06983	5.8
95.04928	6.9
97.06493	25.6
111.08064	15.4
121.06470	7.4
123.08077	4.5
125.09653	13.3
135.08080	10.7
137.09604	5.1
149.09659	5.9
151.11243	33.6
153.09146	9.2
153.12816	4.8
155.10709	11.7
163.11203	8.2
165.12807	44.4
167.10703	7.4
169.12285	5.7
171.10205	23.0
177.12724	4.0
179.10754	15.8
181.12315	47.0
182.12679	3.9
185.11769	27.4
191.10802	18.3
191.14401	11.0
195.10251	3.1
197.11862	3.6
205.12308	4.3
209.11813	100.0
210.12120	7.0
211.13327	13.6
245.19118	40.5
246.19392	5.5
261.18710	5.2
263.20126	14.8
271.17172	4.9
279.19632	7.9
289.18155	49.5
290.18423	5.1
307.19211	99.7
307.22659	6.7
308.19479	7.3
312.15366	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	307.2286
Annotation	Isoobtusilactone A
Peak:m/z	Relative Intensity
56.64874	0.4
59.01251	1.0
62.45617	0.3
71.01227	0.5
82.65902	0.3
96.95918	0.8
98.20612	0.6
113.95380	0.3
135.35410	0.4
161.04492	0.5
170.18228	0.3
229.54646	0.7
283.49219	0.4
307.22852	100.0
308.23209	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	307.2285
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.27749	1.1
59.01261	11.8
62.14644	1.1
67.56142	1.1
68.25871	1.2
69.53214	8.0
71.01254	3.8
85.02835	1.7
87.57439	1.3
119.52499	1.3
161.04489	3.4
173.47893	1.4
177.12836	1.5
177.16371	1.4
179.14267	7.2
185.11884	1.9
195.13797	2.2
205.12331	2.4
205.15973	5.6
223.13406	10.7
231.21193	6.6
235.13503	1.3
275.20209	100.0
276.20538	10.0
289.18265	1.9
291.09235	2.3
307.10416	3.0
307.19455	5.3
307.22827	81.1
308.23163	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	309.1197
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
57.03326	1.9
58.00456	1.8
59.01265	56.7
65.56416	1.0
69.81091	5.0
69.81496	2.1
71.01271	32.7
72.99197	5.8
73.02825	4.9
75.00762	4.0
78.95797	2.8
83.01276	1.5
83.04913	1.9
85.02843	7.7
87.00787	1.9
89.02336	25.1
89.03424	1.0
93.88523	1.0
95.01256	1.6
96.96840	4.1
98.19814	1.2
99.00752	1.7
101.02345	19.4
101.66400	1.0
103.11559	1.1
111.04446	2.5
113.02353	11.0
117.01845	4.1
119.03417	11.3
120.99565	2.4
129.01843	1.4
129.05522	13.1
131.03435	1.0
147.06569	10.0
150.29646	0.9
161.04483	2.3
187.03958	1.6
188.04784	2.1
203.60187	1.1
216.64558	1.0
237.06189	1.1
247.06277	1.1
257.51547	1.1
294.74799	1.2
300.60611	1.1
309.11978	100.0
310.05743	1.2
310.12320	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39207	0.5
57.03323	1.7
59.01271	1.1
68.73520	0.5
71.30093	1.1
75.30759	0.4
83.04916	0.6
96.33471	0.5
97.06486	1.6
97.44326	0.5
102.01911	0.6
121.10165	0.5
123.08099	1.7
125.06013	0.6
125.09661	4.6
127.11214	2.0
137.09657	1.5
139.11229	0.6
141.09210	1.3
153.09152	1.3
153.12773	0.9
155.10728	1.1
155.14317	0.7
165.09146	0.7
169.08707	0.5
171.10251	4.4
183.13852	0.9
185.11858	1.2
199.09731	4.6
200.10536	5.6
201.11273	4.4
211.13498	0.7
211.17168	0.6
213.11295	0.8
215.13011	0.7
237.22256	0.5
247.20744	5.1
248.21181	0.6
263.20236	0.9
265.21768	2.0
273.18671	1.3
281.21252	1.3
291.19733	13.9
292.20117	1.0
309.20776	100.0
310.21133	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	309.2079
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03334	8.4
59.01272	15.1
61.76169	1.7
69.03345	3.9
71.01273	5.2
71.04916	2.0
80.02571	11.5
83.04939	2.0
96.95933	8.0
97.06490	5.9
99.00812	2.0
101.53259	2.0
111.08073	2.3
113.09637	3.1
123.08080	18.6
125.09659	18.8
127.11234	7.5
137.09682	18.3
139.11227	6.8
141.12776	4.0
151.03955	3.9
151.07590	4.2
151.11229	8.5
152.08386	6.4
153.09131	2.9
154.02701	1.6
155.10735	44.6
157.62547	1.9
165.12790	7.7
167.10718	7.2
171.10237	100.0
172.10617	4.5
181.12311	7.2
185.11806	80.8
186.12199	2.9
191.10777	2.6
197.11761	4.4
209.11835	17.5
209.15479	7.4
210.12134	2.4
211.13451	4.4
212.10536	3.4
229.51387	2.7
247.20677	9.5
251.16635	2.3
263.20273	11.1
265.21753	6.4
273.18488	3.3
279.86523	1.9
281.21280	14.6
291.19717	57.0
292.20157	2.8
309.17218	25.8
309.20807	64.6
309.24219	2.5
310.17670	3.1
310.21106	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	6.1
69.88343	3.4
69.88748	2.1
71.01249	1.7
71.04910	1.0
71.32199	1.0
79.09375	1.2
80.02558	1.0
81.03380	1.0
83.04916	2.6
83.28688	1.0
85.06427	1.3
93.51696	0.9
96.95910	1.1
97.06485	1.8
98.03613	1.2
98.20569	1.2
99.08029	3.8
101.02390	1.0
109.06491	1.5
112.05491	0.8
123.08100	2.0
125.09663	2.6
127.07565	15.0
137.09647	3.1
141.09158	1.5
149.09694	1.6
151.11215	7.7
153.09196	1.1
155.10796	2.4
161.04405	1.1
163.11188	1.3
167.10683	1.1
169.12360	1.2
177.12834	2.4
179.10736	2.3
191.14368	3.1
193.12354	1.2
195.13890	1.8
197.15390	1.0
197.85693	1.0
205.12383	1.3
213.41103	1.0
217.15837	1.0
223.13353	2.1
233.15437	1.7
235.20668	1.4
245.19136	18.9
246.19458	1.6
251.16571	1.1
252.13585	1.8
260.59155	1.2
263.20206	3.8
271.17096	2.4
279.19659	2.7
289.18152	56.7
290.18542	5.1
307.19205	100.0
308.19495	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	6.4
59.01272	6.0
60.64442	1.5
60.90137	1.5
66.57086	1.5
69.03339	3.0
69.40300	15.2
76.55733	1.7
80.02573	2.1
81.03350	4.6
83.01279	5.9
83.04930	4.8
88.61969	1.8
92.40870	1.5
95.04928	3.8
97.02870	5.7
97.06506	7.8
98.16425	1.5
100.65891	1.7
109.06495	3.0
119.08575	2.0
123.04416	10.3
123.08089	4.5
125.09652	18.3
135.08075	3.3
137.06039	2.6
137.09666	12.6
141.12793	3.6
149.05965	2.9
163.11205	15.6
165.12769	3.0
167.10626	2.3
167.29362	1.5
171.10229	2.6
181.12314	5.7
185.11830	18.1
189.12732	1.8
191.10727	3.5
191.14417	20.8
207.10286	12.7
209.11819	49.1
210.12172	3.7
211.13329	2.9
217.15919	2.1
225.11342	12.4
245.19124	42.0
246.19510	3.9
263.20215	2.9
271.17145	3.2
289.18149	100.0
290.18576	8.2
307.19232	47.5
308.19482	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14027	2.5
57.03337	18.1
59.01266	30.9
63.80417	2.8
64.91666	2.8
68.42922	2.8
69.03355	5.1
69.43036	2.5
70.62962	8.7
71.01275	19.0
71.04890	4.6
83.04895	7.9
86.01105	2.5
86.47373	2.5
89.23930	3.1
93.03316	4.1
95.04899	3.9
97.06492	27.3
107.08592	2.9
109.06500	5.3
111.08047	12.3
123.04410	5.4
123.08062	5.7
125.09612	10.1
129.09158	2.7
135.08031	4.1
135.69862	2.8
137.09656	4.9
147.11681	3.5
149.09625	9.2
151.11223	27.6
153.09177	6.2
153.12712	5.0
155.10710	14.0
157.12341	2.8
161.04492	6.8
163.11212	6.7
165.12796	34.5
167.10687	7.0
169.12216	4.2
177.12694	7.2
179.03624	3.4
179.10739	8.9
181.12294	42.2
191.10764	15.8
191.14366	5.8
197.11729	5.0
199.68323	2.8
205.12357	4.6
207.10208	3.2
209.11818	82.7
211.13362	10.0
237.14954	6.2
239.09399	4.2
245.19139	40.8
246.19521	3.7
261.18698	4.1
262.03616	3.0
263.20267	13.4
275.20209	9.7
279.19595	6.4
289.18167	49.5
289.21194	2.5
307.10709	4.4
307.19171	100.0
307.22787	20.8
308.19547	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29802	0.4
57.03331	0.5
59.01280	2.5
69.03326	0.5
70.64839	1.0
70.65191	0.4
71.01270	0.6
71.04910	5.5
80.02532	1.3
81.03357	1.6
83.04931	2.1
93.03312	0.6
95.04928	1.9
95.50674	0.3
97.06461	0.8
98.03639	1.9
98.20468	0.4
106.04119	1.0
107.04903	0.7
109.02798	0.5
109.06503	14.9
110.06856	0.5
111.04432	6.6
111.08055	1.7
112.05211	0.7
121.06470	0.5
123.04407	0.7
123.08047	1.5
127.07582	2.8
135.08043	0.4
137.05989	1.0
137.09619	1.0
143.10727	1.8
145.06552	2.0
149.05995	0.5
149.09624	1.4
151.11205	0.5
163.11220	0.7
167.10718	2.3
169.12276	0.4
177.09073	0.4
177.12833	0.9
179.10713	1.3
181.12309	0.7
191.14363	0.9
195.13916	3.7
198.86462	0.3
207.17577	0.7
235.13467	1.8
243.17601	0.4
245.19128	5.1
246.19435	0.4
249.14972	0.8
251.16525	1.3
261.18579	0.5
265.18051	0.4
271.17062	1.3
273.15015	0.4
287.16522	1.8
289.18158	100.0
290.18527	9.4
291.09357	0.7
295.67880	0.3
307.19226	11.6
308.19553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.9
59.01255	2.1
66.22358	1.2
67.16301	1.1
70.87338	4.0
71.25471	1.2
80.02568	1.2
81.03364	1.6
83.01292	1.7
83.04886	1.3
91.15887	1.3
95.04913	2.6
97.02831	1.7
97.06474	2.4
107.08591	3.1
109.02847	1.4
110.03604	1.7
121.06523	2.6
123.04462	7.5
123.08097	9.4
125.06007	2.3
125.09641	6.2
135.08076	2.2
137.09622	3.8
139.11198	3.9
142.02609	2.6
149.09738	1.7
151.11186	3.4
155.14317	1.5
158.61099	1.4
163.11208	5.3
175.41420	1.3
177.12851	1.8
181.12329	1.5
185.11812	4.1
191.14406	5.5
199.09723	4.0
199.13377	18.8
207.10329	2.4
209.11867	9.6
217.15910	1.6
221.11674	1.2
225.11343	3.1
233.15599	1.5
243.17604	1.5
245.19110	21.9
261.18649	1.3
263.20187	2.5
271.17023	3.0
289.18173	89.1
290.18399	5.2
307.19220	100.0
308.19522	7.8
314.29074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60639	1.7
55.01764	3.6
57.03336	4.5
59.01255	2.2
65.03851	56.3
66.36825	1.9
70.29753	1.6
70.35285	1.7
70.61312	5.3
71.04909	35.6
73.96822	1.7
83.04906	2.4
97.06489	68.6
98.06839	2.3
98.79545	1.6
104.97516	1.7
107.08546	4.9
119.08595	14.3
121.06509	90.8
122.06816	2.5
123.08113	2.3
125.09646	38.5
137.09639	5.5
141.12814	2.4
144.30518	1.6
171.10243	1.9
181.96927	1.9
185.11790	100.0
186.12212	5.2
198.87468	2.0
199.09666	3.5
200.10506	3.1
209.11815	38.0
211.13383	35.5
225.38329	1.8
235.13397	89.9
236.13733	4.9
245.19106	3.6
249.14807	2.0
263.20517	2.6
289.18167	25.0
307.19196	49.7
308.19592	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99804	0.7
57.03329	2.8
59.01263	10.6
67.05411	0.7
69.03353	1.3
69.97181	3.6
71.01252	1.2
80.02577	2.4
81.03350	2.7
83.04928	1.3
95.04911	3.6
97.02849	8.3
97.06483	4.2
101.05991	0.8
107.04904	1.1
109.06499	1.8
113.09639	1.2
121.06506	2.4
123.04450	6.3
123.08059	6.5
125.09644	1.6
135.04449	0.9
135.08112	0.9
136.05251	1.3
137.09717	1.1
139.11205	2.6
142.02577	1.2
144.48486	0.6
147.08066	0.8
148.08896	0.9
149.06052	0.7
149.09680	4.8
151.07693	3.1
151.11215	7.8
152.08334	1.3
153.12793	2.5
161.09641	0.8
163.11226	1.9
165.12849	3.6
174.10516	0.8
175.11179	0.9
177.12804	1.1
183.10225	1.5
184.93254	0.7
185.11853	1.6
191.10802	1.2
191.14340	6.0
193.12338	1.7
199.13330	2.2
203.14304	1.6
203.35629	0.6
209.11789	6.2
217.15971	3.6
229.16161	0.7
235.13446	1.8
238.12164	1.8
245.11867	1.2
245.19136	55.5
246.19446	4.4
247.17122	1.0
263.16577	0.7
265.18066	1.4
271.17032	2.2
287.16629	1.1
289.18161	100.0
290.18524	8.0
307.15750	1.1
307.19174	10.9
308.19504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1405
Annotation	NSC-224070
Peak:m/z	Relative Intensity
56.24448	0.9
58.00505	1.8
59.01263	34.8
61.58358	0.8
69.03354	1.3
71.01271	17.1
71.37993	2.0
72.99187	1.4
73.02841	1.5
77.62991	0.8
83.01268	2.0
85.02835	3.2
89.02332	15.0
95.01302	1.3
96.95929	1.3
99.08057	18.5
101.02342	10.9
113.02345	6.3
119.03400	5.0
127.07560	2.5
129.09103	1.5
141.09138	1.7
145.08638	50.6
145.79300	1.1
146.08977	1.3
158.83246	1.0
161.04472	2.2
183.77563	0.9
187.09743	2.6
230.45761	1.0
236.60602	0.9
239.80624	1.2
278.16232	1.0
307.14044	100.0
308.14569	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	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.4
57.03334	3.3
65.03850	61.8
66.04173	2.0
69.03326	1.4
70.61206	3.0
71.04910	41.9
83.04903	3.7
95.04904	1.6
97.06489	70.2
98.06846	3.4
119.08580	11.5
121.06513	95.8
122.06820	4.0
123.08101	3.4
125.09641	45.8
135.08109	1.6
137.09642	3.9
141.12766	2.4
150.19003	1.2
169.08694	1.3
185.11801	78.1
186.12132	4.4
186.13878	1.3
187.25502	1.4
209.11801	33.3
210.12170	2.3
211.13387	35.6
212.13695	1.5
235.13412	100.0
236.13815	5.7
289.18124	20.1
290.18463	1.3
307.19180	27.1
308.19437	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.8
59.96613	0.3
61.79388	0.2
71.01277	0.4
71.38427	0.5
74.98965	4.3
85.02856	0.3
91.02092	2.9
91.10912	0.2
93.00034	2.9
97.06467	0.3
115.95296	0.2
125.09658	0.2
149.00888	2.6
150.98915	0.3
159.08418	7.6
160.08492	0.4
161.02469	0.4
161.04477	0.4
161.06339	2.2
185.11810	0.3
192.98076	0.8
206.99678	1.5
209.01280	2.5
217.07222	0.8
223.02837	50.2
224.02844	3.7
241.03911	1.3
245.19159	0.4
263.20224	0.2
275.06067	0.6
289.07605	1.9
289.18134	0.9
291.09161	100.0
292.09317	10.6
307.09088	0.2
307.12427	3.7
307.19189	2.8
308.12399	0.4
308.19299	0.3
309.10260	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	307.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93536	0.3
59.01266	3.2
59.60624	0.4
62.90730	0.4
65.89772	0.3
66.87104	0.4
67.40437	0.4
69.00739	0.4
71.01283	0.8
71.04922	0.3
71.59148	0.5
74.98959	4.8
77.45825	0.4
83.63393	0.4
85.02837	0.5
87.00758	0.3
91.02109	2.5
93.00038	3.8
106.05016	0.4
131.89508	0.4
149.00897	1.9
159.08415	6.9
161.04507	1.5
161.06314	1.6
192.98138	0.5
206.99672	1.6
209.01282	2.3
217.07208	0.8
223.02849	46.7
224.02863	4.0
225.00664	0.4
241.03839	0.8
275.06088	0.4
289.07742	1.8
289.18250	1.2
291.09171	100.0
292.09299	10.5
307.12509	5.1
307.16046	0.6
307.19080	1.9
308.12280	0.4
309.10114	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	307.0983
Annotation	Moracin D
Peak:m/z	Relative Intensity
51.13183	0.4
58.12539	0.4
59.01266	3.4
60.38136	0.4
70.91077	0.6
70.91434	1.0
71.01292	1.0
83.04889	0.4
84.23111	0.5
85.02869	0.7
89.02409	0.5
93.03362	3.9
97.06527	0.5
101.02360	0.7
113.02409	0.5
121.06540	1.1
124.55685	0.4
125.79205	0.4
129.21910	0.4
135.04399	0.6
158.29253	0.4
160.53758	0.4
161.02426	0.6
161.04544	1.6
177.07077	1.3
179.03452	0.7
182.03711	3.1
185.11867	0.4
190.77208	0.5
193.06499	4.1
195.08168	4.6
198.03111	0.5
199.03999	5.4
200.04376	0.8
205.06572	4.7
209.06047	2.5
219.08134	1.2
221.06100	5.0
222.06577	0.7
223.07610	5.5
227.07300	0.7
232.05359	1.0
233.06055	9.5
234.06639	1.0
235.07605	0.9
235.13367	0.6
236.04800	7.4
237.05579	8.3
245.06117	2.1
246.06952	2.9
247.07745	2.7
248.08356	1.4
249.05603	2.0
249.09291	2.4
251.07164	20.6
252.07617	1.7
258.69830	0.5
263.07211	4.9
263.10822	1.6
264.04358	0.5
264.07660	1.4
274.06415	34.5
275.07065	11.6
276.07513	1.1
277.05154	5.9
277.08517	0.7
279.10168	1.2
281.11713	0.5
289.08746	7.1
289.18246	1.6
290.09045	0.5
292.07480	100.0
293.07806	9.5
307.09827	71.5
307.19122	2.6
308.10202	6.7
319.06183	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	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.5
60.97412	1.6
63.96140	0.4
69.02594	0.4
69.03335	1.5
71.01266	1.0
71.58552	0.4
72.99192	0.6
73.98201	3.9
74.98987	100.0
75.99310	0.7
78.22814	0.4
86.37923	0.3
87.00784	0.6
89.97704	0.4
96.82813	0.4
96.95907	1.6
97.02847	0.5
99.00787	0.5
108.02179	0.4
120.99570	0.6
127.57433	0.3
135.04482	0.6
136.99072	72.9
137.99359	0.8
161.02394	0.4
161.04492	0.9
163.03960	0.6
185.00914	0.4
191.03398	0.6
241.68416	0.4
307.12463	0.9
307.19284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22755	1.3
59.01255	4.3
70.93697	1.3
71.01265	2.1
72.00793	3.3
72.04435	23.7
84.08868	1.3
87.05537	14.4
88.03939	13.9
88.64333	1.3
91.05420	9.7
91.98219	1.3
97.03970	3.9
97.06484	2.2
98.02371	2.7
98.20657	2.4
98.90523	1.6
99.05535	3.8
100.03946	100.0
109.03996	3.4
114.01868	3.8
115.05048	96.1
118.06524	2.3
134.03667	28.1
135.04501	7.6
144.02959	57.2
145.03259	2.0
147.04425	4.7
156.09941	1.4
161.04639	1.6
164.07091	2.5
173.07213	1.7
174.05580	2.1
176.07127	17.4
178.02753	3.7
179.03461	1.6
190.05069	2.5
191.11841	2.0
199.02672	1.8
199.08824	2.5
201.10326	11.5
219.11388	5.1
220.06131	4.6
230.57681	1.5
235.10904	57.5
235.80634	1.4
236.11246	3.3
245.09357	30.0
261.08899	5.5
263.10416	21.1
264.05106	1.5
283.85468	1.4
289.08435	5.2
298.70514	1.6
307.09308	5.8
307.12518	9.6
321.52072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1764
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03334	2.1
58.02839	0.8
59.01263	9.1
65.03867	0.7
68.96812	0.7
69.03345	1.8
71.01263	2.2
71.58504	1.2
71.58873	0.9
80.02542	1.1
83.04881	1.0
85.02843	1.2
90.70243	0.7
92.95884	0.7
93.03362	2.0
93.06970	0.9
94.05692	0.7
95.01282	1.5
95.04915	1.9
97.02845	1.0
97.06471	2.8
99.00834	0.9
105.06995	1.6
106.04118	1.2
107.04939	1.7
107.08586	5.7
109.06451	0.8
117.06972	1.0
119.08561	0.8
121.06495	1.4
123.04435	1.4
123.08064	2.5
123.16618	0.7
125.09647	8.4
133.06493	1.4
135.04433	1.0
135.08086	9.2
137.09656	1.8
139.11256	0.9
141.01660	1.4
141.09106	1.4
146.07326	1.5
149.09677	1.9
151.07568	1.2
151.11221	2.7
153.09180	1.1
161.05956	0.9
161.09682	1.0
162.06697	1.1
165.12753	1.1
171.10199	2.1
172.08986	1.1
174.10419	0.9
177.09190	0.9
179.07027	1.0
179.10695	1.6
181.12318	3.0
187.11165	0.9
189.12854	3.0
192.11317	0.7
196.07535	1.0
199.09735	3.1
201.12971	1.0
207.13879	4.3
213.11295	1.8
215.14333	1.0
225.16525	1.1
233.19084	1.2
243.17554	23.1
244.17949	1.6
261.18701	8.8
262.19043	0.8
269.15482	2.8
287.16602	27.2
288.17038	2.2
305.08200	2.4
305.17642	100.0
306.17950	10.1
307.42188	0.8
316.63757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1766
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.32436	1.1
57.03328	1.5
58.02859	1.4
59.01262	17.9
61.98706	1.3
69.03364	1.6
71.01287	1.1
71.04907	50.3
71.58732	1.6
73.02861	1.2
81.03349	4.2
83.04914	3.0
85.02852	1.0
93.03335	2.9
93.07011	1.0
95.04920	20.0
97.02859	1.2
97.06502	2.6
106.04137	2.2
107.04929	3.5
109.02872	2.1
109.06497	17.2
111.04395	2.7
119.04918	2.4
121.06507	5.7
122.03670	1.5
123.08043	1.6
127.07577	3.2
135.04430	1.1
135.08078	4.4
139.07556	1.3
141.01628	6.6
147.04343	2.1
147.08052	3.7
149.05981	1.3
150.06744	2.1
153.09109	3.0
161.06033	2.6
161.09720	1.2
163.11124	1.7
165.09163	11.5
165.12720	1.1
168.13901	2.2
169.14203	3.1
171.07857	1.1
189.12852	17.2
191.14369	3.2
205.15990	9.2
206.16261	1.9
217.15968	3.7
231.13921	2.0
233.11800	9.1
235.48605	1.1
243.17589	10.3
249.14998	13.5
261.05582	2.5
261.18616	1.8
263.16391	1.3
269.15521	4.4
273.18558	7.1
287.16595	86.1
288.16867	8.1
289.08572	1.4
305.04803	1.8
305.08200	4.8
305.17615	100.0
305.21277	32.9
306.17932	9.4
306.21555	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	305.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02927	0.4
59.01260	2.0
70.91790	1.1
71.01257	0.6
87.06055	0.4
93.03365	0.8
93.38778	0.4
105.03305	0.4
115.05467	1.0
123.04449	0.5
125.03873	1.5
132.44536	0.3
133.02910	1.1
143.04910	1.2
169.02890	1.4
171.74162	0.4
187.03984	4.9
197.02420	1.0
198.03220	18.4
199.03519	0.8
206.07353	0.5
213.01955	0.7
215.03506	42.0
216.03882	2.2
217.06584	1.5
218.07059	0.6
219.08124	5.2
221.06058	1.5
233.06107	0.8
241.01459	0.9
245.06149	5.2
246.06914	1.9
267.65741	0.4
277.08655	0.9
287.16501	0.5
289.05136	20.5
289.92804	0.4
290.05765	5.8
305.08258	100.0
305.17618	1.7
306.08588	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	305.119
Annotation	Anthrasesamone A
Peak:m/z	Relative Intensity
53.39597	0.3
59.01067	0.5
59.01391	1.4
60.99287	0.4
70.73154	0.6
76.70225	0.3
77.37885	0.3
81.36391	0.3
93.09492	0.3
115.59711	0.3
135.08214	0.6
141.01735	0.4
150.96811	0.3
203.08682	1.8
205.10294	0.7
212.04832	1.9
213.05583	2.1
217.10243	2.4
219.08176	0.5
233.09737	6.7
233.11980	0.6
234.10165	0.4
243.17648	0.7
247.07654	3.3
248.07877	0.5
261.05853	0.5
261.09293	3.1
271.07730	0.7
273.05661	0.4
277.08746	2.5
278.09354	0.3
287.07175	0.5
287.16617	0.9
288.08060	0.5
289.08771	100.0
290.09457	33.0
291.09906	2.3
305.08237	3.1
305.11865	42.4
305.17596	2.4
306.08887	0.7
306.12201	3.8
314.11362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1766
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01768	1.0
57.03333	2.2
59.01266	3.1
62.19887	0.6
65.03859	3.1
69.03336	0.9
69.98077	3.0
71.04910	8.5
79.05428	11.8
81.03341	0.8
83.04919	1.3
85.78385	0.6
93.03349	1.5
95.04919	1.7
97.06494	17.0
98.19878	0.8
106.04156	7.5
107.04955	2.6
107.08624	0.7
108.02100	0.7
109.06499	3.3
110.51864	0.6
117.07020	0.8
119.04942	1.7
120.05717	6.1
121.06510	4.4
123.08095	9.0
125.05962	0.6
125.09649	19.1
126.10043	0.8
133.06540	1.1
135.08089	100.0
136.08405	4.9
137.09645	1.8
149.09712	0.6
151.11223	2.7
153.25267	0.5
161.06001	1.1
163.11246	2.1
170.24582	0.7
177.12868	1.1
183.10164	1.1
185.11789	2.4
189.12801	2.2
199.13422	0.9
205.16010	6.3
206.16301	0.7
207.10280	2.5
209.11812	2.0
211.13301	1.1
217.06554	0.8
221.06339	0.7
221.11845	1.8
229.75554	0.7
231.13873	1.9
233.11882	1.5
243.17654	1.0
245.06009	1.7
247.07745	2.2
249.14996	49.8
250.15363	4.0
261.05505	2.1
263.16519	2.2
269.15576	1.8
273.05801	1.2
287.16516	7.3
305.08115	12.1
305.17645	82.0
306.08557	1.5
306.18002	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	305.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99194	4.6
61.27008	2.0
62.39975	2.3
71.16676	4.9
76.91252	1.7
98.20518	2.0
129.45332	2.0
131.18494	1.8
146.16934	1.9
163.18509	1.8
168.98198	2.0
185.60419	2.0
203.08641	60.9
204.09012	2.2
205.10229	13.8
209.11830	2.8
215.08698	3.2
217.10225	38.1
219.08154	3.8
233.09743	100.0
234.10023	7.3
245.06143	1.9
247.07707	39.4
248.08072	3.6
249.09334	4.5
251.10861	3.5
261.09253	32.4
262.09576	2.0
277.08704	21.6
287.16711	2.1
305.08209	3.3
305.17688	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	305.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45519	0.3
59.01319	0.5
61.49510	0.3
68.23215	0.4
71.56300	0.5
71.58708	0.3
128.26430	0.4
215.08691	0.6
217.06685	0.9
219.08151	0.9
230.07359	5.9
230.09486	0.4
231.08153	6.0
232.05261	1.1
233.06036	1.1
241.06647	3.4
243.04509	0.8
243.08194	12.6
244.08504	1.3
245.06104	5.5
246.06561	0.5
257.06198	1.4
258.06903	66.2
259.07663	96.1
260.05194	0.6
260.07986	7.6
261.05603	10.0
262.06073	0.7
269.06113	12.1
270.06622	1.4
272.04681	0.5
285.05643	2.2
286.06424	4.9
287.07193	100.0
288.07541	8.2
305.04596	11.4
305.08185	71.3
305.11191	1.0
305.17551	0.9
306.05142	0.8
306.08511	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	305.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40543	0.6
52.40112	0.6
59.01267	3.8
60.31372	0.7
61.98718	0.8
70.62360	0.8
70.62709	2.0
71.01241	0.8
89.22481	0.6
93.03355	0.9
116.27985	0.6
121.02851	0.7
125.09611	0.9
135.08060	2.7
168.50258	0.7
197.06042	0.7
206.07382	2.4
217.06607	7.2
218.07277	2.0
219.08139	100.0
220.08473	6.3
221.06079	3.4
222.06764	1.8
233.06126	7.6
233.09631	3.1
234.06581	1.0
245.06192	1.1
246.06874	2.6
247.07570	1.2
249.05545	1.2
261.09271	0.9
277.08728	19.7
278.09290	1.2
287.16550	1.9
305.05045	0.9
305.08231	4.2
305.17673	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	304.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02861	38.9
59.01269	0.4
59.03207	0.4
70.02870	0.3
70.35049	0.4
70.35432	0.3
98.19822	0.3
113.66387	0.2
148.80023	0.2
155.33850	0.2
168.13889	100.0
169.14246	4.9
171.40959	0.2
212.12912	3.5
224.02347	0.2
243.12552	0.2
244.64909	0.2
273.69965	0.2
304.19278	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	305.0462
Annotation	Pongaglabrone
Peak:m/z	Relative Intensity
59.01178	1.3
62.11553	0.4
71.01190	0.5
71.58588	0.4
71.59019	0.5
78.91958	0.4
105.52383	0.3
128.04921	0.4
133.02821	0.6
135.22180	0.4
147.84740	0.4
159.67401	0.4
166.68581	0.4
166.82025	0.4
200.24567	0.4
204.05696	1.7
205.06474	1.3
205.90080	0.4
217.06564	1.1
219.08195	3.1
221.06090	0.5
230.07307	0.4
232.05347	5.5
233.06062	3.7
234.06543	0.4
240.18230	0.5
243.08070	0.9
245.06120	2.2
246.06790	2.4
251.51967	0.4
258.06897	5.6
259.07712	7.1
260.04861	6.5
260.07745	0.7
261.05612	55.9
262.05984	4.7
269.06070	1.1
270.06500	0.4
277.08762	1.1
287.07202	7.6
287.16638	0.6
288.07449	0.6
289.05115	4.9
290.05551	1.2
305.04684	100.0
305.08224	15.9
305.17758	1.6
306.04974	7.9
306.08417	1.7
312.34592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07658	0.3
60.99183	0.4
63.26487	0.3
71.08522	0.4
71.08843	0.5
93.03346	1.7
189.07021	0.5
194.07333	1.8
197.06033	1.0
198.06795	0.6
201.07065	0.7
202.41888	0.3
203.08636	3.6
204.05940	0.4
204.09012	0.4
205.10236	1.0
205.43393	0.3
206.07410	1.7
210.81531	0.3
215.08826	0.4
217.06580	4.8
217.10034	1.8
218.07372	4.8
219.08101	2.0
221.06091	10.5
222.06694	1.1
223.13396	0.6
228.05840	1.3
229.06604	2.6
230.07352	4.3
231.08121	7.6
232.05287	1.1
232.08844	2.3
233.06201	2.5
233.09734	6.4
234.10014	0.6
243.08217	0.5
244.05305	0.3
245.06113	18.5
246.06718	2.9
247.07678	16.5
248.07986	1.9
250.06247	0.7
261.05615	7.4
261.09213	2.2
262.05942	0.7
273.05640	15.3
274.06381	6.8
275.07190	2.2
277.08765	2.0
289.05261	0.7
291.06717	0.8
305.08246	100.0
306.05142	0.6
306.08582	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	303.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	0.7
63.31115	0.3
70.91903	0.8
90.51510	0.3
95.01254	0.3
101.52610	0.2
167.05037	0.4
189.07080	0.7
203.08722	1.8
204.05823	0.8
205.06537	1.1
213.07140	0.5
214.79361	0.3
217.06662	1.3
218.07272	0.5
219.08170	4.8
220.08562	0.5
222.37524	0.3
228.05901	0.3
229.06604	3.8
230.07405	1.5
231.08134	4.5
232.05367	0.8
232.08496	0.4
233.06123	0.6
235.04105	0.8
241.06610	2.9
246.06886	0.9
247.07690	5.0
248.08000	0.5
256.05331	3.0
257.06134	18.1
258.06641	1.6
259.07687	6.0
260.08044	0.5
269.05988	0.3
274.06268	0.6
275.07208	22.0
276.07504	1.8
284.04974	2.3
285.05640	77.5
286.06207	14.6
287.06805	0.6
302.05957	0.6
303.06693	100.0
304.07016	9.4
317.04529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1033
Annotation	8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
58.02685	1.5
58.03011	1.8
59.01097	1.0
59.01409	1.7
61.98834	0.5
66.91125	0.5
70.90604	0.5
71.56285	0.7
71.56673	0.8
110.86564	0.5
147.71170	0.5
147.76924	0.5
168.13892	9.2
182.38623	0.7
203.38068	0.5
212.13078	0.6
220.99623	0.9
243.08208	1.3
287.07178	3.0
288.07965	100.0
289.08328	8.2
303.06842	2.4
303.10281	26.4
303.15887	1.2
303.23285	2.4
304.10559	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	301.0877
Annotation	Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
Peak:m/z	Relative Intensity
53.22523	0.4
59.01253	0.6
61.98716	0.6
62.57298	0.4
65.86157	0.3
71.30842	0.7
88.81726	0.5
112.94445	0.3
126.46509	0.4
145.02893	0.7
146.03304	0.6
147.03473	0.5
185.53462	0.3
195.84827	0.4
230.07367	3.2
233.06114	1.3
234.06818	0.8
241.06490	0.6
242.07445	0.5
257.06155	0.8
258.06897	100.0
259.07236	8.4
259.09735	0.4
261.05566	1.3
269.06213	1.1
273.05576	1.1
285.05652	3.1
286.06412	90.0
287.06772	8.6
301.08755	86.2
301.16724	2.4
302.06042	0.4
302.09073	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	301.1667
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.96581	0.1
60.97392	0.8
70.16296	0.6
74.98978	0.5
93.00011	0.2
98.19837	0.2
118.25108	0.1
118.96185	0.3
124.16631	0.1
134.99319	3.7
135.99312	0.2
136.97246	1.6
141.07399	0.2
142.94437	0.1
143.05222	0.5
145.02873	0.2
146.03174	0.2
147.03479	0.2
150.98787	0.4
159.08400	1.3
161.06335	5.0
187.04379	0.2
201.04112	0.3
203.05638	2.4
205.03548	0.7
215.05678	0.9
215.07462	0.2
217.07204	72.0
218.07338	4.7
235.08246	0.4
261.06259	0.6
283.11868	0.4
283.15546	0.2
285.13535	30.3
286.13742	2.9
301.16663	100.0
302.16855	9.5
308.48712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0668
Annotation	Tetrangulol
Peak:m/z	Relative Intensity
58.02850	0.5
58.84813	0.2
59.01240	0.7
61.98708	0.3
68.32600	0.2
69.67371	1.3
81.81531	0.2
168.13898	1.7
182.03725	1.6
210.03181	0.8
211.89246	0.2
217.06535	1.5
230.07425	0.3
231.08154	0.3
232.05301	0.6
233.06006	0.6
241.06447	0.5
245.06123	0.3
247.07654	0.7
256.05255	0.5
257.06140	1.3
258.06885	4.9
259.07678	4.8
260.04831	0.6
260.07880	0.3
261.05566	2.5
273.05515	0.3
274.06332	2.7
275.07101	1.9
284.04816	1.1
285.05606	2.3
286.06274	0.5
301.05115	0.8
302.05820	1.2
303.06668	100.0
303.23157	0.9
304.07007	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	303.067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39053	0.2
59.01278	0.3
59.47046	0.1
62.20936	0.1
69.95854	0.4
69.96261	0.6
133.14597	0.2
167.05043	0.2
195.08179	0.2
201.07173	0.3
219.04646	0.3
219.08182	1.2
220.05002	0.2
228.05841	0.3
229.06573	1.9
230.07265	0.4
232.05305	2.5
233.06093	3.6
234.06323	0.2
235.04111	0.2
241.06598	0.5
245.06033	1.1
246.06865	0.7
247.07671	2.5
248.07997	0.3
256.05313	1.8
257.06134	3.7
258.06815	0.8
259.07672	0.5
260.04779	1.3
261.05417	0.8
269.06195	0.5
273.05661	0.7
274.06396	1.3
275.07202	4.0
284.04868	2.3
285.05643	30.3
286.06216	5.9
287.07001	0.3
301.05161	2.5
302.05890	4.7
303.06689	100.0
304.07031	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	303.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50996	0.2
59.01254	0.4
71.51423	0.3
78.80299	0.2
84.82970	0.2
85.81454	0.2
93.03351	0.8
167.37549	0.2
182.03688	1.1
203.08807	0.2
210.03206	2.6
217.06551	0.6
218.07098	0.2
219.08121	1.2
229.06386	0.2
230.07404	0.4
231.08180	0.6
232.05186	0.3
233.06056	1.5
241.06578	0.6
247.07651	1.1
248.18596	0.2
256.05304	0.6
257.06091	1.2
258.06891	3.0
259.07678	6.1
260.07990	0.5
261.05630	1.1
265.46439	0.2
273.05548	0.4
274.06396	1.8
275.07141	5.0
276.07544	0.5
284.04861	0.6
285.05634	4.3
286.06137	0.8
301.05124	0.7
302.05902	1.2
303.06665	100.0
304.07028	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	297.1198
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
58.00486	1.3
59.01266	100.0
71.01273	35.7
71.57270	1.0
72.99204	2.7
73.02844	4.4
74.18652	0.7
75.00769	1.1
83.01289	2.4
85.02846	10.3
87.00800	2.6
89.02338	46.9
95.01294	2.6
99.00804	1.9
101.02345	25.9
101.03014	1.3
102.02718	0.8
113.02360	17.2
117.03407	0.7
119.03422	20.0
125.02385	1.0
125.07380	0.6
131.03418	1.5
135.06557	14.1
143.03426	4.5
143.12086	0.6
145.02885	1.7
147.15132	0.6
149.04510	1.9
159.02922	1.3
161.04514	16.5
179.05576	18.9
179.07158	1.0
189.33235	0.7
237.09837	17.6
238.10136	0.8
297.11975	40.9
297.14914	2.3
297.24515	4.8
297.27811	1.0
298.12357	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00247	0.4
53.89746	0.4
55.66304	0.4
59.01262	3.0
60.01653	0.4
67.42137	0.5
68.01296	2.6
69.77127	1.6
69.77530	0.9
70.94885	0.4
71.01271	0.8
80.75901	0.5
91.49380	0.4
96.04457	0.5
110.06012	0.7
117.03399	1.8
118.03714	1.3
119.04948	0.7
121.02955	0.5
122.02447	0.7
123.03187	7.4
124.03992	0.6
124.07626	0.7
136.07605	0.7
137.04784	1.0
138.05542	100.0
139.05884	3.1
145.02887	9.5
146.03224	8.2
152.07130	1.6
166.08688	1.0
167.05859	2.3
168.06523	0.4
180.06641	5.3
288.44641	0.5
300.11108	15.4
300.16910	34.7
301.11212	1.0
301.17194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.3
62.18764	0.3
68.01294	0.8
71.00360	0.4
71.01272	0.9
71.35561	0.4
71.35899	0.5
77.85875	0.3
85.02823	0.5
89.02348	0.8
101.02348	0.3
108.08110	0.5
117.03389	2.0
118.03701	1.3
119.04951	0.7
120.05286	0.4
121.02840	0.6
122.05964	0.4
123.03176	12.4
124.07561	0.3
137.04742	1.0
138.05537	100.0
139.05919	2.3
145.02892	8.0
146.03226	7.7
152.07126	0.9
165.04277	0.4
167.05814	0.4
180.06587	1.8
299.16513	0.4
300.11118	6.8
300.16901	17.4
301.11127	0.4
301.17139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.1
59.01267	3.9
62.37892	0.5
66.01567	0.6
71.01289	0.6
71.14511	1.7
80.40418	0.6
125.09662	0.7
135.91187	0.6
137.09637	0.8
139.11092	0.7
141.12794	0.7
155.14337	3.3
171.10229	29.3
172.10544	1.8
183.10228	2.3
195.13872	1.1
251.23822	1.5
259.20874	0.7
277.21793	34.1
278.22095	2.8
295.22845	100.0
296.23209	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	295.2284
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03320	0.7
59.01266	2.8
71.01277	0.3
71.51217	0.5
80.54829	0.2
83.04904	0.4
95.94589	0.2
97.06522	0.3
99.08038	0.3
113.09631	2.4
171.10199	0.8
177.12822	0.5
179.14348	1.2
181.12233	0.7
193.66945	0.3
195.13875	16.5
196.14175	0.8
227.32076	0.2
233.22777	0.4
250.05838	0.2
259.20715	0.3
277.21777	16.8
278.22125	1.0
289.55249	0.2
295.22836	100.0
296.23187	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	295.2285
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
56.60869	1.1
59.01268	15.8
71.01260	2.7
71.57291	1.5
73.02817	1.6
84.52862	1.2
96.95897	2.8
98.95486	9.2
98.96287	2.0
101.02332	1.6
113.02318	1.4
138.34026	1.2
141.12781	8.7
142.51521	1.2
154.90141	1.3
155.14294	4.1
238.69435	1.1
247.20714	1.3
249.22289	10.0
295.18005	8.3
295.22833	100.0
296.23053	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	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38834	0.8
55.84000	0.5
57.03340	5.4
59.01265	3.6
60.03933	0.6
62.89142	0.6
71.07992	1.4
84.03937	0.6
97.06503	1.3
105.19498	0.7
109.06480	1.0
113.09632	17.4
121.10121	4.5
137.16861	0.7
139.11212	2.6
167.10732	2.9
170.18701	0.6
171.10258	7.8
177.12845	1.3
179.10736	1.8
183.10313	0.7
185.11803	0.7
195.13863	3.3
249.22214	1.4
275.20175	9.6
276.20505	1.3
293.21298	100.0
293.62729	0.7
294.21570	8.8
305.48831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.9
59.01245	0.4
64.72154	0.4
68.42313	0.4
71.16698	0.8
99.57722	0.4
123.08089	0.6
125.09642	3.7
139.11166	0.5
141.12778	1.1
149.09663	2.1
185.11816	8.5
186.12184	0.6
197.11815	1.7
209.11879	0.4
211.13412	0.4
211.81726	0.4
249.22321	0.7
275.20059	0.9
293.21301	100.0
294.21664	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
57.24382	0.6
59.01261	4.5
60.07650	0.6
71.01267	2.1
83.01237	0.8
83.04915	1.0
85.02814	0.8
89.02339	2.1
96.95893	1.3
98.20538	2.2
113.02376	0.7
113.09612	1.0
121.10133	0.9
137.09702	0.6
139.11192	2.2
153.12761	0.8
161.04480	1.8
171.10190	2.5
185.11736	0.9
191.17940	0.7
192.11531	0.7
193.15840	1.1
195.13741	0.8
199.13354	5.0
205.12332	0.7
211.13441	2.1
220.14743	2.7
221.15517	4.6
223.13306	0.9
229.40816	1.1
235.16658	0.7
236.10583	3.6
247.20657	0.8
275.20187	4.9
276.20651	0.7
293.08792	2.7
293.21283	100.0
294.21664	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	295.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
68.64609	0.9
69.56860	3.5
69.57287	4.5
71.01264	2.3
72.99189	1.0
83.89043	1.1
85.02850	1.6
96.95910	2.1
98.19772	1.9
99.14071	1.1
101.02330	2.6
161.04466	1.5
161.07118	3.4
163.03955	2.0
166.75961	1.0
235.11914	3.7
295.13010	1.2
295.22800	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19745	0.6
57.24125	0.5
59.01263	4.7
60.33059	0.6
70.47092	2.3
72.71921	0.6
83.04871	0.6
88.20406	0.6
99.08076	0.9
106.16541	0.7
113.09637	2.5
177.12785	1.0
179.14325	0.9
183.13905	3.4
195.13895	25.4
196.14294	1.3
222.80745	0.6
277.21796	22.6
278.22079	2.5
295.22842	100.0
296.23190	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	295.2284
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.03728	0.3
54.00768	0.4
59.01260	1.1
59.03790	0.3
68.05710	0.3
69.03342	0.5
71.08298	0.9
83.27317	0.4
90.45786	0.3
99.08011	0.5
117.68510	0.3
125.09632	1.1
141.12761	0.8
152.66614	0.3
153.85199	0.3
171.10220	32.5
172.10567	1.5
272.56833	0.3
277.21771	40.2
278.22168	4.0
295.22839	100.0
296.19754	0.7
296.23154	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90500	0.5
57.03339	0.8
59.01270	5.4
60.30149	0.5
61.98715	1.0
64.86533	0.5
69.03349	1.1
69.39635	4.2
71.01279	1.9
71.04893	0.9
73.02842	0.6
78.95790	0.8
83.04915	0.8
89.02336	1.7
94.51890	0.4
117.69335	0.5
123.08045	0.9
131.03357	0.7
136.08876	0.6
139.11174	0.9
143.03450	0.5
151.11230	1.6
153.12802	0.6
161.04504	1.0
167.93616	0.5
169.12357	2.4
177.12773	0.6
192.11604	0.6
193.15967	0.7
197.11815	35.2
198.12172	2.1
220.14664	1.9
221.15469	3.9
231.21220	1.6
236.10609	2.9
249.18675	0.7
249.22330	1.0
275.20224	23.3
276.20523	2.2
293.21292	100.0
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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90500	0.5
57.03339	0.8
59.01270	5.4
60.30149	0.5
61.98715	1.0
64.86533	0.5
69.03349	1.1
69.39635	4.2
71.01279	1.9
71.04893	0.9
73.02842	0.6
78.95790	0.8
83.04915	0.8
89.02336	1.7
94.51890	0.4
117.69335	0.5
123.08045	0.9
131.03357	0.7
136.08876	0.6
139.11174	0.9
143.03450	0.5
151.11230	1.6
153.12802	0.6
161.04504	1.0
167.93616	0.5
169.12357	2.4
177.12773	0.6
192.11604	0.6
193.15967	0.7
197.11815	35.2
198.12172	2.1
220.14664	1.9
221.15469	3.9
231.21220	1.6
236.10609	2.9
249.18675	0.7
249.22330	1.0
275.20224	23.3
276.20523	2.2
293.21292	100.0
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	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.5
64.86339	1.0
67.39785	1.0
68.03474	1.0
69.74525	1.1
70.60464	3.5
98.19927	1.1
107.90821	0.9
121.09284	2.3
121.10143	37.9
122.10454	1.1
125.09623	1.4
147.07004	1.1
171.10223	72.5
172.10555	2.0
177.16399	1.2
183.13885	2.3
185.11824	4.4
187.15298	1.1
197.11780	1.5
203.59613	1.2
215.28003	1.1
231.21138	2.9
275.20212	100.0
276.20569	5.8
293.21301	66.0
294.21548	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.5
70.92537	0.4
70.92887	1.2
71.04925	0.5
79.83709	0.4
97.66532	0.4
98.33317	0.4
111.08117	0.6
118.46582	0.4
148.78801	0.4
175.04422	0.5
179.14418	1.3
181.12320	0.5
195.13882	12.0
196.14464	0.9
203.56844	0.5
211.13371	1.2
223.13409	9.8
224.13834	0.7
228.13670	1.4
239.12784	0.5
256.13168	5.4
275.20227	7.2
293.21298	100.0
294.21628	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
59.01268	3.0
60.55301	0.2
66.49892	0.2
69.03329	0.4
70.37025	0.2
71.01276	1.1
71.04914	0.3
71.25987	0.4
78.95794	0.6
85.06484	0.2
89.02341	0.8
95.04951	0.2
97.06508	0.2
111.08070	0.8
113.09639	1.2
121.10101	0.3
131.03481	0.3
136.08858	0.7
147.02914	0.2
161.04419	0.3
167.10689	0.5
177.12839	0.5
179.10730	0.3
179.14397	1.2
179.66222	0.2
181.12288	0.4
192.11560	0.7
193.15929	1.5
195.13884	12.3
196.14250	1.0
200.91678	0.2
202.59132	0.2
205.12350	1.2
205.15965	0.8
211.13376	0.8
220.14648	1.0
221.15454	2.0
223.13409	9.3
224.13899	0.8
228.13660	1.6
231.21248	0.3
235.17076	0.3
236.10498	1.6
239.12880	0.6
249.18645	0.7
256.13187	3.7
265.21805	0.7
275.20221	7.3
276.20691	0.6
293.08850	0.9
293.21292	100.0
294.18225	0.4
294.21622	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2129
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.90291	0.2
57.03336	2.3
59.01260	3.3
61.98712	0.3
69.03331	0.4
69.32556	0.6
69.32980	1.4
71.01266	0.9
71.04926	0.2
78.95773	1.1
79.01357	0.2
79.95624	1.0
80.02572	0.2
89.02328	0.5
90.79626	0.2
93.29911	0.2
93.45097	0.2
95.04935	0.2
97.06471	0.8
104.32428	0.2
113.09630	5.8
114.09953	0.2
123.08071	0.8
125.09646	3.0
127.07623	0.2
139.11198	0.8
141.12787	0.9
149.09657	1.3
151.11285	0.2
152.91701	0.2
156.13896	1.0
157.14198	0.4
161.04546	0.2
165.54234	0.2
167.10753	0.6
177.12785	0.3
179.10725	0.5
185.11790	7.3
186.12166	0.3
189.74075	0.2
192.11537	0.3
195.13863	1.1
197.11784	1.9
220.14644	1.5
221.15468	2.5
223.13647	0.3
233.10399	0.6
236.10532	2.1
249.15302	0.9
249.22330	1.0
275.20157	0.8
293.21277	100.0
294.18240	0.5
294.21603	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	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.8
59.01266	5.1
61.98705	0.8
69.23809	0.5
69.48122	2.9
71.01259	2.5
73.02847	0.5
78.95795	1.6
85.02850	0.7
89.02328	1.9
89.10827	0.5
95.03671	0.4
96.95918	0.8
101.02350	0.4
111.08045	0.4
113.02375	0.6
113.09629	0.7
125.02348	0.4
131.03366	0.6
136.08826	1.1
151.33826	0.4
152.91812	0.4
161.04485	0.9
164.13838	0.4
167.10686	0.7
174.07520	0.4
177.12767	0.5
179.14357	1.4
192.11601	1.1
193.15973	1.8
195.13885	11.3
196.14340	1.4
205.12260	1.5
205.15933	0.8
211.13478	0.7
220.14743	2.6
221.15479	5.5
223.13396	8.3
223.15392	0.7
224.13887	0.8
228.13721	1.0
231.21245	0.4
236.10524	4.2
239.13043	0.5
249.18745	0.6
256.13184	3.6
265.21713	0.9
275.20178	6.1
293.03946	1.0
293.09094	2.1
293.21283	100.0
294.21628	8.7
313.12292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39642	0.2
59.01242	0.3
70.35542	0.3
70.35894	0.8
71.01269	7.9
83.20190	0.3
93.09566	0.2
107.16780	0.2
127.07559	1.0
148.05249	0.8
151.07555	0.4
164.08319	1.2
177.09178	5.3
178.09492	0.4
192.11539	6.3
193.12051	0.4
205.12328	6.1
206.12497	0.3
207.13908	1.6
217.08701	0.5
218.09492	1.6
220.14691	47.9
221.15465	100.0
222.15819	6.5
222.17978	0.4
235.13377	1.2
236.10555	71.1
237.10934	4.4
248.77379	0.2
270.58310	0.3
293.14346	0.4
293.17673	10.4
293.21039	0.8
294.18045	0.8
314.44598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47458	0.5
57.03322	0.9
57.44911	0.6
59.01262	4.4
61.98693	0.8
67.89421	0.5
70.16451	2.1
70.16783	0.8
71.01267	2.0
79.86304	0.5
85.02834	0.9
89.02346	1.6
101.02357	0.7
111.08080	0.8
113.09665	1.0
120.96529	0.6
126.59579	0.6
161.04521	1.1
179.14384	1.1
195.13889	10.9
196.14417	1.0
205.16042	0.5
209.37811	0.7
211.13458	0.8
217.06580	0.9
219.08168	1.5
220.14621	0.6
221.15514	1.0
223.13382	8.0
224.13857	0.7
228.13689	1.1
233.06099	2.1
234.06776	1.4
235.07439	0.7
239.12808	0.6
249.09169	0.7
251.07254	1.0
256.13196	2.5
261.05594	6.1
262.05923	0.8
265.21802	0.7
275.20184	5.7
279.06677	1.2
293.08395	9.2
293.21286	100.0
294.08673	0.7
294.21609	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01268	4.1
61.98689	0.4
63.73267	0.4
65.69994	0.5
69.03342	0.5
69.87012	2.7
71.01269	1.8
73.02834	0.4
78.67038	0.4
78.95810	1.1
83.04927	0.4
85.50320	0.4
89.02319	1.1
96.95958	0.7
101.89161	0.4
102.85583	0.4
109.17863	0.4
111.08086	1.1
113.02388	0.4
127.07518	0.4
128.70305	0.4
152.97211	0.4
161.04477	0.7
167.10648	0.4
177.12772	0.5
179.10704	0.5
179.14333	1.5
195.13887	11.7
196.07491	0.4
196.14467	0.7
205.12379	0.6
205.15941	0.8
221.15479	0.9
223.13422	8.1
224.13907	0.8
228.13701	1.2
231.21497	0.4
236.10507	0.8
256.13205	3.1
265.21848	0.7
275.20239	7.5
293.08917	1.7
293.21295	100.0
294.21625	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	291.0671
Annotation	(Z,E,E,E,E)-14-(5-Oxo-2(5H)-furanylidene)-2,8,10,12-tetradecatetraene-4,6-diynoic acid
Peak:m/z	Relative Intensity
52.46859	0.2
57.14373	0.2
58.43921	0.1
59.89320	0.2
69.31557	1.7
93.03358	2.5
95.40463	0.2
96.99808	0.1
122.25685	0.2
136.85641	0.2
143.05122	0.2
165.07059	0.9
165.08238	0.2
179.10826	0.2
191.08626	1.5
193.06531	1.0
215.08684	0.4
217.06645	0.2
219.08147	78.6
220.08485	6.5
223.76468	0.2
234.66832	0.2
247.07658	4.5
248.08064	0.5
263.07175	100.0
264.07520	8.9
291.06699	10.6
291.19653	0.2
292.07050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22058	0.4
59.01256	1.5
61.98713	0.3
63.16182	0.3
65.84438	0.3
93.03336	3.1
94.96022	0.4
165.07018	0.6
191.08658	1.3
193.06590	1.0
219.08145	75.4
220.08476	6.6
234.06886	0.5
235.07713	3.8
246.06851	0.7
247.07661	5.8
248.08041	0.7
263.07172	100.0
264.07504	8.6
291.06696	18.7
291.12286	1.2
291.19785	1.3
292.07098	1.6
295.28586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
71.29716	1.0
100.55711	0.4
109.90373	0.5
121.02793	0.4
123.20322	0.6
165.12794	0.6
171.08945	0.5
207.91370	0.5
219.08153	100.0
220.08495	7.7
247.07610	2.5
247.20497	0.6
263.07166	1.5
291.19745	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	291.0671
Annotation	(Z,E,E,E,E)-14-(5-Oxo-2(5H)-furanylidene)-2,8,10,12-tetradecatetraene-4,6-diynoic acid
Peak:m/z	Relative Intensity
50.50851	0.2
59.01255	0.4
61.98736	0.2
70.45667	0.6
70.46065	0.4
77.32415	0.3
86.11391	0.3
93.03354	14.0
94.03728	0.5
96.95912	0.4
113.59606	0.3
115.05437	0.6
118.95188	0.3
125.03828	1.3
134.30173	0.3
135.04414	0.3
138.80466	0.3
143.04979	1.6
159.04453	0.3
169.02890	1.1
187.03972	4.9
188.04359	0.4
197.02351	1.4
198.03203	18.3
199.03600	0.8
215.03491	42.4
216.03806	2.5
219.08142	11.0
219.10298	0.5
220.08452	1.0
238.05150	0.4
241.01466	1.3
245.06111	0.9
246.06879	0.9
247.07593	1.1
263.07098	0.5
289.05420	0.3
290.05963	0.6
291.06683	100.0
292.07019	8.9
296.14389	0.3
296.81693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17526	0.9
55.41503	0.7
55.82783	0.7
69.29709	8.5
105.66306	0.7
114.85892	0.7
125.05931	0.9
148.08769	1.2
150.10355	1.1
164.10258	0.8
165.11380	1.3
165.12794	23.9
176.12029	0.9
177.62128	0.8
191.14363	1.0
202.27119	0.9
225.65631	0.8
247.20699	12.3
248.21204	0.9
273.18683	7.7
291.19720	100.0
292.20093	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	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03329	0.5
59.01252	3.4
62.10604	0.5
70.92658	1.2
71.04908	29.6
72.05248	0.4
75.63078	0.4
82.74097	0.4
83.04920	0.5
87.14314	0.4
94.48004	0.4
97.06490	9.6
121.02879	0.9
121.06607	0.4
123.08064	0.5
133.06499	0.9
139.11058	0.4
146.11435	0.5
150.76959	0.4
163.14874	0.5
165.12802	1.9
175.14871	0.7
181.12291	1.4
193.12164	0.8
205.12549	0.5
207.13884	2.6
219.13829	3.5
222.11880	0.4
235.17084	4.8
247.20656	3.2
273.18683	2.0
289.18051	0.5
291.19724	100.0
292.20062	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	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
67.84254	0.9
70.13473	0.8
70.80356	2.3
93.06977	1.3
97.06495	1.9
121.10156	14.7
123.12947	1.0
125.09614	7.5
134.61543	0.8
141.12709	0.9
147.08072	1.0
153.54486	1.2
165.12798	1.3
170.13847	1.0
185.11794	15.1
186.12094	0.9
197.11746	4.1
209.11856	1.6
211.13390	2.5
223.13342	1.0
230.13286	0.8
247.20660	0.9
273.18698	1.3
291.19727	100.0
292.20074	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	291.1972
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.38749	0.4
56.98055	0.3
59.01244	1.1
64.47915	0.4
64.74517	0.3
68.61202	0.3
70.96843	1.0
71.20556	0.3
73.02833	50.3
74.03173	0.8
77.88770	0.3
87.96499	0.3
121.02866	0.4
121.60011	0.4
125.09558	0.5
125.88266	0.3
165.12784	0.9
247.20961	0.5
265.11661	0.3
291.19714	100.0
292.20068	8.7
295.41821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0826
Annotation	Abyssinone I
Peak:m/z	Relative Intensity
53.40784	1.0
56.24939	0.9
56.52089	0.9
58.69275	0.9
59.01257	7.0
61.98691	1.4
64.52874	0.9
69.48288	2.8
69.48717	5.2
71.01280	4.6
72.99177	0.9
85.02808	1.5
89.02327	4.4
90.32289	0.9
90.90445	0.9
98.19757	1.0
101.02314	1.5
112.71628	1.0
113.02353	1.5
137.02251	1.2
157.20883	1.0
167.05003	1.3
189.07042	4.5
191.05019	2.2
198.03203	2.5
213.05664	1.5
217.06592	13.9
219.08199	1.9
221.15540	1.5
234.06873	34.9
235.07390	3.8
237.05583	3.0
247.07487	1.1
249.09236	100.0
250.09598	7.4
258.06845	2.7
267.74707	0.9
274.06470	2.3
275.07190	25.9
276.07510	1.5
293.01395	1.9
293.08270	55.4
293.21259	2.5
294.08563	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	293.0885
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.08802	1.8
58.00477	5.3
59.01265	82.9
61.98689	3.2
69.03339	10.4
71.01270	99.0
72.99195	7.8
73.02831	26.5
79.95621	2.8
81.03348	3.8
83.01276	6.7
85.02837	12.8
87.00786	2.8
89.02337	100.0
95.01278	6.1
96.95904	3.3
97.02859	16.5
99.00780	28.1
99.04390	3.3
101.02353	34.3
112.26028	2.3
113.02353	6.4
115.03931	11.0
125.02367	54.2
131.03412	8.3
134.03683	2.2
143.03441	7.4
149.04478	8.9
152.87173	2.0
158.58470	2.1
161.04497	3.4
178.02724	1.8
191.05653	11.7
198.03207	2.5
213.05548	4.4
221.15446	5.1
222.06880	3.5
227.25671	2.0
233.06641	19.3
234.06828	5.9
236.10690	3.3
236.13037	2.1
237.05585	33.4
238.06009	5.0
249.85258	2.4
293.08340	69.8
293.13950	4.1
293.21167	4.3
294.08511	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	293.1042
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
51.98872	0.9
57.03330	4.9
59.01268	5.8
60.99205	1.9
61.10101	1.0
61.98713	1.2
67.01774	1.3
69.03341	5.4
70.91873	2.5
71.01263	2.6
71.04887	1.3
73.02835	1.4
79.05430	4.8
80.02576	1.5
81.03341	2.3
83.01272	1.5
83.04912	3.8
85.02845	4.5
93.03334	1.9
93.06977	1.8
94.04134	1.8
95.01298	1.5
95.04926	14.4
96.95945	1.6
97.02856	16.7
97.06494	3.7
99.04409	2.7
105.06966	1.7
107.04932	9.4
108.02069	2.1
109.02868	15.5
109.06504	11.9
111.04424	21.7
111.08066	4.8
113.02354	1.7
119.08611	1.5
120.50307	1.1
121.06534	10.6
122.03662	68.7
123.04415	3.9
123.08051	1.8
124.04324	2.3
124.05225	38.5
124.95281	1.1
125.02361	1.5
125.06023	8.6
125.09639	1.7
128.56105	1.2
133.06506	2.3
134.03680	3.0
135.04459	13.7
135.08075	3.1
136.05251	8.0
137.06013	34.4
137.09615	1.4
138.03120	1.7
138.06801	23.3
139.07581	100.0
140.07915	3.0
144.05792	1.6
145.02858	1.4
145.06563	3.0
145.10165	3.5
147.08067	3.4
148.05219	2.3
149.06004	3.3
150.06842	1.2
153.05527	1.5
157.06526	2.3
161.09601	1.8
162.06693	1.5
162.13760	1.3
163.07571	5.2
163.11240	8.1
169.10214	1.2
171.08118	13.7
172.08858	2.1
175.07593	3.6
177.12779	4.3
185.09711	3.9
187.11259	80.1
188.11644	3.1
189.09163	6.8
190.09966	14.0
203.10765	4.3
205.12328	49.2
206.12685	2.9
231.10294	15.6
232.10455	1.5
249.11372	39.3
250.11723	2.5
293.10410	60.9
293.21167	2.3
294.10822	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	293.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	4.4
59.01266	96.3
66.79579	2.3
71.01271	59.3
71.23827	5.4
71.39005	2.2
72.99194	4.8
85.02834	10.7
85.06477	2.8
89.02335	84.0
95.01285	5.3
98.20400	2.7
101.02348	46.0
113.02369	28.6
113.05977	5.0
119.03407	46.4
131.03401	4.5
131.07062	17.0
143.03488	2.5
145.07938	2.2
146.72694	2.3
149.04587	2.7
161.04451	3.9
179.05577	4.9
184.93025	2.7
202.93112	2.5
293.12476	100.0
293.21161	5.1
294.12924	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	293.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03334	0.7
58.00470	1.7
59.01265	32.6
70.58157	0.9
70.58495	1.2
71.01269	16.8
72.99184	1.2
73.02834	1.4
74.75523	0.5
75.33966	0.5
80.84708	0.5
83.01280	1.2
85.02838	4.2
85.06480	12.5
86.06771	0.6
87.00752	1.0
89.02338	16.5
95.01297	1.4
101.02349	11.1
113.02347	6.8
113.06001	2.7
115.07529	1.4
116.33956	0.5
119.03409	7.0
127.07558	1.6
129.05524	0.6
131.07065	56.6
132.07402	1.4
143.03375	0.8
149.04512	0.5
161.04507	0.8
166.06224	0.6
173.08150	1.7
179.05557	1.2
276.45801	0.5
293.12485	100.0
294.12814	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	291.0662
Annotation	2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
54.07920	0.2
54.17181	0.2
58.58403	0.2
59.01260	0.6
59.53861	0.2
61.98706	0.3
69.34988	0.2
93.03362	4.0
96.95925	0.7
98.19795	0.7
123.43197	0.2
143.04884	0.2
162.47542	0.2
167.04944	0.5
187.03940	0.7
191.05209	0.2
191.08644	0.4
198.03203	1.8
203.08681	0.2
204.05939	0.2
204.10281	0.3
205.06511	0.3
211.03972	3.8
212.04340	0.3
215.03510	4.8
217.06538	2.4
218.07292	1.2
219.08159	21.2
220.08539	1.7
228.91716	0.2
229.06535	0.4
230.07431	0.6
232.05449	0.5
233.05922	0.2
245.06114	3.9
246.06888	20.0
247.07655	21.6
248.07996	1.2
263.07211	1.8
279.07648	0.2
290.05750	0.3
291.06696	100.0
292.07050	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	289.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.2
69.42534	1.3
103.07359	0.2
152.59285	0.2
162.11987	0.2
184.26277	0.2
189.07056	2.2
190.07510	0.2
217.06587	43.3
218.06943	3.1
245.06114	39.7
246.06442	2.7
261.05801	0.2
289.05130	100.0
290.05481	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	289.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.2
69.44409	2.4
80.02569	0.6
81.03338	0.3
95.04904	0.4
98.19801	0.5
106.04153	0.7
108.20464	0.3
109.06496	3.9
111.08042	0.4
123.08034	0.8
137.09673	0.3
143.10692	0.6
145.06573	1.3
145.28981	0.3
148.02483	0.3
149.06017	0.3
149.09627	0.7
151.11180	0.6
163.11131	0.3
167.10725	0.7
181.12215	0.5
189.06996	0.5
191.14456	0.3
202.09944	0.3
212.04744	0.6
215.14497	0.3
217.06616	2.9
217.12401	0.7
218.06956	0.3
228.38818	0.3
245.06100	54.8
245.19107	2.9
246.06465	3.8
271.17175	0.4
287.16641	0.8
287.94305	0.3
289.05136	100.0
289.18143	35.0
290.05493	7.7
290.08969	0.6
290.18491	2.1
314.00708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0726
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.79348	0.7
57.03333	2.9
59.01267	3.6
70.92062	2.1
74.29592	0.7
80.74395	0.6
81.03333	3.6
83.01268	4.1
87.89449	0.7
93.03357	2.3
95.01296	1.1
95.04916	4.4
96.95895	0.7
97.02861	8.4
99.04422	0.9
108.02075	1.6
109.02860	35.7
110.83206	0.7
121.02869	4.1
122.03645	1.3
123.04440	25.2
125.02373	20.7
126.02607	0.8
133.02802	1.1
135.03027	0.8
135.04440	3.0
137.02361	12.7
138.03125	1.0
139.02960	0.7
139.03900	4.9
145.02943	1.8
146.03610	2.3
149.02371	6.5
150.03128	1.8
151.03944	13.1
157.06570	0.8
158.03670	1.2
159.04443	3.1
160.05225	1.5
161.06038	6.5
162.03166	2.7
163.03967	1.2
164.01071	4.1
165.01881	3.6
166.02481	1.1
167.03432	1.8
173.04634	0.9
173.06041	2.3
174.03152	0.9
175.03940	2.7
175.07603	3.2
177.05498	1.1
179.03461	9.7
185.06039	1.2
187.04007	5.5
188.04785	4.2
199.07758	1.1
201.28670	0.8
202.06302	3.9
203.07115	15.0
204.07405	0.9
205.05061	11.4
212.04765	1.1
217.08873	0.7
221.08226	5.5
227.07185	3.1
230.05937	0.9
231.03056	1.5
245.08217	29.0
245.10779	1.6
246.08578	1.8
247.06197	2.1
271.06146	0.9
289.07248	100.0
290.07626	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	289.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.9
60.93464	0.2
64.62972	0.2
71.58446	0.3
119.08566	0.5
150.38249	0.2
173.04408	0.3
189.07045	2.4
195.08073	0.3
199.04010	0.3
205.06512	0.9
217.06587	33.3
218.06950	1.7
225.84013	0.3
232.05328	0.8
233.06087	2.9
245.06117	26.3
246.06357	2.1
260.04938	0.6
261.05661	3.4
263.07169	0.5
289.05130	100.0
289.17807	1.2
290.05466	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	289.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.9
60.93464	0.2
64.62972	0.2
71.58446	0.3
119.08566	0.5
150.38249	0.2
173.04408	0.3
189.07045	2.4
195.08073	0.3
199.04010	0.3
205.06512	0.9
217.06587	33.3
218.06950	1.7
225.84013	0.3
232.05328	0.8
233.06087	2.9
245.06117	26.3
246.06357	2.1
260.04938	0.6
261.05661	3.4
263.07169	0.5
289.05130	100.0
289.17807	1.2
290.05466	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	289.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12605	0.4
59.01259	2.3
69.90886	1.7
69.91297	0.9
76.43307	0.4
85.02837	0.6
87.00814	0.4
88.48935	0.4
93.03332	0.5
109.06472	0.5
146.00334	0.4
161.88034	0.5
177.43571	0.4
182.42102	0.5
189.07085	1.7
217.06578	39.6
218.06929	1.9
243.08212	1.8
245.06102	41.5
245.19090	1.1
246.06458	3.0
261.05685	0.7
270.06946	3.2
271.07693	6.6
272.08069	0.6
289.05148	100.0
289.08621	9.8
289.18076	8.0
290.05453	7.9
290.08554	0.5
290.18317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0933
Annotation	2,3-Dimethoxy-4,6,7-trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.20709	0.2
51.50443	0.3
59.01282	0.9
61.98698	0.4
62.07631	0.3
71.01279	0.5
71.57528	0.5
72.04609	0.2
77.71828	0.2
81.03362	0.3
93.03374	0.3
109.02922	0.3
120.08160	0.4
125.02386	1.0
137.02335	0.5
148.07603	2.2
155.67853	0.3
161.02486	0.7
172.05293	0.6
173.04692	0.3
173.06049	0.7
175.04059	0.9
185.06125	0.9
186.06766	0.4
187.04070	0.6
188.04808	0.3
189.05513	1.6
197.06038	1.4
198.06888	0.5
199.04056	0.5
199.07655	3.4
199.79813	0.3
200.08318	1.4
203.07025	1.6
211.07634	0.5
212.04842	1.0
213.05702	0.9
215.03568	0.7
227.03549	2.7
227.07112	3.5
228.08029	0.8
229.05179	1.0
230.05769	0.6
231.08447	0.6
232.07550	0.8
237.05472	0.3
240.04282	7.8
241.04993	5.0
243.03148	1.0
243.06538	0.6
255.06656	16.9
256.07132	1.2
257.04529	0.5
257.08325	1.5
258.05325	1.4
258.07654	1.7
259.07721	9.7
260.08136	1.0
269.06271	1.2
272.03476	0.8
272.07089	0.9
286.06650	0.4
287.09512	100.0
288.09900	8.0
304.06168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1612
Annotation	Lycoramine
Peak:m/z	Relative Intensity
51.71232	0.2
51.71473	0.2
58.02840	0.3
59.01260	2.0
61.02742	0.2
61.98718	0.2
69.71084	1.5
72.55271	0.2
81.03360	0.8
92.04947	0.6
93.03352	1.1
105.25787	0.2
107.03664	0.2
108.02087	0.4
108.04459	3.0
109.02863	3.9
117.55154	0.2
121.02860	0.3
124.01564	0.4
132.35875	0.2
134.02403	32.8
135.03229	6.5
136.03975	33.9
137.02373	1.3
137.04315	1.0
141.30376	0.2
148.03973	0.6
149.04764	1.0
176.03487	4.9
176.06993	0.2
177.04221	0.5
181.03745	0.4
190.05069	0.6
204.06714	0.5
216.08920	0.3
217.06586	1.0
219.08107	0.3
245.06081	0.7
248.20140	0.2
260.08038	2.5
261.08267	0.2
270.14969	0.4
274.06320	0.3
278.03589	0.3
278.22025	0.2
288.07568	5.7
288.16113	100.0
289.04990	1.6
289.08124	0.6
289.16391	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	285.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49536	0.7
59.01267	100.0
60.01604	0.7
60.34905	0.7
71.56703	0.9
74.15336	0.7
83.04935	4.5
90.48706	0.8
96.77550	0.7
120.99580	1.0
147.54614	0.7
225.16109	11.7
226.16594	0.8
285.21069	1.1
285.27258	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01292	0.0
64.73508	0.0
65.27935	0.0
68.13398	0.1
68.99709	0.0
69.26616	0.1
69.27044	0.1
70.50905	0.0
93.02856	0.0
93.03385	0.1
108.02068	0.0
117.06984	0.0
138.04726	0.0
154.04225	0.0
169.06500	0.0
170.03644	0.0
189.07037	0.2
195.04674	0.0
203.08888	0.1
204.05832	0.4
205.06749	0.1
213.07213	0.1
215.08661	5.8
217.06609	0.9
218.07253	0.0
219.08191	0.5
220.05011	0.0
228.05913	0.0
229.06879	0.0
230.05019	0.0
230.07402	0.7
231.08185	1.4
232.05602	0.0
233.06055	0.0
235.07999	0.0
240.23537	0.0
241.06624	2.8
242.07184	0.1
243.08195	1.5
244.05351	0.1
245.05988	0.1
246.06465	0.0
257.06180	0.4
258.06903	0.9
259.07690	45.9
269.06143	2.8
270.06912	0.7
273.05328	0.0
285.05591	0.4
286.06433	2.1
286.24033	0.7
287.07178	100.0
301.05206	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58884	0.1
54.82219	0.1
66.43300	0.1
70.33933	0.2
70.34321	0.3
83.11701	0.1
98.20476	0.1
117.06996	0.1
124.59748	0.1
203.08704	0.2
221.11273	0.1
230.07362	0.7
231.08151	0.8
232.87575	0.1
241.06606	1.4
242.07065	0.2
243.04529	0.2
245.06136	0.4
257.06161	0.2
258.06879	2.7
259.07678	27.2
260.08017	2.5
269.06107	2.3
270.06610	0.3
285.05579	0.8
286.06390	0.6
287.07196	100.0
288.07526	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0721
Annotation	Irenolone
Peak:m/z	Relative Intensity
70.61163	0.2
70.61559	0.2
117.06979	0.1
147.88533	0.1
185.05168	0.1
189.07054	0.2
204.05759	0.4
215.08664	4.2
216.09047	0.3
217.06602	0.7
219.08203	0.3
230.07379	0.6
231.08199	1.4
241.06615	2.3
242.07124	0.4
243.08232	1.3
257.06168	0.4
258.06851	0.8
259.07684	43.8
260.07996	3.0
269.06113	2.9
270.06827	0.7
285.05679	0.5
286.06467	1.9
286.23981	0.5
287.07196	100.0
288.07513	7.5
288.10809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01264	1.9
67.80262	0.2
69.18187	0.2
70.83620	0.6
71.01280	0.6
85.02853	0.3
89.02315	0.3
96.95905	2.4
101.02314	0.3
122.74036	0.3
153.19547	0.3
235.16646	0.2
261.22220	0.4
279.17099	2.4
279.23346	100.0
280.23697	9.9
280.26797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2334
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.02970	0.4
58.55767	0.4
59.01251	0.5
59.06971	0.4
69.19979	0.5
70.51599	1.8
79.95036	0.5
82.93295	0.5
97.42581	0.5
121.34025	0.5
170.18448	0.5
174.16907	0.4
271.10831	0.6
279.23349	100.0
280.23691	7.7
300.58545	0.5
303.35062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	40.9
60.99184	10.5
71.01260	10.0
71.57008	2.4
73.02856	1.6
85.02869	4.8
88.98698	100.0
89.02339	6.0
101.02351	13.7
103.33480	1.9
109.92141	1.9
113.02348	6.3
117.37000	1.9
147.64677	1.9
161.04541	2.1
192.91852	2.1
221.06551	2.5
281.24796	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	277.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.4
71.01292	0.3
93.03371	0.5
94.67254	0.2
98.20502	0.4
110.24919	0.2
115.03873	0.3
115.05457	0.7
117.03374	0.2
121.02956	0.3
122.98660	0.2
124.86221	0.2
126.44068	0.2
169.06607	0.2
170.07300	1.0
171.04471	0.6
184.05118	0.3
189.07137	0.3
191.08588	0.3
193.06555	0.7
194.07358	3.7
194.92966	0.2
195.07805	0.2
197.06062	4.9
198.06810	2.9
199.07524	0.6
206.07350	6.5
207.07837	0.4
209.06085	0.8
217.06567	5.1
218.07341	6.1
219.08138	20.4
220.08499	1.3
221.06075	42.4
222.06581	4.5
223.06799	0.2
230.07446	1.4
231.08144	4.8
232.08702	1.0
233.05936	0.6
233.09720	25.1
234.06841	0.3
234.10057	1.9
235.07674	0.3
245.06110	0.5
247.07671	7.8
247.10257	0.4
248.08020	0.8
249.05557	0.9
249.09235	7.1
250.06433	3.0
250.09026	0.4
251.06960	0.2
258.06891	2.5
259.07675	11.6
260.08078	0.9
263.07092	0.4
265.08780	0.2
275.07184	2.2
276.07498	0.4
277.08734	100.0
277.21661	1.7
278.09079	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	277.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	3.2
60.80103	0.5
60.99180	0.9
62.74653	0.6
62.83321	0.5
69.84238	3.0
71.01267	1.2
78.95808	0.7
88.34261	0.5
108.19180	0.6
115.03959	1.0
121.02946	0.9
144.64815	0.7
152.91693	1.4
194.92767	0.9
206.07323	2.1
217.06564	6.7
218.07277	1.5
219.08145	100.0
220.08464	5.7
221.06085	4.0
222.06908	2.7
233.06100	8.2
233.09662	3.4
234.06891	1.4
247.07607	1.2
248.41710	0.5
249.05589	2.8
250.06172	0.7
277.05191	11.0
277.08746	60.1
277.21786	7.7
278.05664	1.3
278.09021	5.1
290.94199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1667
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
54.39421	0.4
59.01327	3.2
70.62788	0.8
70.63181	1.0
71.01326	0.4
97.49265	0.4
103.02183	0.6
121.03209	4.7
121.03936	0.4
146.99364	0.5
147.08406	5.1
149.01041	0.4
154.40512	0.4
165.00400	11.0
166.00394	0.6
180.99951	0.6
183.01654	0.5
189.04080	1.3
191.05612	11.3
205.07181	1.9
205.16028	0.7
231.08794	1.5
233.10349	100.0
234.10504	10.0
251.11522	1.0
259.15601	0.6
270.87311	0.4
277.16608	93.3
277.21259	17.7
278.16794	10.9
278.22089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98163	0.2
59.01255	1.8
63.56401	0.2
69.32806	0.2
69.33141	1.9
71.01268	0.3
98.20593	0.4
127.07529	0.5
128.76505	0.2
233.22813	0.5
259.20605	0.4
275.20157	0.6
277.21765	100.0
278.19031	0.4
278.22113	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	277.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.1
60.41792	0.1
66.44760	0.2
70.12302	0.4
70.12713	0.6
71.01259	0.4
83.04890	0.2
84.97340	0.2
96.99528	0.2
127.07606	0.2
162.26202	0.2
166.85883	0.2
180.72517	0.2
205.15976	0.2
233.22798	0.4
259.20706	0.4
275.20331	0.3
277.21762	100.0
278.19009	0.4
278.22107	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	277.2178
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01256	0.3
66.68538	0.3
70.18950	1.5
81.34716	0.3
93.96992	0.3
110.01058	0.3
140.03136	0.3
140.04222	0.3
155.72688	0.3
233.22711	0.9
254.28423	0.3
277.21786	100.0
278.22137	7.9
290.18753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1246
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03336	11.7
59.01266	2.4
61.98733	0.6
66.92329	0.5
67.52606	0.5
69.03341	1.4
69.46481	4.4
71.01271	1.1
72.07925	0.5
73.05170	0.5
73.11686	0.4
79.05423	0.6
81.03348	1.6
83.04909	3.1
85.02852	0.9
85.06482	0.8
87.00745	0.6
90.98473	0.8
93.03350	1.0
94.04115	0.9
95.01326	0.5
95.04906	3.1
96.95922	0.9
97.02855	7.1
97.06474	2.3
99.04400	0.9
104.08582	0.5
106.04091	0.5
107.04932	1.9
108.02094	0.5
109.02862	5.8
109.06499	7.5
111.04430	4.7
119.04977	0.6
119.08577	2.9
121.06513	6.0
122.03655	15.8
123.04480	3.1
123.08089	1.1
124.05225	19.2
125.06043	6.5
133.06537	0.7
135.04440	1.9
135.08029	1.1
136.05211	1.1
137.06015	13.5
137.09660	1.3
138.03157	0.5
139.07574	100.0
140.07944	3.4
142.02637	0.6
146.10687	0.7
147.08112	5.3
148.05257	1.2
149.06073	0.9
149.09631	0.8
153.05472	1.0
157.06531	0.6
159.08047	0.7
161.09673	1.0
162.06808	1.0
163.04051	0.4
163.07582	2.3
163.11209	1.4
165.09160	0.7
168.07867	28.0
169.08655	3.7
171.08144	2.3
172.08841	0.6
175.07628	0.7
175.11252	1.7
177.01802	0.5
177.09131	0.8
177.12793	2.0
180.07899	0.8
185.09776	0.9
187.09549	1.0
187.11249	20.1
188.11606	1.2
189.09180	1.8
190.09941	4.9
205.12320	40.6
206.12724	2.4
217.12369	2.1
231.10304	0.9
235.13388	5.2
249.11415	3.3
279.06335	0.6
279.09250	1.2
279.12454	13.7
279.23315	2.9
280.12769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93515	0.5
59.01271	3.4
61.98722	0.5
63.60633	0.4
69.85712	1.2
69.86124	1.8
116.92751	0.7
126.20359	0.4
133.02859	0.9
134.03654	2.7
143.42700	0.5
196.17580	0.4
200.75490	0.4
202.07843	1.1
203.08633	3.7
219.08154	4.7
230.07375	45.9
231.08141	65.2
232.08516	4.5
245.05904	0.8
247.07590	0.6
274.06412	0.8
275.07193	100.0
276.07498	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	277.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75779	0.3
52.53248	0.3
56.90810	0.3
57.55510	0.3
59.01263	0.4
66.76128	0.4
69.13161	0.3
71.20079	0.9
78.95791	35.5
84.04453	0.5
96.96859	100.0
121.02869	0.3
128.03455	0.7
144.43832	0.3
145.03320	0.5
148.04024	0.5
223.88239	0.4
277.21860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0863
Annotation	Caledonixanthone B
Peak:m/z	Relative Intensity
59.01269	0.9
71.58481	0.2
71.58960	0.3
121.89224	0.2
168.32761	0.2
169.06523	0.4
170.07347	1.5
171.04546	0.4
175.51746	0.2
184.05341	0.3
189.07170	0.3
193.06564	1.0
194.07352	5.9
195.07816	0.2
197.06070	7.0
198.06827	3.5
199.07603	0.7
206.07353	9.2
207.07687	0.5
209.06116	0.7
217.06589	6.1
218.07359	11.7
219.07791	0.8
221.06090	55.7
222.06538	5.6
223.06970	0.2
233.06146	0.5
233.15559	0.3
234.06950	0.6
236.32751	0.2
247.07724	0.4
249.05476	1.2
250.06352	3.8
251.06770	0.2
262.06461	0.4
263.07089	0.2
277.08746	100.0
277.21857	1.6
278.09088	7.3
298.21216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0721
Annotation	6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one
Peak:m/z	Relative Intensity
58.81390	0.3
59.01250	1.3
70.35054	0.7
70.35452	0.9
77.73858	0.3
93.03371	0.7
137.39943	0.3
140.09665	0.4
178.67871	0.4
191.15680	0.3
201.07040	0.6
203.08536	0.5
205.06538	0.5
217.06564	0.5
219.08125	8.8
220.08495	0.5
228.05745	0.7
229.06627	3.3
230.07388	8.1
231.08163	5.5
232.05254	1.3
232.08710	1.0
233.06122	2.6
245.06157	1.1
246.06839	0.5
247.07651	25.6
248.08022	2.3
257.06018	0.9
258.06897	22.3
259.07153	2.2
260.04855	0.6
261.05618	7.9
261.08029	0.3
262.05920	0.5
273.05667	0.6
274.06519	0.7
275.07187	100.0
276.07513	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	275.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.6
70.79517	0.8
84.60140	0.3
93.03362	1.1
95.65316	0.2
116.92725	0.3
119.24064	0.3
123.13221	0.2
134.55017	0.2
137.31395	0.2
182.03706	0.6
191.08618	0.7
192.95818	0.3
199.03954	1.0
201.06989	1.0
203.08568	0.7
217.06586	0.8
219.08151	11.2
220.08498	0.6
222.33727	0.3
228.05800	0.9
229.06627	3.0
230.07384	6.7
231.08144	6.0
231.10442	0.4
231.36258	0.3
232.05325	1.2
232.08481	0.5
233.06067	2.4
245.06136	0.8
246.06905	0.4
247.07672	24.1
248.08073	1.5
257.06088	1.1
258.06903	20.3
259.07217	1.4
260.04807	0.6
261.05615	7.7
262.05975	0.6
273.05640	0.5
274.06473	0.6
275.07196	100.0
276.07510	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	275.0721
Annotation	6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one
Peak:m/z	Relative Intensity
56.99655	0.3
59.01265	1.7
69.03310	0.3
100.08458	0.3
101.02407	0.3
115.05493	0.5
125.03884	0.6
127.34642	0.3
137.57356	0.3
143.04953	0.9
159.04390	0.4
169.02914	0.8
187.03983	3.8
197.02429	0.8
198.03204	23.8
199.03514	1.7
203.08644	1.3
215.03494	35.2
216.03815	2.0
219.08162	0.6
230.07379	1.0
231.08195	2.0
231.10304	0.5
241.01476	1.0
247.05307	0.3
247.07533	1.6
274.06433	1.0
275.07199	100.0
276.07507	8.3
290.78653	0.3
296.40851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	7.3
62.76814	0.8
70.74450	2.5
71.01279	0.9
73.02793	0.8
116.92766	1.1
192.95798	2.7
202.07837	2.2
203.08641	3.2
213.70033	0.7
230.07378	47.4
231.08138	58.6
232.08420	4.5
232.13507	1.4
275.07196	100.0
275.20276	1.7
276.07574	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	275.0721
Annotation	6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one
Peak:m/z	Relative Intensity
59.01048	2.1
59.01272	21.9
60.99184	7.0
71.01271	3.0
71.54731	3.8
74.94268	2.5
101.02342	2.8
103.42194	2.3
111.00809	3.1
116.92799	9.2
180.77054	2.1
192.95842	7.1
200.68982	2.5
203.08635	20.3
214.96222	2.4
219.08145	6.0
231.08255	11.9
238.78780	2.6
247.07677	100.0
247.10269	5.3
248.07996	8.4
275.07202	17.8
275.20297	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	275.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.7
67.40901	0.3
69.30105	2.6
69.30527	1.0
116.92790	0.5
133.04300	0.4
161.50018	0.4
192.95854	0.7
202.07898	1.8
203.08665	3.3
204.08752	0.4
205.06625	0.7
221.09668	0.4
230.07387	46.5
231.08148	65.7
232.08510	5.9
247.07579	0.6
275.07199	100.0
276.07510	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	273.0564
Annotation	Neburon
Peak:m/z	Relative Intensity
51.94719	0.2
55.08658	0.3
59.01250	1.1
67.16355	0.3
69.25962	2.2
69.26379	0.7
75.33091	0.3
90.24378	0.2
111.98653	0.3
122.32604	0.3
126.94244	0.3
146.10208	0.3
149.64140	0.3
189.07008	0.4
201.06985	0.3
205.06482	0.5
217.06502	1.4
219.08174	2.2
229.19568	0.8
232.05272	0.4
245.06105	13.8
246.06422	0.9
273.05627	100.0
273.18695	1.0
274.05978	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	273.0775
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
55.23204	0.5
57.03339	0.7
59.01253	1.1
61.98702	0.9
67.01768	0.8
69.03335	3.2
71.01264	0.8
80.02570	1.7
81.03350	3.9
83.01271	4.3
83.04946	0.7
93.03351	16.7
95.01268	0.9
95.04926	10.7
96.95927	1.1
97.02849	46.0
98.03645	1.6
106.04122	1.1
107.04948	5.1
108.02094	1.0
109.02851	1.9
111.04435	1.5
119.04922	3.8
121.02842	1.3
122.03653	2.4
123.04444	8.2
124.01514	1.1
125.02363	2.4
133.02885	6.7
134.03682	7.5
135.04451	13.8
136.04816	0.9
137.02371	13.7
138.03194	4.1
139.03949	7.7
143.04970	1.0
145.06528	1.8
147.03362	0.9
147.04433	3.6
149.05977	1.6
151.03932	1.3
160.05170	0.7
161.05991	2.5
164.01112	1.5
166.02600	3.9
167.03432	1.2
171.04482	1.8
172.05234	0.8
173.04500	1.7
176.03912	0.9
179.03465	5.4
185.06046	1.6
186.04167	1.2
186.06891	3.4
187.07605	11.9
189.05540	13.5
191.05592	1.0
193.04987	0.8
205.08681	12.9
206.09081	0.8
211.07542	1.5
213.05582	1.1
214.06354	0.8
215.03473	0.8
229.08705	15.4
230.09122	1.3
231.06635	3.1
255.06583	5.1
259.80688	0.6
273.07742	100.0
274.08087	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	273.039
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
57.28822	0.8
59.01267	1.5
61.92968	0.8
64.74564	0.7
69.44267	7.0
71.01271	2.2
72.04419	1.0
74.01650	0.8
78.95793	71.8
79.87822	0.9
82.60482	0.8
83.01304	0.9
84.63074	0.8
93.31509	0.7
96.00787	1.8
96.96866	4.9
99.00834	1.3
105.64814	0.9
110.98438	62.5
112.98666	1.0
114.01862	1.1
128.03471	3.1
129.01846	1.1
136.66460	0.7
158.08157	2.8
159.03729	0.9
241.01219	17.4
246.78719	0.8
273.03857	100.0
274.04102	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0564
Annotation	Neburon
Peak:m/z	Relative Intensity
55.63405	0.1
59.01243	0.1
63.40640	0.1
70.73281	0.2
77.69016	0.1
137.20735	0.1
147.46146	0.1
175.05481	0.1
189.07074	0.9
201.07069	0.9
217.06573	7.1
218.06958	0.4
219.08057	0.9
228.05792	2.0
229.06563	1.7
230.06847	0.2
232.05252	0.2
233.06009	0.4
244.05363	0.5
245.06102	2.8
246.06577	0.2
247.04012	0.3
247.07646	2.6
248.04720	0.3
248.07880	0.2
261.05609	1.0
267.18420	0.1
272.04758	0.3
273.05609	100.0
274.05942	8.0
276.04306	0.4
277.04929	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2285
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01777	0.5
59.37568	0.3
59.93041	0.3
66.21322	0.3
72.99180	0.3
74.74425	0.3
82.58916	0.3
86.74857	0.3
107.01276	0.4
113.31863	0.3
114.85011	0.3
116.91174	0.3
119.04923	0.9
124.77840	0.3
125.02357	0.5
137.16254	0.3
141.71555	0.3
149.12050	0.3
151.00301	1.4
197.19075	1.2
221.19116	0.9
223.20691	4.0
224.20909	0.4
225.22241	64.1
226.22554	4.8
253.21733	1.4
254.22208	0.4
269.21277	0.5
271.06036	1.9
271.22839	100.0
272.23209	8.9
284.34836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2285
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01255	0.7
63.02235	0.5
65.00204	1.0
71.29447	1.1
83.01271	0.7
83.04913	0.6
107.01285	1.0
108.02081	0.7
109.02861	1.1
119.04942	4.6
125.02382	1.3
129.78075	0.4
151.00307	2.6
159.36116	0.5
175.98506	0.6
211.20688	1.7
225.22221	1.3
230.36105	0.4
243.08305	0.7
253.21751	1.8
263.74100	0.5
269.21072	0.5
271.06009	4.9
271.22839	100.0
272.06363	1.0
272.23148	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	273.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31448	1.3
71.01264	1.2
72.99203	1.0
77.02568	0.3
78.95795	67.0
81.72817	0.3
85.02853	0.4
87.00780	0.9
88.98695	0.6
96.87114	0.3
96.95924	0.5
96.96862	7.5
103.00307	0.3
106.09248	0.3
108.80109	0.3
110.02358	0.4
110.98443	54.1
111.98856	0.3
112.00348	0.5
113.02373	0.5
125.02328	0.4
128.03453	0.4
146.04510	0.9
157.09850	0.5
164.27048	0.4
184.00124	0.8
201.08775	1.3
241.01222	16.5
242.01509	0.5
254.99161	0.4
273.03867	100.0
274.04242	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	269.1301
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01252	3.5
60.74510	0.8
62.70905	0.7
62.96276	1.1
71.01266	1.2
89.02334	1.7
90.97047	1.1
94.02882	0.8
96.95896	0.7
101.02377	0.9
117.03343	1.9
120.04438	2.8
151.00354	0.8
167.67737	0.9
186.95555	4.4
211.08768	3.0
225.10368	5.8
225.22226	1.3
239.08369	4.0
240.09149	0.9
241.13487	2.7
241.28859	0.7
253.09767	2.6
254.10648	16.3
255.10918	1.4
269.04678	9.1
269.13000	100.0
269.17746	3.0
269.21268	25.6
269.24850	8.3
270.13300	6.8
270.21762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1193
Annotation	Tensyuic acid D
Peak:m/z	Relative Intensity
57.03344	14.0
59.01261	9.5
61.98715	3.0
62.81303	2.9
65.00206	3.2
65.90501	2.4
67.01746	2.5
68.99705	44.2
69.03347	3.6
71.58833	3.2
83.01289	3.5
83.04931	4.2
85.02849	7.5
94.86118	2.6
95.04933	3.1
97.06498	15.0
107.01291	4.3
108.02065	3.6
109.02850	6.9
119.04968	11.3
121.06522	3.0
123.08068	4.6
125.02370	7.5
125.09656	34.1
132.54355	2.5
137.09688	4.0
149.09612	4.1
151.00279	8.3
151.11208	32.4
153.09158	28.7
158.83905	2.7
165.09149	2.6
167.10751	14.5
177.09167	17.5
195.10248	100.0
196.10558	6.7
221.11710	3.1
227.12897	33.6
239.12964	3.8
271.02646	5.8
271.06165	20.2
271.11813	40.1
271.15869	3.3
271.19101	2.9
271.22919	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	271.2286
Annotation	Jalapinolic acid
Peak:m/z	Relative Intensity
59.01265	100.0
59.06358	0.7
60.01618	1.0
62.07562	0.8
63.02297	1.0
63.90266	0.6
64.20949	0.7
64.55637	0.7
64.89863	0.7
65.00223	1.1
71.50189	1.4
80.30327	0.6
89.24380	0.7
107.01315	2.4
108.02052	0.9
109.02880	0.9
112.09792	0.7
119.04960	5.2
125.02374	2.3
151.00325	6.0
177.02037	0.8
221.19510	0.8
225.22298	0.8
271.06161	7.4
271.22852	64.2
272.06528	0.8
272.23264	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	267.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84448	1.4
59.01266	14.2
65.64887	1.5
69.36022	1.3
71.01270	4.0
71.58646	1.5
73.02836	2.1
87.00776	4.2
89.02343	2.9
101.02351	3.3
107.17828	1.5
113.02347	3.3
124.44503	1.7
161.04501	2.0
165.60486	1.3
187.25032	1.5
205.15982	14.8
223.17043	100.0
224.17360	6.9
249.14957	9.2
267.11166	4.2
267.16064	66.5
268.16321	4.4
283.78940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1608
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
57.03325	2.6
59.01262	10.7
59.98410	0.8
60.93496	0.7
61.98714	0.9
65.79778	0.5
69.03336	6.3
71.01276	1.4
71.59666	1.0
73.02841	2.1
77.48342	0.6
79.95613	2.3
81.06989	1.4
83.04903	2.5
85.02824	1.3
87.00778	1.8
89.02346	0.8
92.11021	0.6
95.04937	1.6
99.04411	2.3
101.02319	1.1
113.02368	0.9
113.06012	1.1
114.63493	0.6
119.08570	0.8
133.10139	1.1
135.11717	2.3
137.09665	1.7
149.04504	0.6
153.09151	10.8
167.10683	0.7
171.10046	0.7
175.63251	0.6
179.10736	30.3
180.11040	1.3
186.09473	0.6
195.43774	0.6
217.67065	0.6
223.13448	1.9
233.71367	0.6
236.09627	2.8
249.15065	3.0
267.16058	100.0
268.06863	3.3
268.16406	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	269.1036
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
59.01258	1.4
61.98716	1.0
69.03348	9.6
70.74949	0.9
70.75291	2.5
71.01269	5.5
72.99193	2.8
78.95785	3.3
83.19711	0.8
87.00784	0.9
96.96867	7.0
106.53840	0.7
108.02067	2.1
115.03921	1.6
119.30827	0.8
121.02865	2.6
121.06401	0.9
123.04459	5.3
131.03423	0.8
134.03691	1.3
135.04451	1.3
138.91988	1.0
153.48515	0.8
162.06807	0.9
163.03979	1.5
164.04735	2.7
168.38280	0.9
176.84659	1.0
179.07092	44.9
180.07475	3.0
192.07893	1.5
197.19069	0.9
205.08659	1.4
215.48405	0.9
225.22093	1.0
237.07626	1.0
251.09282	5.6
269.04520	3.8
269.10367	100.0
269.21283	16.7
269.24844	2.9
270.10703	6.5
293.09375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2179
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01260	4.2
71.01259	0.5
88.15849	0.4
92.68569	0.5
94.68649	0.4
96.95914	7.9
98.20607	0.7
101.02360	0.5
171.59959	0.6
247.20757	0.8
265.15091	5.9
265.21774	100.0
266.22141	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	267.1244
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
56.64069	0.7
57.03335	2.9
59.01263	100.0
60.01595	0.7
61.98715	1.2
70.72782	1.6
70.73141	0.9
71.01245	1.2
71.04917	1.8
73.46886	0.8
83.04910	1.4
84.41994	0.8
87.00790	3.0
97.82371	0.8
113.02393	0.7
129.15019	0.8
140.93492	0.7
146.58569	0.8
161.09599	0.8
161.13333	1.8
163.11205	0.8
170.23050	0.9
177.12947	0.7
187.11150	1.0
205.12297	1.0
207.10330	2.4
223.13397	48.1
224.13773	2.9
246.79742	0.7
258.09924	0.7
267.12518	6.2
267.16043	2.5
267.19681	1.1
268.06903	1.2
281.03394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.202
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.03030	0.5
59.01262	8.5
59.68026	0.5
71.01254	1.0
71.59024	0.5
78.28602	0.5
82.74388	0.5
87.00784	0.6
97.31841	0.5
97.86458	0.6
105.41380	0.5
134.25168	0.6
162.89278	0.5
168.10297	0.5
184.76947	0.6
197.93663	0.5
234.86679	0.6
245.19130	0.6
263.20200	100.0
264.20523	9.3
268.02579	0.5
273.92838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	100.0
63.13995	10.0
71.56277	15.6
90.82630	11.3
93.48251	11.0
119.00736	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	265.1449
Annotation	Rugosal A
Peak:m/z	Relative Intensity
54.86416	1.8
57.03360	2.1
59.01260	46.7
59.02787	2.5
63.07579	1.8
65.03838	8.6
68.31284	1.9
70.10558	7.9
71.01279	8.7
71.12222	2.3
73.54123	2.1
81.03350	27.6
82.63927	2.2
83.04905	27.5
85.02818	3.9
93.03341	16.5
95.04919	10.0
98.20499	2.3
101.02364	3.7
109.02847	6.5
109.06484	5.1
109.74812	2.1
110.03634	8.3
111.04423	57.1
112.04736	2.3
115.05171	2.0
116.80675	2.5
121.02885	6.2
123.04420	5.7
129.48747	2.6
137.09578	2.1
139.11218	10.0
150.61533	2.2
155.10605	3.3
161.04520	3.1
171.10191	8.2
177.12811	8.5
183.10344	2.7
185.11917	2.6
186.89960	2.9
193.15981	16.1
194.16508	2.4
201.11397	2.2
203.14386	3.5
219.13924	6.6
221.11862	30.1
221.15479	3.0
237.14963	78.9
238.15309	5.0
247.13342	20.6
265.14499	100.0
266.10553	2.5
266.14822	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	263.1293
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
55.01789	1.5
57.03326	2.9
59.01262	15.7
63.74134	1.0
67.60094	1.1
70.88002	2.3
70.88351	1.7
71.01261	6.5
73.02826	1.3
81.03351	1.2
83.04906	4.1
85.02872	1.5
93.03357	2.6
93.07009	1.0
95.04929	1.4
96.95876	1.2
97.02857	10.1
97.06482	1.7
102.90295	1.0
105.07012	3.1
107.04949	3.2
108.05714	5.7
109.02848	7.7
109.06497	3.8
111.04417	13.8
111.08079	1.8
112.05039	1.1
113.05987	13.6
119.04963	1.3
119.08577	6.3
121.06516	4.8
122.03638	13.7
123.04434	1.9
123.08098	7.9
124.05238	1.9
125.05120	1.9
125.06004	16.8
125.09689	1.4
135.08102	4.1
136.05225	19.5
137.06017	7.3
137.09589	1.3
138.06789	22.5
139.07574	45.8
148.05235	9.9
149.06026	6.0
151.07588	83.0
152.04747	11.1
152.08376	50.5
152.09628	2.2
153.09149	12.3
153.55713	1.2
159.11775	5.3
159.32663	1.0
161.09644	9.0
163.07585	17.2
167.07071	4.5
170.05746	2.2
170.28079	1.1
175.07533	1.4
177.12679	1.4
179.07210	1.1
185.09651	2.2
186.10449	3.0
188.08406	3.3
189.09183	8.2
190.09424	1.1
191.14484	1.2
201.12834	35.7
202.13153	2.3
203.10757	29.4
204.11531	70.4
205.11913	4.5
219.08145	25.5
219.13893	100.0
220.08498	2.2
220.14221	6.5
220.67415	1.2
235.07646	4.6
236.10516	1.3
248.06456	1.2
263.07166	28.0
263.10086	1.6
263.12943	14.3
264.07535	1.5
264.12976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1657
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.28800	0.6
53.72575	0.7
56.98383	0.6
59.01262	31.9
66.16525	0.6
71.01248	1.0
71.39724	1.6
72.78297	0.7
85.02849	1.6
89.02327	1.0
93.03342	0.8
95.04933	1.1
131.03477	0.8
135.08070	0.9
148.08812	2.3
149.09666	1.8
151.11252	1.4
163.11237	5.8
165.12798	30.4
166.13081	1.2
177.12891	0.9
189.12753	1.8
191.14383	9.7
201.12996	0.7
219.08168	0.9
219.13948	1.1
219.17535	9.0
245.15486	4.5
263.16562	100.0
264.16901	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	263.072
Annotation	R162
Peak:m/z	Relative Intensity
59.01267	2.1
62.32902	0.1
64.27259	0.1
65.03804	0.1
71.01262	0.1
93.03357	4.3
94.03690	0.2
98.19814	0.5
101.02279	0.1
103.85262	0.1
107.80939	0.1
113.02307	0.2
114.04517	0.1
143.04883	0.2
165.07059	1.6
191.08623	2.7
192.09003	0.3
193.06522	1.5
217.06538	0.3
218.07346	0.2
219.08150	100.0
220.08478	8.5
229.54170	0.2
234.06810	0.1
235.07716	0.3
247.07428	0.1
263.07178	90.8
264.07523	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	263.0718
Annotation	H-Met-Asp-OH
Peak:m/z	Relative Intensity
51.95252	0.3
59.01265	1.9
69.48087	2.0
69.48515	1.0
83.99004	0.5
108.36781	0.4
219.08145	100.0
220.08478	7.4
235.07623	0.6
263.01416	1.0
263.07178	33.5
264.07581	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	259.023
Annotation	alpha-D-galactose 6-phosphate
Peak:m/z	Relative Intensity
59.01262	3.3
64.52919	1.5
71.01269	4.6
71.57001	2.6
78.95794	93.0
83.01294	3.5
85.02847	2.4
93.03320	2.0
95.17914	1.8
96.96865	100.0
99.00780	4.4
104.31397	1.6
111.00775	4.5
112.98732	12.1
115.00269	2.5
129.01848	3.4
138.97971	3.7
168.99040	2.2
173.00829	3.1
184.84103	1.9
259.02267	32.0
260.02515	2.9
266.01178	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	259.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29885	0.5
59.01262	0.7
66.40270	0.4
70.60246	1.4
72.08371	0.5
79.37312	0.4
80.02574	0.9
81.03342	1.5
83.04912	4.7
84.02068	2.9
95.04932	0.7
96.96851	0.8
119.28320	0.6
122.69424	0.4
135.08092	1.3
136.82065	0.6
163.11197	4.6
165.12827	2.7
169.05072	0.5
181.12263	0.9
191.10721	1.2
209.11815	100.0
210.12158	5.8
227.12897	13.6
228.13297	1.0
258.06720	0.5
259.07608	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	261.0561
Annotation	Lanceolatin B (flavonoid)
Peak:m/z	Relative Intensity
51.39972	0.3
56.77230	0.3
59.01256	1.0
81.97085	0.3
97.06532	0.4
117.03417	0.4
119.04912	0.4
122.51544	0.3
125.09650	0.7
145.02757	0.3
160.71440	0.3
165.65781	0.3
187.09789	0.5
189.07063	0.5
204.05765	1.8
205.06564	2.6
207.88728	0.3
232.05302	5.7
233.06078	7.8
234.06461	0.6
260.04849	2.7
261.05609	100.0
261.14795	1.4
261.22345	1.4
262.05942	8.8
263.53894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0887
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
50.82388	1.1
54.82211	1.2
58.02867	3.0
59.01257	7.3
70.02862	8.9
71.29846	2.4
72.04417	3.3
74.02362	100.0
79.20174	1.1
98.02369	25.5
104.50851	1.4
111.83048	1.4
116.03454	60.7
117.03828	1.7
125.09688	1.9
128.03467	8.0
131.03685	2.9
132.04488	32.7
144.04495	7.1
158.06088	2.9
158.89490	1.3
167.59930	1.3
174.30553	1.5
175.08711	2.1
193.30540	1.2
195.24103	1.2
201.06697	15.4
219.07736	4.8
261.08865	44.0
262.09103	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	261.0926
Annotation	(Z,E,E,E,E)-5-(2,4,6,12-Tetradecatetraene-8,10-diynylidene)-2(5H)-furanone
Peak:m/z	Relative Intensity
57.19370	0.5
59.01260	1.3
59.39518	0.4
60.99177	2.3
69.27909	2.4
69.28333	2.8
75.86516	0.5
95.10305	0.5
101.41926	0.5
101.80800	0.5
105.88490	0.5
107.92229	0.5
115.05445	4.0
125.09653	0.9
187.09761	0.6
191.08633	0.7
203.08636	9.0
205.10196	2.0
215.08658	11.2
216.08955	0.9
217.10222	98.6
218.10558	8.7
219.08156	0.8
224.42322	0.5
231.08177	3.3
232.08665	0.8
233.09726	30.7
234.10066	3.1
235.11304	1.8
245.06232	1.3
247.07646	11.5
248.07903	0.7
249.09227	9.4
250.09628	0.9
259.07700	6.3
261.09253	100.0
261.22360	1.3
262.09604	11.6
275.07098	0.6
277.08472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.5
57.03324	6.0
59.01248	3.8
61.98717	1.3
69.03329	3.4
70.80796	0.8
71.01263	4.7
71.04908	20.7
83.04910	3.8
95.04937	1.8
95.44973	0.9
97.02827	1.6
97.06488	12.3
99.00779	12.6
109.06503	2.3
110.03608	0.8
118.40372	0.9
123.08081	9.7
125.09640	76.6
126.09948	3.9
145.10097	1.4
153.09166	6.6
153.12801	2.8
161.09634	1.0
163.11224	24.9
164.11522	1.7
179.10735	3.7
181.12305	51.7
182.12631	2.8
195.13864	1.6
207.10251	11.9
211.13429	2.4
212.88942	0.9
213.14885	1.8
225.11308	35.8
226.11649	1.7
239.13025	5.2
256.23721	0.9
257.13980	100.0
257.23911	8.8
258.07925	0.8
258.14331	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	251.202
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01264	8.3
71.01260	2.7
71.58760	1.2
79.85474	1.1
85.02896	1.0
101.02317	1.1
153.12688	0.9
172.17480	1.0
188.77588	1.0
191.05705	1.2
251.05418	1.3
251.12941	1.8
251.20192	100.0
252.20580	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	252.0737
Annotation	Neopterin
Peak:m/z	Relative Intensity
57.48777	0.2
59.01265	18.1
60.97395	0.3
61.98715	0.3
71.01264	0.7
71.57365	0.2
71.57740	0.2
72.99245	0.2
73.02847	0.3
73.49589	0.2
79.95623	100.0
80.95587	0.3
80.96394	0.7
85.02839	0.4
87.00779	0.4
89.02327	0.2
95.01265	0.2
99.00760	0.3
101.02339	0.5
108.19517	0.2
113.02374	0.4
126.12801	0.8
128.11464	0.2
160.11563	0.6
161.04475	1.2
170.11745	0.2
183.57132	0.2
188.11110	8.5
189.11417	0.6
193.07150	3.7
252.07364	50.6
253.07530	3.8
253.14534	0.5
253.21692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89584	0.6
53.70662	0.6
57.03334	2.0
67.01776	0.8
69.03344	56.0
70.03666	1.4
70.19450	0.7
70.65630	2.0
71.01269	9.0
71.04910	4.9
73.02831	1.0
75.26102	0.8
77.26468	0.6
81.03349	1.7
83.04929	2.3
85.63483	0.7
89.92733	0.6
95.04936	3.1
97.06503	4.3
98.19900	0.8
101.76727	0.7
105.06985	0.8
107.04903	0.8
108.02071	0.8
109.02901	0.9
109.06499	2.3
111.04459	3.2
118.05037	0.7
120.41282	0.7
121.06506	2.8
123.08083	30.4
124.08371	1.2
125.09645	20.0
126.09930	1.0
133.06483	0.8
137.06026	0.9
137.09650	10.0
149.09644	3.7
151.07639	0.9
151.11224	3.6
161.09674	8.2
164.28404	0.7
177.09132	1.3
179.10739	100.0
179.64937	0.6
180.11095	6.1
183.13795	0.6
187.39877	0.6
211.13393	12.3
212.13693	1.4
223.09726	4.4
255.12433	41.6
255.23343	29.1
256.12863	4.2
256.23740	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	257.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25388	1.1
55.01782	2.0
57.03335	7.9
59.01258	4.8
61.98687	1.6
62.50909	1.1
62.90782	1.3
66.86593	1.1
68.56857	1.1
69.03344	5.0
71.01251	3.3
71.04903	21.7
72.34499	1.1
81.03381	1.4
83.04917	4.8
95.04944	2.4
97.02856	5.5
97.06494	18.6
99.00781	24.2
99.07549	1.1
101.22428	1.2
109.06497	3.5
110.03693	1.4
121.06377	1.5
123.08099	9.9
125.02323	1.8
125.09643	100.0
126.09959	5.3
142.02664	1.6
145.43121	1.4
153.09120	5.4
153.12776	4.3
154.37442	1.2
161.09671	1.5
163.11232	20.9
164.11497	1.7
167.10884	1.1
179.10744	4.6
181.12302	66.4
182.12683	4.3
197.11810	1.3
207.10252	37.3
208.10626	2.3
213.14955	2.6
225.11328	94.6
226.11678	5.3
239.12903	4.7
243.12413	3.3
257.13989	58.0
257.17505	4.1
257.23895	11.1
258.14249	3.6
272.66019	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	247.1705
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
52.57782	0.1
59.01257	0.4
59.53383	0.1
70.88551	0.4
73.24648	0.1
82.48354	0.1
83.75887	0.1
92.22027	0.1
93.08382	0.1
94.10281	0.1
103.03951	0.1
119.92692	0.1
121.02847	0.2
128.44641	0.1
129.47398	0.1
132.98123	0.2
138.84209	0.1
141.19554	0.1
174.99200	0.1
179.07153	0.2
186.95532	0.3
204.15208	0.1
205.07115	0.1
205.15865	0.3
207.55603	0.1
214.37959	0.1
220.17047	0.8
227.53333	0.1
231.14020	0.6
247.17058	100.0
248.08037	0.3
248.17397	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	249.0923
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
59.01268	0.4
67.43583	0.1
70.07439	0.5
79.53634	0.1
91.25529	0.1
93.03333	0.2
95.14253	0.1
96.61123	0.1
98.19876	0.2
121.02841	0.2
168.85593	0.1
187.44760	0.1
202.07857	0.4
203.08627	0.9
205.06648	0.2
205.15891	0.1
218.07214	0.1
219.08144	17.7
220.08476	2.2
221.09669	0.5
230.07370	11.4
231.08122	11.0
232.08861	4.9
233.09265	0.5
234.06876	0.3
235.07608	0.2
247.07651	2.2
248.08220	0.2
249.09225	100.0
250.09557	11.6
250.14606	0.3
263.07153	0.3
264.07980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1499
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
57.03339	1.1
59.01263	14.7
61.98727	2.4
69.03343	29.7
71.01288	1.1
71.04907	0.9
71.51400	1.4
73.02818	1.1
79.95629	1.3
83.04906	2.8
93.03371	1.0
95.04916	4.0
97.06488	2.2
106.04168	1.3
119.04916	1.9
121.06502	1.1
134.07350	1.2
137.09615	0.8
149.13312	2.0
151.11218	1.3
158.13058	0.8
161.02371	1.2
161.13278	1.8
167.10707	2.5
171.10263	1.1
175.11288	0.9
177.09067	1.1
177.12749	0.8
184.50308	1.0
187.14888	3.8
189.04054	1.0
191.10730	0.9
193.12274	7.0
203.14378	1.5
205.12376	8.7
205.15979	10.2
206.12656	1.0
219.04073	1.9
221.15488	16.0
222.15739	1.8
231.13927	29.7
232.14238	3.3
249.08765	7.5
249.14998	100.0
250.14842	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	245.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11548	0.7
56.58984	0.6
58.02864	21.3
59.01251	1.1
61.98710	1.1
69.44078	1.0
69.44477	5.7
70.02869	16.5
72.00798	4.5
72.04444	3.3
74.02362	87.9
75.02703	1.1
82.16512	0.7
84.04445	0.8
95.37012	0.8
97.52341	0.7
98.02380	20.7
98.19785	1.3
99.02694	0.7
116.03464	28.7
116.04969	31.7
117.05340	1.9
126.91892	0.6
130.06566	4.5
142.06569	6.6
156.08127	0.7
159.09229	5.6
160.02505	0.8
160.09610	0.7
183.09309	1.5
186.05527	2.0
201.10193	7.3
202.10632	1.0
203.08247	79.3
204.08580	7.8
209.11797	1.0
215.83215	0.7
245.09335	100.0
246.09380	9.9
246.11508	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	0.7
58.02869	1.0
59.01276	2.4
61.98730	1.9
69.03350	0.8
69.48091	6.2
70.02874	1.0
71.01288	0.9
74.02377	2.9
80.96436	1.8
83.04922	5.0
84.02087	2.1
98.02405	1.0
98.30502	0.8
108.41405	0.7
113.42762	0.8
116.05009	1.1
125.09680	4.6
127.11199	8.2
135.08136	1.0
137.09676	1.3
155.10690	2.5
159.05620	0.7
163.07608	8.0
163.11234	5.0
165.09164	2.8
165.12794	3.4
171.10202	2.7
191.10870	0.9
199.09807	1.7
201.11307	100.0
202.11653	6.8
203.08310	2.2
209.11823	97.5
210.12160	9.5
213.06714	1.3
227.12875	13.9
228.13274	1.7
245.04486	1.2
245.09375	1.4
245.13867	1.8
246.11574	4.4
246.13628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1139
Annotation	Securitinine
Peak:m/z	Relative Intensity
54.23411	1.2
59.01246	5.3
59.92512	1.5
68.01284	1.3
72.99194	4.3
85.02836	5.6
87.04398	1.4
92.04972	3.9
96.16809	1.2
97.06486	24.9
98.19751	2.7
106.02895	2.9
113.02313	1.5
119.03682	18.2
120.04441	4.4
130.38824	1.3
131.03706	1.7
132.04485	1.5
132.08092	4.8
134.09651	2.1
147.03198	100.0
148.03984	99.3
148.05200	3.1
149.04358	5.3
160.07510	2.1
160.21913	1.3
160.23311	1.5
162.09152	1.9
173.04622	3.5
174.09256	7.5
174.12814	3.0
175.07602	2.0
176.10738	6.2
190.08694	7.3
190.12280	2.5
191.10844	2.7
202.08754	10.9
218.11847	14.5
228.10228	3.6
246.11382	75.3
247.11739	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	241.2175
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
53.05809	0.7
59.01280	0.9
61.98718	1.1
64.85558	0.7
71.29061	1.7
72.00327	0.7
96.66814	0.7
172.44754	0.8
178.29510	0.8
181.06055	1.0
185.81340	0.7
241.21750	100.0
242.22072	12.5
242.24390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1765
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
53.61853	0.2
53.92990	0.1
57.03335	0.2
58.02852	0.3
59.01266	0.3
61.98715	0.8
63.05510	0.1
64.81085	0.1
65.99712	0.1
71.58704	0.2
83.04900	0.2
110.02453	0.1
110.09110	0.1
165.73647	0.1
179.14339	0.4
181.15942	28.1
182.16299	2.7
198.18616	1.5
200.05737	0.2
206.15515	0.3
224.16559	5.6
225.14960	30.0
226.15297	2.7
242.17636	100.0
243.15993	11.4
243.18036	8.2
244.16350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1242
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.58226	0.5
54.34941	0.5
57.03332	0.9
59.01265	4.9
61.98713	1.2
65.01318	0.6
71.01272	2.0
71.04906	1.7
73.02824	0.8
79.23498	0.7
79.37170	0.6
92.68161	0.5
97.02859	3.2
97.06477	1.4
99.00779	10.0
109.06485	0.6
109.53249	0.5
110.03678	0.7
121.03960	0.7
123.08054	0.6
125.09626	5.0
127.11213	3.0
131.56258	0.6
139.11220	1.5
142.02661	1.0
147.23424	0.5
153.12648	0.6
155.14316	1.0
163.11264	4.4
171.10229	1.5
173.04739	0.6
181.12308	15.9
181.13922	0.8
182.12686	1.5
183.10208	2.4
190.90424	0.6
197.11728	2.8
199.13385	34.3
200.13612	2.7
201.11256	1.2
206.88020	0.6
207.10266	27.2
208.10582	1.9
215.12938	0.9
225.11339	61.4
226.11687	4.8
229.16492	0.7
243.12404	100.0
244.07709	1.4
244.12706	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	243.1242
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.82105	1.3
59.01257	3.7
59.08740	1.2
61.98712	5.1
65.01307	1.4
65.99753	2.3
71.04923	2.2
71.55952	1.7
81.04487	1.7
81.80756	1.7
97.02853	3.6
99.00784	13.1
111.00776	1.6
121.04025	1.7
122.94425	1.3
125.09650	5.3
131.79315	1.4
133.03983	1.3
147.78734	1.6
149.18941	1.4
155.14288	2.0
157.05148	1.5
163.11255	5.0
171.10193	1.6
174.06830	1.6
180.60205	1.4
181.12277	14.5
182.12701	1.6
185.84088	1.5
197.11897	2.2
199.09720	4.3
199.13406	15.9
207.10258	24.6
208.10674	1.4
215.12881	8.7
225.11339	60.2
226.11731	3.4
243.12411	100.0
243.19740	2.4
244.12704	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	245.0937
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
56.31996	1.0
57.70933	1.3
58.02863	22.7
59.01257	3.2
61.30478	1.1
61.98706	4.9
65.01323	1.6
70.02878	14.9
71.55893	1.8
72.00791	4.7
72.04433	4.3
74.02363	100.0
90.13479	1.2
92.76321	1.2
96.86423	1.1
98.02384	24.0
108.37011	1.0
116.02620	1.6
116.03456	30.1
116.04976	29.0
117.05270	1.5
120.42431	1.0
127.44023	1.2
130.06560	4.7
134.03580	1.6
142.06569	6.7
153.05505	1.1
159.09251	7.8
160.02512	1.6
183.09288	1.9
186.05547	1.9
201.10316	7.9
203.08249	86.9
204.08583	5.7
245.09357	95.1
246.09657	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	245.0436
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.44977	2.3
51.66964	2.3
52.36115	2.0
58.00485	3.1
58.87903	2.3
59.00960	2.8
59.01260	57.3
60.99207	2.1
71.01260	33.9
71.56898	3.7
72.99209	8.3
73.02821	3.7
78.95791	69.2
83.01258	3.4
85.02853	5.0
87.00787	3.4
89.02328	32.6
96.96859	15.5
97.06477	2.2
99.00786	4.0
101.02346	73.2
111.00796	3.0
111.32964	2.1
112.98715	7.3
113.02366	10.0
115.00285	5.8
119.03414	100.0
120.03720	3.3
143.03481	4.8
144.70589	2.5
145.01347	6.8
149.04477	6.8
152.99535	38.4
168.02962	2.7
168.57060	2.6
171.00546	22.0
173.04544	4.0
174.42429	2.4
179.05571	2.9
191.05557	3.7
209.06657	46.2
245.04390	68.3
245.11760	2.8
246.04837	2.9
246.98640	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	243.1241
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03333	0.9
59.01273	1.6
60.32444	0.5
61.98715	0.8
65.99709	0.6
69.53867	0.6
71.01248	0.6
71.04902	4.1
71.15415	1.2
71.15769	1.0
73.74852	0.6
78.52740	0.5
83.04935	0.8
88.02700	0.5
90.13067	0.5
97.02833	6.0
97.06511	1.6
97.59586	0.5
99.00780	20.2
109.06492	1.2
110.03677	1.6
123.08094	0.7
125.09653	6.4
126.09989	0.6
127.11225	1.5
134.03638	0.6
135.08072	1.0
136.05295	1.1
142.02644	2.0
153.12781	1.0
155.14374	1.6
163.11252	8.0
171.10194	0.9
179.10735	1.3
181.12317	24.1
182.12653	1.0
196.41141	0.6
197.11752	2.0
199.13388	20.4
200.13797	1.0
207.10260	43.8
208.10597	3.2
225.11325	82.4
226.11649	5.8
243.12401	100.0
244.12755	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	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
55.01771	6.9
57.03337	10.3
59.01265	10.6
59.20120	0.8
68.99712	1.5
69.03352	1.2
71.00662	0.8
71.01270	14.2
71.56786	0.9
72.99198	9.9
73.02828	4.3
74.67394	0.7
74.98983	2.6
75.00767	17.5
78.95794	1.1
80.96426	1.3
81.03353	3.0
83.01278	17.5
84.02059	2.3
85.02842	82.1
86.03168	2.3
87.00771	100.0
88.01102	2.7
89.02339	2.2
90.98505	2.0
95.78273	0.8
96.95794	0.7
97.02847	1.6
99.00767	6.6
101.02341	6.2
105.00072	2.1
105.03694	1.9
110.00112	0.8
111.00786	13.7
112.98691	1.1
113.02356	3.8
115.00281	13.2
117.01863	1.0
120.99577	20.1
122.03940	0.9
125.02354	12.5
129.01859	26.6
135.01189	1.2
138.05576	1.1
143.03412	6.7
147.02921	0.8
148.99101	1.5
149.02634	2.3
158.79590	0.7
159.02945	1.2
161.04492	2.4
162.05630	0.7
166.05022	1.8
177.03999	1.5
194.08192	0.8
205.03523	18.3
206.03824	0.9
219.97685	0.7
237.00778	3.4
237.04250	3.9
237.06265	19.1
237.09798	1.1
238.07050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.06
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02070	0.3
59.01264	22.2
60.01600	0.4
70.10629	0.3
71.01268	0.6
71.44905	0.4
74.47054	0.2
74.98962	9.5
85.02846	0.9
87.00767	2.2
91.02105	10.3
92.02042	0.4
92.03976	0.2
93.00031	4.4
99.00759	0.6
117.01835	0.5
125.02369	0.5
142.29007	0.2
149.00893	4.6
161.04489	2.9
179.05577	14.7
179.51888	0.3
180.05885	0.6
206.99718	2.9
223.02840	100.0
224.02861	13.1
239.05884	1.3
239.12831	0.5
239.76379	0.3
241.03889	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	241.1086
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01749	0.5
55.93762	0.5
57.03325	1.1
59.01261	1.9
61.98715	1.9
68.80157	0.4
69.03342	3.8
69.39593	0.9
69.40001	3.2
71.01279	0.8
71.04907	5.0
77.09663	0.5
83.04928	1.0
96.35964	0.4
97.06506	0.5
103.69858	0.4
123.04434	0.4
123.08067	1.2
125.09646	2.9
126.01808	0.5
151.11230	1.4
153.12799	4.3
161.09676	1.4
176.69008	0.5
179.10741	7.6
181.05943	0.8
196.68619	0.6
197.11816	100.0
198.12173	7.9
214.07487	0.5
223.09821	3.0
241.10849	86.8
241.21710	0.9
242.11177	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	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.03135	0.7
57.03328	0.9
59.01256	5.1
61.98723	4.3
65.01324	1.3
67.01816	0.8
69.14986	0.7
70.12225	3.9
71.01270	4.5
72.44487	0.8
73.02827	6.3
73.03175	0.9
75.00763	1.3
83.04886	1.1
85.02867	1.4
93.03344	0.8
96.95882	1.0
97.06476	1.4
106.04032	1.2
108.88947	0.9
111.04434	1.1
112.45495	0.8
123.04398	1.0
123.08105	1.2
125.09641	2.4
127.11190	1.3
130.04050	1.0
135.08170	1.0
139.07430	1.1
149.09673	0.8
151.11232	3.1
153.09120	3.7
155.10663	3.1
161.09665	1.6
165.09138	2.0
169.12291	100.0
170.12627	5.9
172.06326	0.9
177.09192	1.1
179.10690	3.1
181.08682	2.5
181.77936	0.9
183.10228	3.2
195.10173	1.0
197.11786	19.3
198.12169	1.2
205.08585	1.2
213.11269	1.3
214.07457	0.8
223.09729	6.1
241.00739	1.0
241.08720	1.7
241.10828	47.8
241.14619	1.8
241.18097	2.2
241.21768	3.0
242.11125	3.5
245.69240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.0
57.03344	4.0
59.01264	100.0
60.01610	1.5
60.99195	1.5
67.01778	4.3
67.64250	0.5
68.99706	1.7
69.03341	1.0
71.01270	18.0
71.04898	0.7
72.01610	0.7
72.99199	1.4
73.02489	0.4
73.02837	2.8
78.95800	2.1
81.24645	0.5
83.01279	4.6
85.02834	4.3
87.00780	1.7
87.92428	4.4
88.92509	0.6
93.02764	0.9
93.03360	16.4
96.96867	4.0
99.00776	4.9
101.02332	1.1
101.42374	0.4
103.90852	0.6
103.91931	14.7
104.02767	0.7
104.03426	4.3
104.92712	6.9
105.93510	0.6
106.94304	1.0
108.36369	0.4
111.00785	8.1
111.04452	2.6
113.02396	0.6
115.00331	0.5
115.98653	0.4
118.97994	1.3
122.91231	0.4
123.94578	2.4
124.94634	1.0
129.01851	10.3
130.02251	0.6
135.02878	0.7
146.08157	0.5
155.03371	0.6
160.91736	19.3
161.91960	0.6
173.00851	1.4
173.04512	25.1
174.04849	1.0
190.08705	1.0
228.99364	0.5
233.01163	0.9
233.06595	2.9
233.10260	1.1
233.15462	18.6
234.07680	0.9
234.09802	6.0
234.15796	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03337	2.0
59.01264	100.0
60.01590	1.1
60.99195	1.3
64.90264	0.5
67.01778	4.5
69.03333	0.5
70.64914	1.1
70.65282	1.2
71.01273	11.5
72.99191	0.6
73.02824	1.1
83.01292	2.1
85.02854	1.5
87.00761	0.5
87.92411	1.1
91.08247	0.5
92.28720	0.5
93.03360	20.5
94.03705	1.0
96.96848	0.8
99.00774	2.8
103.91949	1.7
104.92738	0.5
108.05632	0.5
111.00781	3.9
111.04427	2.6
111.72152	0.5
129.01855	4.9
132.22003	0.6
160.89209	2.6
160.91722	1.2
161.89316	1.3
173.04507	28.8
174.04892	1.2
233.06767	1.4
233.15482	24.6
234.15846	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	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89785	0.2
59.01266	25.4
59.96603	0.4
60.01591	0.3
60.39746	0.2
60.97406	0.4
60.99192	0.3
67.01776	1.3
69.34132	0.2
69.34447	2.5
71.01273	0.6
74.98957	5.5
74.99348	0.4
75.00779	0.2
79.02795	0.3
91.02114	0.6
93.00035	2.8
93.03365	5.7
93.03922	0.4
98.20509	0.5
111.04434	0.7
113.99628	0.2
118.96183	0.5
134.99329	7.3
135.99232	0.5
136.97269	1.8
143.05261	0.4
149.00908	65.6
150.00871	4.9
150.98798	0.7
159.08466	1.7
161.06372	3.9
167.01909	0.3
172.75464	0.3
173.04524	7.1
174.04770	0.4
212.80865	0.2
215.05676	0.8
215.09277	0.3
217.07219	90.1
218.07330	10.0
233.10358	100.0
234.10509	12.0
235.08316	0.6
235.10754	0.3
240.01447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12165	0.2
59.01263	0.8
65.30782	0.3
69.24577	1.3
69.25004	1.4
71.01269	0.4
78.72839	0.2
84.24514	0.2
85.02861	0.3
85.93314	0.2
98.20504	0.5
100.21579	0.2
101.02387	0.3
134.03737	0.4
135.04466	0.6
148.05257	6.5
149.05843	0.3
149.09694	1.4
162.06778	0.3
176.08406	0.4
177.09175	36.3
178.09502	3.1
190.09970	1.5
191.10738	0.6
192.11530	30.4
193.11902	3.1
201.09111	0.4
203.07124	0.6
217.08702	3.2
218.09470	8.5
219.09929	0.6
224.10576	0.3
236.10556	100.0
237.10938	12.8
237.14578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
53.00198	0.9
57.03344	4.0
59.01271	1.8
60.77316	0.7
61.98706	1.2
69.03336	2.1
71.04900	0.8
71.56159	1.0
81.03351	1.1
83.04926	5.7
95.04942	3.5
95.05827	0.7
97.06487	20.9
99.92492	2.0
109.06483	1.2
123.08098	1.4
125.05956	0.8
125.09618	1.4
133.10089	3.4
135.08115	1.9
149.09647	2.8
151.11220	100.0
152.11562	6.8
163.07590	0.8
163.11264	0.9
165.12770	1.1
173.95624	0.7
181.08719	2.0
183.13860	5.9
186.12488	0.7
195.10223	12.5
196.10565	1.6
209.11810	12.1
210.12186	0.9
213.11293	4.8
219.92490	0.8
227.04868	17.1
227.06964	1.3
227.09155	1.4
227.10785	1.6
227.12881	23.3
227.16408	4.2
227.20117	8.3
228.05092	1.4
228.13155	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03320	0.7
59.01261	0.7
71.01218	0.4
83.04909	0.9
97.06431	0.4
99.92498	0.4
102.39899	0.3
111.08040	1.2
111.80778	0.3
165.12799	20.5
166.13144	2.3
170.78355	0.4
183.13870	100.0
184.14227	8.0
191.10670	0.5
199.13367	0.5
209.11823	7.8
210.12054	0.7
227.12901	23.6
227.16576	1.4
227.20102	2.3
228.13177	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.2
59.01261	0.5
61.98714	0.4
65.01323	0.4
65.99744	0.2
69.03342	0.5
70.92648	0.6
71.01234	0.2
71.04892	0.5
74.64571	0.3
80.02579	1.8
81.03344	1.8
83.01269	0.6
83.04913	6.8
84.02061	4.0
93.03315	0.4
95.04913	1.1
109.06523	0.3
109.69365	0.2
111.08054	0.3
125.05991	0.8
125.09665	0.4
130.04001	0.2
132.05603	0.2
135.08095	1.0
139.11221	0.2
147.11736	0.3
150.96138	0.2
153.12766	0.3
155.14445	0.2
163.11229	5.2
164.11555	0.5
165.12804	3.6
166.13100	0.3
181.12321	0.8
183.13853	0.5
191.10751	1.5
199.13365	0.8
201.07735	0.4
209.11815	100.0
210.12167	9.4
210.14232	0.3
227.07277	0.3
227.09328	0.5
227.12903	4.7
227.16547	0.8
227.20216	1.3
228.08939	0.3
228.13248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84655	0.3
59.70229	0.3
70.27138	0.3
71.04884	0.6
71.45573	0.7
80.02568	1.9
81.03350	2.0
83.01282	0.4
83.04913	6.1
84.02063	4.7
84.05251	0.3
95.04910	0.8
100.45094	0.3
109.06516	0.7
125.06019	0.6
135.08037	1.0
147.11696	0.5
163.11238	5.7
165.12793	4.0
166.13199	0.3
181.12349	0.7
191.10747	1.6
209.11813	100.0
210.12154	9.7
227.12839	3.6
228.13309	0.3
235.90376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2018
Annotation	Myristic acid
Peak:m/z	Relative Intensity
61.67520	0.2
70.73391	0.5
74.40672	0.2
99.92483	0.4
153.34622	0.2
173.67407	0.2
183.13904	0.3
209.11757	0.4
227.20181	100.0
228.20528	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.27649	0.3
57.03338	0.5
59.01269	0.5
61.98713	0.3
93.34836	0.3
129.05469	0.4
139.11186	0.6
165.12807	0.9
167.14365	27.8
168.14668	2.2
185.06067	0.4
185.15373	0.9
202.01239	0.3
211.13391	24.9
212.13722	1.7
229.14459	100.0
230.14798	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	223.134
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.03333	0.9
59.01266	5.3
69.03342	4.5
70.64091	1.0
70.64451	0.9
71.01271	0.5
71.04900	1.9
79.98082	0.5
80.17715	0.4
83.04918	1.0
85.06487	1.5
86.77480	0.5
95.04947	1.1
108.05750	0.7
109.06506	1.2
125.09655	0.5
130.85254	0.5
141.09096	0.7
149.09665	1.5
153.09135	0.6
161.13264	1.0
167.10733	7.7
168.10930	0.5
177.12852	1.3
179.10777	2.5
179.14372	9.4
180.14722	0.8
187.11229	0.5
193.01271	0.5
195.13885	24.0
196.14204	2.7
203.89851	0.4
205.12321	21.1
206.12631	2.5
208.03825	0.6
223.13400	100.0
224.13727	13.9
228.71272	0.5
236.68225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03334	0.3
57.03653	0.3
57.10599	0.3
59.01266	2.7
60.23863	0.3
62.18687	0.3
65.01334	0.4
69.03335	0.4
69.29766	2.2
69.30193	1.0
71.01270	0.3
73.73177	0.3
76.41978	0.3
81.03355	0.5
83.02942	0.3
83.04941	0.3
84.59394	0.3
93.03359	0.5
93.91872	0.3
95.04922	0.4
97.02252	0.6
97.02851	9.0
98.03188	0.3
99.00776	3.5
99.04414	0.3
109.06500	4.3
110.03635	3.1
121.06540	0.5
125.09609	1.2
135.08076	1.7
136.05196	1.9
142.02654	4.5
153.12816	2.1
156.05557	0.3
161.09642	1.2
163.11235	10.4
164.11606	1.0
179.10735	0.9
181.12302	29.4
182.12639	2.6
197.11772	2.4
207.10249	62.0
208.10603	6.7
225.11324	100.0
226.11665	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	226.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70572	0.7
55.01773	1.4
57.03335	10.5
58.02851	1.1
59.01273	4.8
67.01774	1.1
68.99689	5.0
70.29845	2.7
71.01273	27.6
72.99212	1.8
73.02831	5.8
83.01274	11.1
85.02843	10.2
87.00773	4.7
94.06528	1.5
96.95924	2.4
98.02410	0.9
98.20558	1.1
99.00780	45.0
100.01111	1.9
101.02342	1.9
111.00793	37.3
111.04421	1.0
112.01136	1.5
112.04730	0.9
112.98719	100.0
113.99052	2.8
115.00285	3.1
122.06043	8.9
129.01866	18.4
142.99820	8.6
145.01378	1.4
150.66034	1.0
166.05066	3.6
173.00877	33.7
174.01208	1.9
184.06134	1.5
191.01942	6.5
198.12459	0.9
208.98695	1.3
223.60426	0.9
226.99654	11.1
227.05756	1.2
228.05113	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	226.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70572	0.7
55.01773	1.4
57.03335	10.5
58.02851	1.1
59.01273	4.8
67.01774	1.1
68.99689	5.0
70.29845	2.7
71.01273	27.6
72.99212	1.8
73.02831	5.8
83.01274	11.1
85.02843	10.2
87.00773	4.7
94.06528	1.5
96.95924	2.4
98.02410	0.9
98.20558	1.1
99.00780	45.0
100.01111	1.9
101.02342	1.9
111.00793	37.3
111.04421	1.0
112.01136	1.5
112.04730	0.9
112.98719	100.0
113.99052	2.8
115.00285	3.1
122.06043	8.9
129.01866	18.4
142.99820	8.6
145.01378	1.4
150.66034	1.0
166.05066	3.6
173.00877	33.7
174.01208	1.9
184.06134	1.5
191.01942	6.5
198.12459	0.9
208.98695	1.3
223.60426	0.9
226.99654	11.1
227.05756	1.2
228.05113	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01246	0.9
60.31958	0.4
61.98709	0.8
66.00857	0.4
66.03370	0.6
67.03206	0.4
69.34597	4.5
83.04922	0.7
83.71009	0.4
85.02861	0.6
93.03363	0.6
97.06565	0.4
105.44976	0.4
106.47778	0.5
106.57578	0.4
106.90050	0.4
110.89521	0.4
120.39964	0.4
129.03548	0.4
144.05621	0.5
149.53618	0.5
151.11232	0.6
169.12263	0.8
171.06654	0.4
183.13866	23.0
184.14186	2.4
185.06064	0.4
185.33331	0.4
195.13879	19.4
196.14186	2.1
213.01903	0.5
213.14954	100.0
214.15320	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	215.1288
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
56.63139	0.3
57.03340	1.0
59.01255	1.6
59.01538	0.3
61.98720	2.1
65.01316	0.6
71.01276	0.5
71.57159	0.3
76.68209	0.3
79.95609	0.5
83.04944	0.4
89.02346	0.8
93.03365	0.6
106.04028	0.5
122.89314	0.6
125.09621	1.0
144.00842	7.4
145.01125	0.4
151.11205	0.8
153.12787	35.8
154.13112	2.4
171.01901	0.8
171.13939	0.6
172.00357	0.4
172.05283	1.5
173.04698	0.7
186.89662	0.4
187.03812	0.5
189.07849	0.5
197.11815	25.1
198.12134	2.4
200.02905	0.8
200.04767	15.2
201.05119	1.4
215.00992	47.7
215.03351	1.4
215.07140	61.4
215.12868	100.0
215.99280	0.3
216.01277	5.0
216.03131	0.4
216.07454	6.2
216.13213	9.2
232.03767	6.9
233.04185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
59.01263	7.9
61.98725	0.6
62.96309	0.5
64.71497	0.3
65.01337	0.8
65.99731	0.9
69.55316	2.3
69.55726	0.9
91.02885	0.4
95.02478	0.4
106.04050	0.3
107.02411	0.5
109.03944	0.4
115.00249	0.5
119.03651	0.4
120.01920	0.4
121.03975	0.6
122.03545	0.5
125.09657	1.3
127.03928	0.5
127.11196	1.9
132.05603	0.5
134.03513	0.6
137.09653	2.7
145.02855	1.1
148.05104	0.8
153.09157	0.5
155.10716	29.4
156.11038	2.0
160.05060	0.6
171.10223	39.0
172.10577	2.9
173.02393	1.0
174.99223	1.8
175.06216	0.7
181.08640	0.6
189.05507	0.5
190.06178	1.0
191.05701	0.9
199.09740	5.5
216.26225	0.4
217.00081	1.9
217.04205	3.8
217.10805	100.0
218.00775	0.4
218.04527	0.8
218.11160	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	219.0816
Annotation	H-Met-Ala-OH
Peak:m/z	Relative Intensity
59.01266	0.3
61.98722	0.3
64.42770	0.0
64.97282	0.1
71.01295	0.1
75.00774	0.1
79.30627	0.0
93.03355	1.2
94.03716	0.1
98.19786	0.1
103.70380	0.1
125.81887	0.1
130.04301	0.0
147.04427	0.0
165.07103	0.4
191.08629	0.7
192.09019	0.1
193.06528	0.4
218.07451	0.1
219.08153	100.0
219.17480	1.4
220.08482	12.4
220.17903	0.1
224.13763	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	221.0303
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
50.14760	0.4
51.61251	0.4
57.03337	0.5
59.01263	100.0
60.01592	1.8
60.99183	1.2
64.95135	1.6
65.63608	0.4
71.01266	7.7
71.20299	0.9
72.99195	12.7
73.02836	4.0
75.00774	2.3
78.98486	0.5
83.01305	1.7
85.02835	3.6
87.00788	2.0
89.02323	4.3
95.01341	0.5
97.02822	0.6
99.00786	0.8
101.02336	6.6
105.01845	1.1
113.02347	3.6
115.00313	2.0
117.01868	0.6
123.04493	0.7
129.01889	0.7
131.03456	2.0
131.55626	0.5
132.87991	0.4
133.01358	4.2
135.02971	0.4
135.04529	0.6
145.01364	0.8
150.05583	1.4
151.07721	0.5
159.02895	0.6
161.04497	6.3
190.99919	1.3
203.01964	0.5
206.02255	0.8
206.09418	0.6
206.12508	0.5
221.00967	0.5
221.04747	0.8
221.06557	0.9
221.08478	0.8
221.11864	1.5
221.15341	2.0
221.17975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71405	0.6
55.01769	3.9
57.03336	19.9
59.01263	12.0
62.17999	0.7
67.01761	0.8
68.99696	1.6
69.91949	4.2
71.01271	17.2
72.01581	0.7
72.99197	8.4
73.01073	1.5
73.02831	3.4
75.00765	8.3
75.83379	0.7
78.95807	2.3
81.03355	2.5
83.01277	12.5
84.02073	1.6
85.02843	100.0
86.03168	2.9
87.00780	5.5
89.02353	0.8
91.02113	2.3
98.20512	1.0
99.00782	4.7
101.02342	10.4
103.00294	1.7
103.03893	1.0
111.00790	45.1
112.01136	1.4
112.98718	3.1
113.02382	1.8
115.00259	0.9
120.99582	8.0
125.02373	8.7
129.01863	34.8
130.02177	1.5
135.01152	9.5
135.04758	3.3
143.03424	1.8
145.01335	0.9
147.02928	9.2
161.04507	3.2
184.59477	0.7
187.02457	2.6
191.01878	1.4
193.01375	0.9
205.03525	45.5
206.03859	3.3
208.03770	0.8
223.02805	5.1
223.04608	54.2
223.13255	1.0
224.04997	2.4
235.27534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
52.91433	0.3
53.08900	0.2
55.01768	1.9
57.03338	1.8
58.01551	0.2
59.01264	1.5
62.32979	0.2
66.03363	0.3
69.03355	0.9
71.01278	0.9
71.04909	0.8
71.58797	0.3
71.59195	0.4
80.02570	0.8
81.03350	3.7
83.01282	24.9
83.04920	3.2
84.01604	0.7
84.02069	1.2
87.82887	0.2
92.99706	0.3
93.03360	0.9
95.04935	1.7
96.85758	0.3
97.02847	0.4
97.06490	3.8
99.00769	0.4
99.04433	0.3
106.04181	0.2
107.04927	0.3
109.02794	0.3
109.06545	0.6
111.00774	0.3
111.08062	0.6
121.02878	27.5
122.03111	1.3
123.04466	0.4
123.08100	2.2
124.03981	1.3
125.06013	0.5
125.09647	21.9
126.10008	1.3
135.08070	2.1
135.64922	0.2
136.01596	0.4
137.02393	0.3
137.06001	0.4
137.09557	0.2
142.02684	0.3
147.11685	1.3
149.09659	0.4
159.16336	0.3
163.11243	9.6
164.11589	0.9
165.05522	0.4
165.09125	0.5
165.12805	3.5
167.10786	0.4
171.52759	0.3
173.09688	0.4
178.99773	0.3
179.03453	0.8
181.12296	1.5
188.16463	0.2
189.92543	0.2
191.09039	0.5
191.10760	7.2
192.11095	0.8
194.02225	0.5
202.79272	0.3
209.04587	5.1
209.11824	100.0
210.12151	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	209.1183
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03340	3.9
59.01266	100.0
60.01603	1.5
64.82807	0.4
69.59650	2.4
69.60067	0.9
80.02568	0.9
81.03355	1.5
95.04931	0.7
97.06496	3.6
109.06505	4.7
110.06831	0.6
117.34906	0.4
121.02874	7.2
122.03204	0.5
165.12820	5.0
194.02133	0.4
209.04549	0.8
209.11815	19.6
210.12177	2.0
218.49976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01254	1.1
61.98714	1.0
69.03329	0.8
70.83216	1.1
72.99170	0.4
81.03325	0.5
83.04910	0.5
95.01250	0.3
99.50057	0.4
121.02785	0.6
123.03495	0.4
123.08018	0.4
125.09687	0.4
129.60757	0.4
137.02382	0.7
151.06050	0.4
155.10670	0.5
161.96423	0.3
165.12665	0.4
166.91035	0.6
167.10699	2.1
167.14336	1.5
183.13879	13.3
184.14194	1.0
193.12328	3.4
194.12621	0.4
196.03749	0.8
211.13388	100.0
212.13733	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	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03313	0.4
59.01270	0.6
61.98711	0.7
65.01321	0.3
69.03355	0.5
69.62133	0.3
70.88706	1.1
77.00524	0.3
83.04945	0.4
87.00778	0.4
88.58102	0.3
94.69244	0.4
97.06508	0.9
106.04092	0.3
137.09694	0.4
149.41632	0.4
151.11218	13.1
152.11559	0.9
153.09103	0.5
169.12291	100.0
170.12631	8.0
171.06638	0.4
187.06232	0.8
195.10184	0.8
209.94691	0.3
213.01741	0.5
213.11316	23.0
213.14868	1.6
213.18456	0.4
214.07298	0.5
214.11607	2.5
227.32066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
51.37886	0.5
57.04548	0.5
58.02864	46.1
59.01265	6.6
59.03195	1.0
65.01331	0.8
65.99747	0.8
70.02869	11.9
70.03226	1.0
71.01275	0.7
71.08215	1.4
72.00791	5.0
80.18048	0.6
80.55082	0.5
85.02856	1.2
91.05425	6.1
93.03357	0.7
128.63162	0.6
129.01883	1.6
135.04477	1.9
136.05032	0.7
147.03088	1.1
147.04456	34.2
148.04823	2.1
155.24466	0.7
162.09204	0.9
164.07118	100.0
165.07491	6.9
177.01895	1.6
192.04254	2.4
199.03136	0.5
206.08208	45.3
207.06667	1.9
207.08542	3.9
207.10347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1026
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
57.03339	3.7
57.10251	0.8
59.01263	42.4
61.98722	1.9
65.01340	1.2
65.99739	1.7
67.01774	1.8
68.99702	0.9
69.27468	7.9
71.01264	2.1
72.50920	0.8
73.02842	0.7
75.00762	3.0
76.84858	0.9
79.05396	1.4
80.02545	1.4
80.28140	0.6
81.03352	6.2
81.04459	0.8
81.54452	0.7
82.04025	1.2
85.02848	2.3
91.01771	0.8
91.02918	0.9
93.03356	51.6
94.03697	2.8
95.04918	15.6
96.05280	0.9
97.03963	1.0
99.00768	1.0
101.02343	1.2
106.04115	1.1
107.04940	14.2
108.02071	2.4
108.52013	0.7
109.06496	6.1
112.70916	0.8
117.01887	0.9
119.04940	0.9
121.02882	1.5
121.06506	3.2
121.10079	1.0
122.03546	0.8
123.04388	1.3
129.01889	5.4
135.00800	1.0
135.04410	1.3
135.08101	1.4
136.05121	1.3
137.09561	1.5
139.76656	0.9
145.10138	2.1
147.02890	4.9
148.05112	0.9
148.08884	1.7
149.02357	3.4
149.09695	0.9
161.04375	1.4
161.09685	1.4
163.00311	1.2
163.11232	100.0
164.04637	0.9
164.11580	10.3
164.89452	1.3
177.01900	15.1
178.02217	1.3
181.05208	1.4
192.00594	1.7
192.04260	16.9
193.04597	1.7
206.99292	0.9
207.01321	1.0
207.02960	3.9
207.04936	1.0
207.06842	6.7
207.10248	41.1
207.13525	1.6
208.06340	1.5
208.10544	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03334	2.3
58.00492	0.9
59.01267	6.4
59.90775	0.8
61.98719	1.5
67.75195	0.8
69.03336	1.4
69.31873	0.8
71.01274	7.4
71.56695	1.2
71.57047	0.8
73.02829	0.9
76.99959	0.8
81.03343	2.1
83.01282	6.6
83.04922	2.6
85.02876	0.9
91.01796	1.2
93.03347	1.7
94.02874	1.4
95.04930	1.9
96.50086	0.8
96.95925	0.8
97.06477	3.6
109.02839	1.0
111.08073	1.8
118.94141	1.6
120.02077	0.9
121.02874	100.0
122.03183	5.5
123.04443	1.3
124.03949	4.8
125.02394	1.0
125.09657	6.1
130.70129	0.9
135.04401	0.9
137.05980	0.9
142.72310	0.9
149.09727	1.0
151.11203	9.8
161.02356	0.9
163.11272	4.8
164.94089	1.0
164.98224	1.2
165.01845	1.0
165.05519	1.2
165.09178	1.2
165.12819	11.1
173.09645	1.3
178.99777	0.8
179.10728	3.6
181.12314	14.6
182.12634	2.1
191.10725	8.2
193.50728	0.8
194.02190	2.6
194.05849	1.9
209.00838	1.3
209.04553	17.0
209.06392	1.7
209.08301	2.4
209.11816	68.0
209.94797	1.2
210.04723	0.9
210.12175	6.9
211.35269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
57.03333	4.1
59.01262	9.6
61.98708	1.1
65.03845	0.8
69.03341	17.7
70.28552	1.3
70.28962	2.0
71.01255	1.3
71.04914	2.5
81.03326	0.9
83.04908	2.5
93.03355	2.5
95.04923	2.0
97.06507	1.0
103.24557	0.7
107.91531	0.7
108.05694	1.4
108.95257	0.6
109.06513	2.1
111.08087	3.5
121.02874	29.4
121.10172	1.8
122.03159	1.6
124.03999	1.4
127.07602	1.4
135.08101	1.5
137.09657	1.4
147.11739	2.2
153.09164	6.7
163.11220	3.0
165.09142	3.0
165.12794	16.7
166.13116	1.8
173.09700	1.3
181.12297	23.1
182.12585	1.5
191.10739	26.9
192.11046	3.5
209.04478	5.3
209.11815	100.0
210.12154	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01269	2.1
61.98713	3.8
70.81304	0.8
71.01296	0.6
72.32587	0.3
76.70888	0.4
83.01261	0.5
89.02343	0.5
94.02875	0.6
95.12745	0.3
96.95932	1.2
118.94099	1.3
120.02093	0.7
121.02874	39.1
122.03193	2.3
124.03961	2.0
126.90818	0.4
137.06032	0.5
138.56592	0.4
164.93962	0.6
165.01830	0.5
165.05534	0.4
165.09070	0.5
165.12799	0.7
167.03392	0.5
173.82407	0.4
179.03485	0.8
194.02151	1.0
194.05925	0.8
209.04526	6.8
209.11819	100.0
209.94928	1.5
210.04788	0.6
210.12152	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60778	1.6
51.95602	1.6
55.01773	8.4
57.03329	3.1
58.00474	4.3
58.83163	1.8
59.00957	2.6
59.01263	75.8
68.99712	9.0
70.05484	6.7
71.01270	83.2
72.01576	1.9
72.16801	1.5
72.98788	3.0
72.99197	48.9
72.99590	3.9
73.02845	11.7
75.00761	37.1
81.03372	2.8
83.01277	13.9
84.99227	2.4
85.02837	12.5
85.57616	1.5
87.00774	45.3
89.02332	5.6
96.99200	6.1
99.00779	38.7
100.01169	2.8
101.02346	6.7
103.00268	7.3
104.13658	1.5
105.01849	2.3
111.00790	26.3
112.98711	10.3
115.00285	100.0
116.00645	2.9
117.01840	15.1
119.59079	1.8
124.98715	11.7
125.02383	10.9
126.02634	1.6
127.00302	11.0
129.01852	19.3
130.99792	11.1
133.01405	2.3
142.99797	18.9
144.00552	2.3
145.01384	21.9
154.99785	17.0
157.01324	3.5
159.02893	2.0
173.00891	4.3
175.02422	8.5
205.03566	12.3
206.04315	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	11.8
57.03329	9.3
58.00489	2.6
59.01262	85.3
60.99184	4.9
62.55786	1.8
63.85564	1.8
65.00180	2.2
66.12101	2.0
67.01779	3.8
68.99701	11.8
70.06071	8.0
71.01266	99.4
72.01611	2.3
72.99197	68.1
73.02836	11.0
75.00759	47.3
83.01279	19.5
85.02836	22.6
85.03304	2.6
86.03144	2.2
87.00765	51.0
89.02334	8.4
93.03414	2.2
96.99208	7.6
98.19950	3.1
99.00770	46.8
100.98688	3.0
101.02338	12.2
103.00297	10.4
111.00777	20.4
112.98727	10.9
115.00283	100.0
116.00610	2.5
117.01828	14.9
119.42857	2.4
124.98696	11.0
125.02367	4.2
127.00294	11.8
129.01866	20.4
130.99803	10.8
133.01323	6.6
142.99800	27.5
145.01361	29.7
154.99779	10.9
157.01418	3.2
162.36108	2.3
163.11230	2.3
173.00726	5.0
175.02441	11.0
182.20338	2.6
205.03452	8.2
205.05162	5.0
205.12308	4.4
205.15939	12.7
206.04376	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
56.05599	0.1
57.44800	0.1
58.02862	0.1
59.01262	1.7
61.54530	0.1
61.98708	0.2
67.73182	0.1
69.37593	0.1
71.01268	0.5
72.99205	0.2
75.00777	0.2
85.02853	0.5
87.00781	0.2
88.99018	0.1
99.00759	0.2
102.31960	0.1
108.03461	0.1
109.02840	0.1
115.00294	0.5
121.56411	0.1
124.98795	0.2
130.22473	0.1
133.02917	0.2
133.06520	0.2
135.51280	0.1
149.42055	0.1
161.02391	0.2
161.06047	0.2
162.01660	0.1
162.89302	0.3
164.07082	0.3
189.12863	1.3
190.02629	0.2
205.15965	100.0
206.08240	0.1
206.16312	12.3
210.89406	0.1
229.23380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75574	0.4
53.35641	0.4
58.02859	30.5
59.01271	2.1
62.83318	0.4
70.02866	12.9
71.07188	0.8
71.07532	0.5
71.79177	0.4
72.00781	4.5
80.53136	0.4
91.05421	8.5
92.05750	0.6
104.15134	0.4
135.04446	1.0
147.04445	34.4
148.04800	2.4
162.09192	1.8
164.07112	100.0
165.07463	7.7
177.01894	1.1
190.86147	0.4
192.04254	1.1
206.08205	47.0
207.06688	0.8
207.08517	4.6
216.58295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03344	6.3
59.01266	18.7
60.01565	0.6
65.01351	1.8
65.99744	1.2
66.00879	0.5
69.03368	0.7
71.01294	0.6
71.04905	0.6
71.56413	0.9
82.02863	0.7
82.04025	0.8
83.04949	0.6
85.02862	0.6
85.06436	0.7
85.90665	0.5
87.04441	0.5
99.92501	1.6
105.04467	0.7
106.04036	0.9
111.08035	4.1
113.02399	0.8
119.02530	0.6
121.02782	0.8
121.05125	0.5
125.09640	1.3
132.05626	2.0
133.04039	1.0
133.05072	1.0
134.03535	2.1
137.09680	1.8
139.11223	80.4
140.11569	5.8
141.93556	2.8
147.05519	0.6
148.05124	1.2
157.12263	1.7
159.06686	0.8
160.05087	0.9
162.05443	0.6
173.06009	1.3
174.06670	2.0
175.06236	2.9
183.10240	33.5
184.10580	2.5
201.02426	2.1
201.04060	2.2
201.05554	1.3
201.11307	100.0
202.05067	1.8
202.07448	1.3
202.11630	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0196
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
57.03337	2.0
57.98361	1.0
59.01255	4.9
60.99184	1.6
68.12214	1.1
69.02960	2.4
69.03342	50.0
69.74202	3.6
69.74615	4.3
70.03671	1.4
71.00897	2.5
71.01270	38.7
72.99200	7.5
72.99546	1.2
75.00760	3.1
79.01794	6.5
83.01281	2.1
85.02846	6.4
87.00776	9.8
95.01266	7.6
97.02855	68.2
98.03204	1.8
99.00790	2.2
103.91929	2.2
111.00787	1.7
113.02365	2.2
115.00300	8.3
123.00801	4.0
127.10839	1.3
129.01888	4.3
141.01866	14.7
149.77791	1.3
159.02957	2.8
185.00874	1.6
187.02565	1.5
203.01956	100.0
204.02341	4.8
204.08818	1.9
219.52550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55131	0.7
55.01772	1.2
57.03320	2.4
59.01262	10.0
60.99190	1.4
67.01775	1.9
69.03340	56.1
70.03671	1.5
71.01267	36.0
71.20148	1.5
72.01575	0.9
72.99198	6.1
75.00752	3.8
79.01776	3.1
83.01251	1.2
85.02844	6.6
87.00767	11.3
87.04385	0.7
95.01277	7.3
96.96881	0.8
97.02848	73.0
98.03171	3.0
99.00792	3.5
101.02326	0.8
103.91935	11.4
104.97649	2.4
105.01823	1.1
105.25905	0.6
106.94260	1.0
111.00788	2.8
113.02330	2.9
115.00291	7.0
115.03911	1.2
117.01849	0.9
123.00751	3.4
129.01868	4.7
130.94322	4.4
130.95135	0.7
131.03418	1.0
132.06624	0.7
141.01862	20.9
142.02180	1.4
148.95389	7.1
159.02927	1.9
177.94623	0.6
202.92595	1.1
202.94154	2.3
203.01947	100.0
204.02374	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	199.1338
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03331	0.6
59.01259	1.8
61.98711	1.6
65.01328	0.9
69.03323	0.3
71.01271	0.5
71.04911	0.8
71.30648	0.5
72.99115	0.3
73.02827	0.4
83.01263	0.7
83.04895	0.4
85.02835	0.7
92.02472	0.4
99.00769	1.1
99.08081	0.5
103.02989	0.3
105.04523	0.3
106.04020	0.7
109.06587	0.4
111.00759	0.5
111.04408	0.4
113.02334	0.6
127.03928	0.7
130.04004	1.0
134.03584	0.4
137.06041	0.4
137.09669	0.5
145.04005	0.4
155.10744	1.2
156.89397	0.9
157.05093	0.5
159.03072	0.4
162.83827	0.4
163.11243	1.0
164.83559	0.6
169.12292	5.6
170.12634	0.5
172.05130	1.1
173.04663	0.8
181.12302	19.7
182.12569	1.5
187.93544	0.3
197.11839	1.8
199.06177	1.1
199.13379	100.0
199.80490	0.5
200.03516	0.4
200.13731	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	203.0825
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
59.01268	5.1
63.36423	0.7
69.42951	0.7
69.99764	3.2
71.01266	1.6
72.00794	23.7
72.39194	0.7
74.02360	32.6
75.00759	0.7
77.31544	0.7
83.31511	0.6
97.02875	0.8
99.63615	0.7
110.82451	0.6
116.04974	100.0
117.05312	7.5
130.06566	3.1
132.08066	0.7
133.64453	0.6
140.98250	0.6
142.06561	29.0
143.06895	2.6
159.09230	15.1
159.13609	0.6
160.09590	1.0
161.04710	0.9
186.05505	3.5
203.08250	64.8
204.08566	5.3
219.96573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1388
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01263	6.6
59.78173	0.2
61.54651	0.2
61.98707	0.6
66.60020	0.2
68.99689	0.2
69.88249	0.4
69.88663	0.7
71.01259	0.6
73.02830	0.3
82.51212	0.2
85.02861	0.4
89.02328	0.4
94.04158	0.2
96.95281	0.2
96.95914	0.6
109.02831	0.3
109.06499	3.2
110.06839	0.2
111.08064	3.2
112.08406	0.2
122.03639	0.3
123.04410	0.4
125.09653	0.6
135.06516	1.0
135.11703	0.4
137.02341	0.2
138.06775	0.4
139.07556	0.4
150.03133	0.5
151.03976	0.5
151.11192	0.7
152.91731	0.8
158.84470	0.2
160.84157	17.4
165.01900	0.3
165.05536	0.3
165.12857	0.3
167.14360	5.7
167.90321	0.3
168.14719	0.5
179.10716	4.0
180.04259	0.6
180.11368	0.5
195.13881	100.0
195.81071	8.1
195.82878	0.2
196.14230	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.92361	0.4
53.09159	0.4
57.03327	0.5
59.01262	3.3
60.99188	1.8
61.98709	0.9
62.00905	0.4
65.01331	0.6
66.05537	0.4
67.01812	0.4
69.03336	1.2
71.01279	1.0
71.59423	0.6
72.99201	0.5
77.60797	0.4
81.03337	0.5
82.02898	0.5
82.41856	0.4
83.01249	0.7
83.04919	1.1
85.06483	0.4
91.04575	0.4
95.01282	1.1
95.84769	0.4
97.02856	0.5
97.06480	0.5
106.03960	0.5
109.02859	0.7
109.06490	0.4
111.00747	0.4
111.04436	0.5
112.01575	0.6
112.03959	0.8
121.02838	1.1
123.00796	4.6
125.02395	1.0
125.06000	0.5
125.09650	0.8
126.90384	1.1
135.08028	0.6
137.02370	0.7
138.03113	1.2
139.00317	0.6
141.09055	0.6
144.05670	0.8
151.11241	1.2
153.01932	0.6
153.05539	1.7
153.09158	2.7
153.12787	8.4
154.13115	0.6
156.05641	0.6
157.05101	0.7
160.84177	1.2
162.83867	3.1
166.99854	4.2
169.12292	14.0
170.12617	1.3
171.06731	3.2
171.13893	1.9
179.10722	1.4
182.02165	8.4
188.06422	0.4
197.04643	3.2
197.11807	100.0
197.80792	2.0
198.01727	0.4
198.04030	0.9
198.07825	1.3
198.12155	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	191.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82876	0.2
52.96465	0.2
53.57138	0.2
57.03335	6.8
59.01267	1.8
67.01775	2.8
67.79697	0.2
71.01294	0.3
71.35031	0.7
73.02805	0.3
77.92410	0.2
85.02840	30.4
86.03182	1.1
87.00769	46.3
88.01083	1.1
88.26604	0.2
93.03329	0.3
95.57315	0.2
101.02373	0.4
103.03902	0.5
111.00787	100.0
112.01126	4.1
127.03984	0.2
129.01854	5.2
130.02228	0.3
130.99797	0.5
147.02948	0.4
154.99879	0.5
173.00842	2.2
176.01083	0.3
191.01945	13.4
191.05542	3.6
192.02309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0347
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03334	0.9
59.01263	6.5
65.99703	0.3
67.01776	0.5
71.01266	0.6
71.53963	0.2
72.99212	0.2
73.02821	0.4
77.03862	0.2
81.04469	0.2
82.74615	0.2
83.01283	0.3
83.04915	0.3
84.02052	0.2
85.02843	8.3
86.03190	0.4
87.00771	5.4
92.15964	0.2
93.03367	1.9
97.69994	0.2
98.19768	0.4
99.04478	0.3
99.57000	0.3
100.11384	0.2
101.02345	0.3
104.02566	0.3
106.04038	0.3
109.02843	0.5
111.00787	12.8
111.04434	0.7
112.01128	0.3
119.04967	2.2
121.02870	100.0
122.03199	6.6
127.03932	0.9
129.01912	0.6
131.03439	0.6
135.04478	0.4
147.00830	0.5
147.04443	7.1
148.01543	0.3
148.04831	0.6
149.08279	0.3
158.38303	0.2
159.14328	0.2
163.03935	0.7
164.04614	0.3
171.03052	0.3
173.00858	0.3
173.04483	0.4
176.01093	1.3
191.01917	1.8
191.03506	10.6
191.05589	24.5
191.10744	0.8
192.03902	0.6
192.05983	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	193.0504
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
59.01265	3.9
65.01323	0.8
65.99744	0.8
67.02894	0.4
68.01286	0.4
69.03348	1.2
70.06660	2.1
71.01275	4.4
72.99220	0.6
73.02838	5.3
75.00771	0.4
81.03336	0.6
82.03983	0.7
83.01278	1.1
83.02428	0.6
85.02839	5.4
86.00011	0.7
87.00762	3.7
89.02334	0.7
89.03864	0.6
91.02922	0.6
93.03360	1.6
95.01286	1.0
97.02859	1.9
98.02383	0.5
99.00781	4.9
101.02338	7.1
102.07389	0.4
106.04118	2.4
108.04497	0.6
109.02866	1.1
111.00790	1.8
112.84768	0.4
113.02364	1.7
117.03350	0.9
121.02888	3.6
123.00816	0.6
123.04470	0.5
123.05563	0.7
124.05074	0.9
125.02357	1.7
125.03371	0.4
133.02890	5.9
134.03665	100.0
135.04001	7.0
136.03972	0.5
137.02374	19.7
138.02713	0.8
139.02896	0.5
139.03937	6.1
140.01057	0.5
141.01892	1.5
149.02380	1.2
149.06023	25.4
149.09698	0.8
150.03157	2.9
150.06430	1.7
151.05106	0.5
151.06293	0.4
151.07597	0.5
155.03458	1.2
161.04510	9.4
162.04843	0.5
165.01880	1.2
166.06171	1.2
178.02672	70.3
179.03027	4.4
191.05576	0.5
193.01372	1.7
193.05043	40.7
193.07118	6.3
193.08737	1.0
194.05554	3.8
194.07323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.9853
Annotation	Glycerate 3-phosphate
Peak:m/z	Relative Intensity
59.01260	0.9
59.22844	0.4
68.99701	0.8
69.03336	1.1
70.73936	1.6
72.62483	0.5
75.61414	0.5
78.95793	99.6
87.00740	0.5
90.05777	0.4
96.96863	100.0
97.06468	0.6
99.00835	0.5
109.02893	0.5
109.89673	0.4
110.98438	12.1
123.08067	0.5
125.02363	0.5
141.09175	2.5
166.45621	0.6
166.97488	1.6
184.98534	13.5
185.00780	0.9
185.02148	5.2
185.08118	1.3
185.11789	3.6
185.15453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0973
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
56.16189	0.3
57.03333	3.6
59.01258	0.3
61.98695	0.2
63.06606	0.2
63.94931	0.2
65.01328	0.4
65.99723	0.2
69.03334	0.5
69.15092	0.2
69.48958	1.8
76.02839	0.2
80.02563	0.3
83.04926	0.6
84.53108	0.2
91.02935	0.2
95.04927	0.7
97.06490	11.9
98.06845	0.7
103.24236	0.2
103.92915	0.2
123.08080	5.7
124.08508	0.3
125.09641	100.0
126.09972	7.7
133.03993	0.4
143.10701	2.0
160.05118	0.9
169.08665	2.3
187.09721	51.6
188.10063	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	188.0351
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.24400	0.3
59.01269	0.4
62.58044	0.3
65.99754	0.3
70.16228	1.4
85.02863	0.4
102.03400	0.6
111.00738	0.3
116.04955	0.4
117.03359	0.4
119.90703	0.3
126.09987	0.5
144.04488	100.0
145.03011	0.3
145.04840	7.6
159.03137	0.4
161.02374	0.4
174.22649	0.3
188.03439	3.4
188.07167	0.3
189.01865	0.6
189.03969	0.3
189.05519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0195
Annotation	D-Glucaro-1,5-lactone
Peak:m/z	Relative Intensity
57.03342	4.8
59.01263	1.2
67.01777	1.3
71.01263	1.1
71.26343	0.7
72.38117	0.4
72.99191	0.8
73.02811	0.7
73.20351	0.4
85.02845	29.7
86.03189	0.6
87.00772	44.7
88.01135	1.4
93.03358	0.4
96.25038	0.5
100.61208	0.5
101.02357	0.7
103.03901	0.5
103.48147	0.4
111.00792	100.0
112.01135	3.9
112.98693	0.8
117.01846	0.9
127.03950	0.8
129.01855	6.6
130.99852	0.7
145.86945	0.4
147.02898	0.6
152.22153	0.5
154.99821	1.3
173.00839	2.6
191.01959	14.8
191.05583	18.6
192.02295	0.7
192.05875	1.1
213.24724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0245
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
50.88714	8.0
59.01260	94.4
59.90374	11.5
64.20455	9.7
67.60678	9.4
68.99700	13.6
69.33012	9.5
70.60365	18.1
70.60691	11.4
71.01274	100.0
72.99198	14.0
75.00761	26.5
84.99149	8.9
85.02832	14.7
87.00773	91.5
89.59933	9.0
100.98705	63.5
101.02399	13.5
107.74468	8.2
115.00283	60.5
117.01871	14.9
124.98728	43.8
127.97471	38.5
133.04880	9.6
142.99815	19.4
148.05043	9.9
157.01324	12.6
175.02437	11.5
175.04004	8.9
175.06044	22.3
176.03409	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12788	5.4
59.01262	60.7
68.99697	8.5
70.96346	17.6
71.01257	37.9
72.56049	7.1
72.99195	10.9
75.00763	20.9
76.82233	6.1
85.02841	11.5
87.00760	44.3
97.26096	6.6
100.98721	100.0
115.00258	19.4
115.03918	9.2
124.98702	15.9
127.97433	74.4
130.99731	8.4
139.79147	6.3
142.99818	8.6
175.02489	8.2
175.06046	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	173.118
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.03329	1.1
59.01262	1.6
60.99195	2.1
65.01326	2.7
65.99729	1.2
67.01778	11.5
67.02930	0.3
68.02120	0.5
69.03336	2.1
69.57217	2.5
71.01268	3.9
71.04928	0.3
72.22416	0.3
72.99198	1.0
73.02863	1.5
73.50680	0.3
77.40612	0.3
81.03357	0.7
83.04930	1.0
85.02827	1.0
91.02945	0.7
93.03360	43.1
94.03703	2.6
97.02869	0.4
98.02368	0.4
99.00784	1.8
99.04417	0.6
101.02364	0.6
105.04511	0.6
106.04057	0.8
108.01957	0.5
109.02872	0.8
111.00815	0.6
111.04427	5.5
111.08045	1.4
112.04785	0.4
114.01825	0.3
115.00306	0.5
115.03911	0.4
116.03486	0.4
118.03994	0.5
119.02417	2.0
125.09672	0.4
127.11214	10.7
128.11559	0.7
130.04042	0.7
131.03587	0.8
132.05591	1.4
133.03987	0.4
137.02376	0.7
146.03537	2.9
146.35901	0.3
147.01959	0.4
155.03419	0.8
155.10706	2.6
159.03146	0.5
171.10263	1.1
173.04553	8.4
173.11792	100.0
174.03006	0.4
174.05377	0.4
174.06659	0.7
174.12125	8.5
191.10121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00200	1.4
55.01772	5.8
57.03337	6.4
58.02858	7.8
59.01263	7.0
60.99191	4.2
65.03846	0.8
67.01776	27.9
68.02116	1.2
68.99714	3.5
69.03347	6.1
69.89309	1.5
69.89726	1.6
71.01269	100.0
71.04903	0.8
72.01614	3.0
72.99201	6.7
73.02840	9.4
75.00755	1.2
79.99546	0.6
80.99711	1.4
81.03340	1.9
83.01285	7.4
83.04917	3.5
85.02845	17.7
86.06014	3.2
87.00774	3.8
88.03931	0.6
93.03359	89.4
94.03687	4.6
96.99191	2.6
97.02865	1.1
98.20620	0.7
99.00784	33.7
99.04413	2.0
100.01122	1.6
100.07586	10.7
100.98709	1.5
101.02339	3.1
101.07919	0.9
109.02876	1.0
111.00793	33.7
111.04427	10.7
111.08062	4.7
112.01151	1.3
112.03945	0.6
112.04702	0.7
112.98707	5.5
115.00282	2.4
124.98724	26.8
125.99081	0.9
128.07092	18.2
129.01859	5.9
132.06592	3.0
137.02382	2.5
142.99796	38.0
144.00116	2.1
154.99774	2.9
155.03426	1.6
173.00874	17.7
173.02351	1.1
173.04506	16.0
173.08119	2.2
173.11798	1.3
174.01648	1.1
174.05086	0.6
174.07669	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	173.0088
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
51.40473	0.5
53.00209	0.7
55.01768	3.4
55.69242	0.4
57.03330	3.6
58.00468	0.7
58.02848	1.9
58.10294	0.5
59.01263	6.5
60.99192	3.0
65.03831	0.7
67.01774	27.2
68.02113	1.0
68.99692	2.0
69.03340	4.6
69.76067	2.6
71.01269	59.9
71.04903	0.7
72.01598	1.5
72.99203	7.1
73.02829	10.5
74.03163	0.5
75.00771	0.8
80.99725	0.7
81.03337	2.1
83.01275	5.8
83.04917	4.7
85.02835	6.2
85.06485	1.3
86.06016	0.5
87.00788	4.4
88.01118	0.5
93.03356	100.0
94.03689	4.6
96.96885	0.9
96.99231	3.0
97.02898	0.5
99.00776	19.7
99.04436	2.4
99.94979	0.5
100.01115	0.7
100.07600	2.9
100.98712	3.1
101.02353	2.5
101.98348	0.5
109.02839	1.7
111.00790	11.0
111.04424	15.9
111.08063	3.9
112.04788	0.6
112.98717	14.1
113.02366	0.5
113.49248	0.5
113.99029	0.7
115.00281	3.4
115.03910	0.6
124.98727	13.0
125.99043	0.6
127.00294	0.6
128.07095	5.6
129.01820	2.5
129.05505	1.3
129.09204	0.5
131.07098	0.4
132.06546	0.9
137.02359	4.9
140.98196	0.5
142.99789	24.8
143.03465	0.5
144.00175	1.0
154.94679	0.8
154.99809	1.1
155.03413	2.9
158.99260	0.9
159.03053	0.6
173.00891	7.1
173.02357	0.8
173.04509	18.0
173.08023	2.4
173.11748	0.9
174.01767	0.9
174.04869	0.7
174.07634	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	173.0087
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.71730	1.0
53.00205	1.6
55.01771	5.5
57.03337	5.6
58.02867	16.8
59.01260	7.2
60.99184	1.4
67.01781	13.0
68.99714	2.5
69.03340	1.5
70.54949	1.8
70.55339	1.7
71.01270	86.3
72.01600	3.1
72.99197	6.4
73.02836	14.3
74.84494	1.0
77.47242	1.0
80.99694	1.6
81.03318	1.4
83.01283	10.9
83.04903	5.1
85.02846	100.0
86.03181	4.4
86.06007	7.1
87.00783	6.1
93.03358	42.8
94.03676	2.0
95.01225	1.1
96.96867	1.9
96.99226	4.2
99.00781	30.9
99.04402	1.9
100.01109	1.6
100.07578	18.9
101.02345	2.4
102.05496	1.2
109.02869	1.2
111.00790	48.6
111.04422	11.5
112.01077	2.1
112.98718	38.5
113.99061	1.6
115.00263	3.8
117.99915	0.8
119.16518	1.0
124.98728	18.5
125.99051	1.1
128.07098	44.6
129.01852	18.3
129.05527	2.5
130.02173	1.3
132.06592	9.3
137.02354	4.5
137.03310	1.0
142.99799	51.0
144.00168	1.7
145.01372	1.4
154.99792	3.1
155.03435	2.7
173.00873	15.3
173.03094	1.8
173.04514	32.3
174.01274	1.5
174.04941	2.2
174.07686	47.5
175.96001	1.0
187.46552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1023
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
50.02671	0.4
50.92820	0.3
57.91412	0.3
65.81997	0.3
70.07867	1.6
98.13459	0.3
99.08076	0.6
118.55776	0.3
123.08083	0.5
125.09641	2.3
127.07572	0.9
127.11210	5.7
128.11534	0.5
130.04004	0.4
137.07957	0.3
144.05615	0.3
153.09183	1.4
171.10220	100.0
172.10551	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	171.1022
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
53.56104	0.2
57.03342	0.3
59.01261	0.5
70.14497	0.9
70.52331	0.2
71.01273	0.3
73.60649	0.2
74.33344	0.2
75.95443	0.2
85.02861	0.3
88.98720	0.2
99.08045	0.6
109.02856	0.5
109.06426	0.2
125.09642	2.8
126.09982	0.5
127.03899	0.3
127.07567	1.3
127.11212	6.0
128.11548	0.5
130.08679	0.4
133.30829	0.2
144.04457	0.6
144.05516	0.3
153.09177	1.2
153.12871	0.2
166.72043	0.2
171.01970	2.0
171.10225	100.0
172.03992	0.5
172.06291	0.3
172.10571	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	164.0713
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.90229	0.3
59.01285	0.6
70.91951	0.8
71.01274	0.6
72.00795	37.3
72.99201	0.6
73.01138	0.9
77.03872	0.4
86.15337	0.4
87.00782	0.5
89.02383	0.6
91.05456	0.7
92.04965	0.8
93.03371	2.1
94.03621	0.3
105.01867	0.6
108.02032	0.5
109.02878	0.7
118.06512	0.5
119.04942	2.1
120.04478	2.0
120.05318	1.1
121.02879	7.6
122.03595	0.7
123.04445	0.4
128.63570	0.3
135.04480	0.8
136.03949	0.8
136.04895	0.4
137.02383	2.4
146.06046	0.7
147.04456	100.0
148.04791	7.9
149.00887	0.5
150.03102	1.8
150.14052	0.4
151.35789	0.4
152.25055	0.4
164.00935	0.5
164.03464	1.0
164.07115	49.1
165.01927	3.5
165.04247	0.5
165.05563	2.7
165.07468	5.1
165.08975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.04
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
55.01742	0.7
57.03317	0.9
58.00483	0.7
59.01266	8.2
60.62683	0.5
63.08950	0.5
63.97209	0.5
69.81879	3.0
71.01273	5.7
72.99197	4.1
73.02844	3.4
75.00763	23.3
75.01199	1.2
85.02872	0.6
87.00771	100.0
88.01115	2.8
89.02325	3.3
93.03352	1.2
93.13194	0.8
98.20567	0.7
99.00781	10.1
100.48924	0.5
101.02351	3.7
105.01842	82.2
106.02184	2.8
113.09351	0.6
117.01891	2.9
121.02875	3.0
126.32272	0.7
129.01857	2.2
135.02948	2.8
137.02353	1.1
147.02940	10.3
165.03998	69.2
166.04222	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	168.139
Annotation	Nitramine
Peak:m/z	Relative Intensity
52.56303	0.4
58.02863	100.0
59.01270	0.5
59.03195	1.9
61.98702	0.4
68.99725	0.5
69.03352	0.6
69.96355	1.6
70.02876	0.5
74.75261	0.4
87.00789	0.4
97.02862	0.8
109.02394	0.7
124.04806	0.6
125.02374	5.2
125.06017	0.5
125.09688	0.9
125.99595	0.4
132.86722	0.8
151.11258	0.8
153.01474	1.2
153.99078	0.4
155.99306	0.4
168.06615	0.4
168.13884	10.2
169.01413	2.9
169.05174	0.5
169.08693	0.4
169.12367	0.8
169.14279	1.3
171.07910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1023
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
60.17729	0.4
65.01335	0.7
71.58753	0.5
71.59101	0.7
78.10755	0.4
86.13148	0.4
113.83956	0.4
123.08066	0.4
125.09702	2.5
127.11216	5.4
128.11545	0.4
129.91052	0.3
134.54401	0.4
144.05612	0.5
145.03955	0.4
153.09167	1.6
171.10231	100.0
172.10576	8.6
191.26282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1022
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
55.01755	0.3
56.99902	0.2
59.01260	0.5
69.03358	0.2
70.50631	0.4
70.50982	0.5
71.01279	0.3
73.02843	0.4
79.02880	0.2
82.62346	0.2
98.19956	0.2
99.00763	0.3
99.08066	0.6
115.87103	0.2
123.08041	0.2
125.09641	2.7
127.07586	0.9
127.11211	6.1
128.11569	0.5
144.04456	0.4
153.09152	1.5
171.01936	1.6
171.10223	100.0
172.10564	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	145.0137
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
50.69120	6.1
57.03340	12.8
57.39360	5.6
59.01255	15.4
70.31519	14.8
70.31901	12.2
71.01273	48.4
72.99171	9.0
73.02839	8.3
74.02353	30.5
74.09558	7.1
83.01279	9.3
83.04926	15.3
84.04453	10.4
87.00763	43.5
98.02373	12.6
98.20464	7.2
99.00770	7.6
100.02124	6.0
100.16287	7.1
101.02330	31.9
101.05996	25.5
102.05508	100.0
115.00298	30.4
116.03407	7.2
118.02920	12.9
126.39494	6.0
127.00310	13.6
128.03461	43.4
144.96426	32.6
145.01375	20.9
145.03944	7.1
145.05013	17.0
145.08661	8.8
146.02432	56.6
146.04527	8.5
146.14380	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	146.0453
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
53.31250	1.0
57.03342	6.1
59.01266	18.0
67.01743	1.1
71.01269	16.0
71.04882	1.5
71.31805	1.8
72.99198	4.3
74.02363	4.4
75.00752	5.3
82.02866	1.6
83.01253	1.6
84.04427	2.2
85.02849	10.4
87.00774	4.6
89.02324	1.7
98.02333	1.4
99.00779	5.7
100.03923	1.0
101.02344	5.3
101.06003	1.5
102.05516	100.0
103.03905	3.6
103.05844	4.6
111.00781	1.3
128.03461	40.9
129.01869	12.9
129.03795	2.4
146.02393	3.6
146.04532	19.4
147.01903	1.0
147.02943	4.8
147.04561	1.4
147.06567	3.5
149.72356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.045
Annotation	D-ribulose
Peak:m/z	Relative Intensity
59.01267	11.1
65.01326	1.2
69.03333	1.4
69.35191	9.3
71.01268	32.9
72.99196	2.3
73.02838	17.5
73.77387	1.1
75.00769	4.0
76.01905	1.0
77.03828	1.4
81.31460	0.9
85.02843	2.2
87.00770	13.5
89.02338	100.0
90.02687	3.4
93.03370	2.0
95.04931	1.9
100.29374	0.9
101.02318	2.2
103.03930	6.8
120.05589	2.2
120.48251	1.0
121.02867	17.6
122.02427	1.4
122.03238	1.8
123.04424	2.6
126.14738	1.0
131.03429	9.7
146.60336	1.2
149.00826	1.0
149.01131	1.3
149.02518	10.8
149.04494	51.6
149.05934	3.8
150.00185	2.8
150.03038	2.3
150.05644	2.6
150.06622	2.5
156.39383	1.1
166.36848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0395
Annotation	Vanillin
Peak:m/z	Relative Intensity
50.60597	0.2
50.66684	0.2
52.44247	0.2
59.01255	0.6
65.01343	0.2
65.99729	0.3
66.03363	0.5
67.01781	0.2
67.02895	0.7
68.99686	0.2
69.03338	0.2
71.01263	0.5
71.36313	0.4
72.04433	0.4
76.47741	0.2
80.96433	0.2
81.04463	0.2
82.02863	0.3
83.01238	0.2
83.02413	0.3
95.01297	1.0
95.02394	0.2
101.02326	0.4
106.04027	0.3
107.04939	0.6
107.05653	0.1
108.02077	5.6
109.02937	0.2
109.03973	0.6
110.02377	0.4
110.03519	0.3
111.01908	0.3
122.03606	0.5
123.00753	0.5
123.04446	0.9
124.05020	0.2
125.03489	0.3
131.36093	0.2
134.03549	0.7
136.01593	100.0
137.01927	6.5
137.03000	0.2
151.03952	12.4
152.00117	0.3
152.03253	0.2
152.04431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40823	0.7
58.88763	0.7
59.01255	1.3
60.84228	0.7
61.30437	0.9
66.74883	0.8
69.86980	4.1
73.99561	0.7
86.95322	2.7
99.92484	34.9
100.92488	4.4
101.65832	0.7
114.94839	23.0
115.91955	1.5
115.94851	2.4
116.92772	100.0
117.92780	10.2
158.93852	15.4
159.94008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00202	10.9
55.01767	9.2
57.03347	3.7
59.01269	24.3
62.59488	2.6
66.08006	2.9
68.99717	5.0
69.03345	8.2
71.01267	100.0
71.04922	4.0
71.45522	4.1
72.01638	3.7
72.99202	9.1
73.02856	7.2
77.39773	2.7
80.99729	4.2
81.03316	5.5
83.01289	12.2
83.04910	6.5
85.02842	30.9
87.00768	24.6
89.01360	4.9
90.30611	2.8
96.99220	14.4
97.02859	9.7
97.06516	5.6
99.00789	6.3
99.04447	7.5
100.07649	3.7
101.02365	3.6
112.98717	19.0
113.02357	6.4
115.00261	6.2
116.02443	5.6
117.13721	2.6
124.98735	49.8
125.02372	13.4
125.99046	4.4
140.98248	7.1
142.99811	75.0
143.03448	21.9
143.07118	5.1
143.10712	29.0
144.00108	3.3
144.01949	4.7
144.04521	27.9
144.06549	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	145.0137
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01768	4.1
57.03339	11.2
58.00470	0.9
58.02855	1.0
59.01001	0.9
59.01271	13.7
66.83991	0.6
70.02856	1.2
71.01270	46.3
71.55981	1.0
72.01619	1.5
72.99205	9.2
73.02831	11.6
74.02359	7.4
81.03365	0.7
82.02873	1.0
83.01276	14.1
83.04910	2.4
84.01617	0.9
84.04445	4.4
85.02853	2.2
87.00771	25.6
96.89770	0.7
98.02390	2.5
99.00777	5.2
99.08007	0.8
100.03960	0.9
101.02349	56.8
101.05972	2.7
102.02708	3.3
102.05512	100.0
104.03423	1.2
106.31593	0.7
109.03983	1.0
112.98729	1.8
115.00285	33.5
116.00626	1.6
116.03426	2.2
118.02914	2.0
127.00299	14.7
127.05065	2.5
128.03462	43.9
132.15524	0.6
132.79272	0.7
145.00337	0.9
145.01366	21.8
145.03947	0.7
145.05028	2.8
145.06139	1.7
146.02596	4.6
146.04521	23.9
152.80379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0293
Annotation	Threonic acid
Peak:m/z	Relative Intensity
58.70317	0.6
59.01264	9.9
61.36590	0.5
65.01292	0.8
65.99736	0.7
69.89799	1.5
69.90190	1.8
71.01266	4.6
72.99198	16.3
75.00763	100.0
76.01094	1.8
76.32562	0.7
78.16086	0.8
78.95789	0.9
81.03336	0.7
85.02842	2.8
87.00759	1.5
88.88223	0.6
89.02339	8.4
92.05000	0.7
93.03327	1.0
95.95145	1.2
98.20542	0.9
99.00783	0.7
106.04042	0.9
107.04927	0.8
107.50449	0.6
108.02087	0.8
109.29370	0.6
117.01865	2.3
134.91502	3.2
135.02919	29.6
135.04434	5.8
135.97020	1.6
136.01544	0.7
136.03249	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	136.016
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
50.00226	0.9
52.98282	0.5
58.70754	0.6
64.01798	1.2
65.01331	5.0
65.03843	1.2
65.99728	2.7
66.00854	1.0
66.03362	1.6
67.01781	1.1
67.02899	6.3
68.01286	2.6
68.99693	0.7
69.03349	1.2
70.22096	1.1
70.22492	1.3
73.56693	0.6
77.01340	1.1
78.95795	0.8
79.02902	1.8
81.03358	1.3
81.04445	1.2
82.02863	1.4
83.01283	3.1
85.75520	0.7
92.04959	3.0
93.03358	100.0
94.02881	1.9
95.01302	5.0
95.02399	3.4
96.00834	1.4
96.03168	3.0
97.02788	0.9
106.04032	10.3
107.02424	0.7
108.02078	42.7
108.04481	1.5
109.02931	7.4
109.03969	5.1
110.02431	0.6
110.03499	1.0
110.89638	0.6
118.04017	2.1
119.02411	2.4
121.02740	0.9
122.01165	0.8
125.37315	0.6
136.01588	48.2
136.03908	2.8
136.05031	9.2
136.89137	1.6
137.02390	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.019
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.20057	0.6
55.01778	1.4
59.94326	0.6
65.01334	1.5
65.56641	0.6
65.99730	1.1
66.00862	1.6
66.03391	1.0
67.01775	3.5
67.02904	1.4
68.01299	2.7
68.99725	0.8
69.46544	4.6
81.04488	0.8
82.02880	0.7
83.01273	1.8
93.03378	1.7
94.02900	0.9
94.03694	4.8
95.01274	1.8
95.02422	0.9
95.04928	1.0
96.00835	0.7
96.05568	2.2
97.00347	0.5
97.02798	0.6
97.03976	2.1
98.19823	1.3
105.14709	0.6
108.02080	52.1
109.02388	4.0
109.03988	1.0
110.02379	1.1
111.00796	13.1
111.01916	1.4
111.04375	0.9
111.05585	0.6
120.01957	2.4
123.00841	0.6
123.03145	0.9
124.01559	0.7
124.29007	0.6
127.86841	0.6
138.01898	100.0
138.02747	4.3
138.05505	1.6
139.00319	8.1
139.02249	6.4
139.03981	3.0
139.05063	1.4
139.07605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00204	13.3
55.01785	4.7
59.01265	10.7
69.03335	5.1
70.56702	5.4
70.57099	7.2
71.01270	55.6
80.99715	7.7
83.01263	3.7
85.02854	9.6
87.00785	12.4
87.92438	11.9
96.99227	16.8
99.00718	3.5
100.03954	3.8
101.04279	5.6
102.05498	4.4
103.91932	3.6
112.98096	2.8
112.98730	23.2
115.00259	7.2
124.98719	50.6
125.02399	3.9
140.98224	9.0
142.99800	100.0
143.03442	6.2
144.00166	3.2
144.04494	7.9
144.05592	3.4
149.27824	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	130.0867
Annotation	L-Leucine
Peak:m/z	Relative Intensity
50.55355	0.6
53.79392	0.6
56.33563	0.6
57.03330	2.6
59.01263	1.9
69.03342	1.3
70.06754	0.6
70.07059	3.4
71.01273	5.5
73.02832	11.4
74.47574	0.7
75.00736	1.4
85.02844	6.6
85.06487	0.7
87.04410	5.3
88.03922	1.5
101.02339	1.4
103.61272	0.6
113.02385	1.5
115.21837	0.7
130.04083	3.6
130.08670	100.0
131.03482	6.2
131.09016	5.8
146.10887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
55.47214	1.6
59.23322	1.7
60.94689	1.6
69.36724	1.7
69.73328	12.3
71.01273	59.7
72.01617	2.5
72.99198	15.5
87.00747	2.1
89.02342	5.3
115.00288	100.0
116.00622	5.1
133.01353	25.3
133.04965	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	133.0136
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
51.45783	0.5
56.35369	0.6
57.03344	0.9
59.01271	1.7
70.58656	1.7
71.01271	70.3
72.01612	2.5
72.99200	17.8
75.00794	1.2
75.01322	0.6
78.95795	0.7
80.80435	0.6
87.00789	3.2
89.02335	8.6
113.09925	0.6
115.00284	100.0
115.24867	0.5
116.00610	5.7
118.88565	0.9
121.50825	0.7
133.01352	28.0
133.05040	3.1
134.01729	1.0
134.04646	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	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.5
70.06129	2.2
71.01270	62.4
72.01605	1.7
72.99200	14.6
83.20760	0.4
87.00783	2.1
87.04384	0.6
89.02340	6.7
97.03639	0.5
98.20522	1.0
115.00287	100.0
116.00616	4.4
117.49979	0.5
133.01355	27.7
133.04993	2.3
134.01694	1.1
134.04628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0294
Annotation	Threonate
Peak:m/z	Relative Intensity
52.40527	0.3
52.47192	0.3
55.01770	0.5
58.00484	0.4
59.01267	8.0
65.01330	1.0
65.40639	0.3
65.56568	0.3
65.99729	0.5
70.28844	1.1
70.84400	0.2
71.01270	5.4
72.99200	14.9
73.02850	1.0
73.99535	0.3
75.00766	100.0
76.01099	1.8
85.02837	2.4
87.00766	0.9
89.02341	9.5
90.02676	0.3
92.04955	0.4
93.03351	0.7
95.95130	0.7
99.00747	0.4
101.02366	0.3
105.66671	0.3
106.04059	0.8
107.04935	1.0
108.02061	1.0
117.01856	2.2
134.03679	0.5
134.91544	3.0
135.02925	33.3
135.04425	5.6
135.06569	0.5
135.97046	1.5
136.01582	0.7
136.03172	1.7
136.04938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03341	0.6
60.46516	0.4
62.60765	0.4
65.01331	0.7
65.99739	5.6
67.01770	1.2
67.02893	0.8
68.01285	0.8
68.99715	0.6
69.03343	14.9
79.01780	1.1
81.03347	4.1
81.04465	0.9
82.02872	1.6
82.04010	0.8
83.01288	2.0
83.02396	5.4
83.03177	0.5
83.04321	0.7
95.01295	1.7
96.99219	1.9
97.02850	12.3
97.03912	0.8
98.02367	1.4
98.03230	0.5
107.01296	1.0
108.02041	0.6
123.00813	0.9
124.01594	1.7
124.98749	1.7
125.02373	100.0
125.06001	3.5
126.01858	1.6
126.02783	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	129.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	12.8
57.03339	48.9
58.02873	6.1
59.01254	7.4
64.35403	3.5
64.38113	4.6
65.01328	8.9
67.01775	84.7
68.99701	28.9
71.01256	19.4
71.32404	7.0
72.99198	13.7
73.02842	14.3
75.72388	3.1
82.03484	3.1
83.01289	10.9
84.45826	3.1
85.02847	84.5
85.06484	4.3
86.03179	4.2
87.00780	6.7
88.03939	37.2
92.17273	3.8
94.88675	3.5
99.00777	8.8
101.02361	10.7
103.02931	4.7
111.04433	4.3
116.91056	3.5
129.01865	49.4
129.02861	3.7
129.03192	4.5
129.05508	5.8
130.04042	73.1
130.08659	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	115.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89423	1.9
54.99971	1.9
57.87781	1.9
59.01269	23.8
64.68353	2.0
65.40575	1.9
65.76488	2.3
70.14872	11.1
71.00891	4.2
71.01270	51.6
71.04911	27.4
72.04446	3.2
73.02837	3.2
73.03958	35.8
74.02363	12.7
75.13862	2.3
85.02869	3.6
87.00773	11.5
89.01325	3.8
92.34367	2.0
97.02843	6.5
97.93032	3.8
98.19914	2.6
114.93317	9.2
115.00296	13.8
115.03936	13.4
115.05063	4.6
115.07560	3.2
115.92001	3.3
116.02473	15.0
116.07092	100.0
117.93233	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	1150.6324
Annotation	Unknow
Peak:m/z	Relative Intensity
107.55294	0.2
122.00041	1.3
122.98480	0.2
127.07568	0.2
134.98441	0.2
140.01114	6.4
140.70677	0.2
152.99527	2.1
166.02606	0.2
171.85146	0.2
196.03786	9.7
197.11952	0.2
214.04836	2.0
233.22653	0.5
235.06754	0.2
257.19458	0.2
259.20673	0.6
275.20236	0.7
277.21777	82.3
278.19052	0.2
278.22128	6.5
474.26361	100.0
475.26688	8.6
526.86768	0.2
576.88806	0.2
588.33917	0.2
719.32300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.6314
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04908	0.2
87.34002	0.1
96.96867	0.5
98.19853	0.3
113.06047	0.1
122.00040	0.3
127.07523	0.3
140.01117	2.9
152.99521	1.5
163.58824	0.1
171.00581	1.0
196.03783	1.4
205.19572	0.2
214.04846	3.2
233.22716	0.5
254.60460	0.1
259.20587	0.6
275.20148	0.6
275.69742	0.1
277.21771	100.0
278.22113	7.1
289.87943	0.1
425.74551	0.2
474.26349	71.3
475.26709	6.5
557.86981	0.1
811.22241	0.1
1174.89246	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	1150.6324
Annotation	Unknow
Peak:m/z	Relative Intensity
107.55294	0.2
122.00041	1.3
122.98480	0.2
127.07568	0.2
134.98441	0.2
140.01114	6.4
140.70677	0.2
152.99527	2.1
166.02606	0.2
171.85146	0.2
196.03786	9.7
197.11952	0.2
214.04836	2.0
233.22653	0.5
235.06754	0.2
257.19458	0.2
259.20673	0.6
275.20236	0.7
277.21777	82.3
278.19052	0.2
278.22128	6.5
474.26361	100.0
475.26688	8.6
526.86768	0.2
576.88806	0.2
588.33917	0.2
719.32300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46928	0.3
55.01765	0.5
59.01268	3.4
71.01262	3.0
71.04897	0.5
71.56036	0.3
71.56409	0.4
72.00795	0.8
72.01586	0.3
72.99186	0.3
73.02836	100.0
74.02359	1.0
74.03172	3.0
75.00763	0.4
77.74815	0.3
82.43013	0.3
85.20562	0.3
87.00751	0.7
89.02319	0.3
90.00880	0.8
91.02907	0.4
93.39118	0.3
99.00777	9.3
99.92483	2.9
100.01125	0.5
100.92475	0.4
116.92770	10.6
117.01852	18.6
117.07430	0.9
117.92809	0.9
118.02179	0.4
118.02902	1.1
118.04033	0.7
118.04938	0.4
119.49749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03325	0.1
83.04885	0.1
85.02850	0.1
93.03350	0.9
93.03911	0.1
94.03706	0.0
101.02388	0.1
111.04416	0.0
112.79986	0.0
113.02330	0.1
133.02939	0.1
134.03728	0.3
135.04393	0.2
136.04863	0.0
137.02400	0.1
145.02847	0.1
161.04475	0.1
165.07079	0.3
173.04507	0.9
174.04842	0.1
177.01973	0.1
178.02652	0.2
179.03238	0.1
191.05583	0.2
191.08640	0.5
193.06512	0.3
217.06587	0.1
218.07419	0.2
219.08153	97.9
220.08473	5.6
220.15596	0.0
221.06201	0.1
221.11707	0.1
225.15981	0.1
243.55823	0.0
262.06741	0.1
263.07181	100.0
264.07513	5.6
289.05109	0.1
293.10013	0.2
294.10876	0.1
305.08386	0.1
425.12521	19.9
426.12875	1.6
451.32983	0.1
467.15619	0.3
468.15942	0.3
469.11423	1.0
469.17590	0.1
470.11874	0.1
677.49811	2.1
678.49683	0.3
1103.63184	0.4
1104.64099	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	1175.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01221	1.2
84.30395	0.3
85.02842	4.1
87.00737	0.9
89.02341	5.7
93.03329	0.8
94.06481	0.7
95.01218	1.6
96.95853	1.0
97.02822	0.5
99.00727	0.6
101.02342	6.3
104.04915	0.6
106.06534	4.4
107.03606	0.8
108.04411	0.4
113.02361	5.1
119.03418	2.4
120.08033	0.9
120.49349	0.4
122.06048	6.7
123.07975	1.0
132.04388	1.5
134.06050	27.1
135.06316	0.7
136.07512	1.0
137.02344	0.5
139.02597	0.8
150.05440	1.1
152.07104	5.7
159.24309	0.4
160.03963	0.6
160.07401	0.4
161.02353	0.5
161.04446	0.8
162.05505	0.5
163.11162	0.7
173.04396	1.6
183.59682	0.4
189.12680	1.3
190.05034	2.4
191.05478	1.0
192.06630	0.6
196.06291	0.5
204.97134	0.4
207.13751	1.0
210.07872	0.7
211.08815	1.8
213.10229	0.7
215.11850	3.0
221.10686	0.7
223.08643	1.7
224.09451	1.5
225.10303	3.2
225.71494	0.4
227.11806	0.7
236.05833	0.8
236.09561	0.9
237.06795	2.1
237.10233	1.7
239.11784	1.5
241.13371	0.7
243.15221	0.4
248.09573	0.6
249.06577	0.8
249.10301	1.4
250.07413	1.5
251.08298	5.2
251.11781	1.4
252.08624	0.8
253.06009	0.4
253.09789	0.9
261.10309	1.2
262.07419	0.7
262.10895	0.6
263.08179	3.0
263.11987	0.6
264.09097	2.8
265.09882	4.4
267.11285	1.1
269.12915	1.3
276.09085	0.8
277.09937	2.5
278.10419	0.9
279.11404	3.0
280.12082	0.5
281.09253	0.6
281.12762	0.6
283.10855	0.9
285.12439	0.9
287.14001	0.9
289.09866	0.6
291.07816	0.7
291.11249	0.8
292.08411	1.1
293.09338	0.4
295.10843	0.8
296.11298	0.5
305.09378	2.8
306.09958	0.7
306.16223	0.7
307.11008	2.2
308.11182	0.4
309.12308	0.5
314.09299	0.5
314.12549	2.7
316.10907	0.6
319.10834	0.9
321.12384	0.5
323.10376	1.1
328.10916	0.9
329.11795	0.5
330.12424	1.4
330.16064	0.8
331.13248	0.6
332.13934	1.6
337.12070	3.5
339.13333	1.4
340.14343	0.4
341.11765	0.6
342.12433	1.6
342.16135	1.5
344.10306	0.5
344.14108	2.1
345.14682	1.2
346.15738	2.9
351.13550	0.5
354.12378	0.9
355.13379	0.6
356.10400	0.9
356.14044	1.3
357.14908	0.8
358.11758	1.7
358.15588	3.5
359.16293	1.5
360.17203	3.1
361.17825	0.5
368.14233	0.9
369.15002	0.7
370.11688	1.5
370.15857	1.8
371.12411	1.2
371.16522	0.7
372.13223	2.1
372.17212	1.7
373.14178	1.6
374.15204	1.8
382.11871	0.6
383.12274	0.7
383.16513	0.7
384.12939	1.9
384.17850	2.5
385.14319	1.3
386.15073	7.6
386.19290	0.4
387.15500	0.8
396.12964	0.7
396.17422	0.7
397.14072	0.6
398.15182	3.1
399.15585	1.1
400.16852	2.2
401.17273	0.5
402.18149	0.9
410.14960	0.9
411.15656	0.7
412.17307	1.8
414.17935	0.9
416.16034	0.5
418.17496	0.7
427.15170	0.7
428.16110	5.1
429.16666	1.0
430.17734	0.9
440.16095	2.2
442.18289	0.5
444.19534	0.5
453.17017	0.5
454.17950	0.9
458.17303	0.5
459.18057	1.1
460.18829	4.6
470.16763	0.4
472.18829	1.8
477.19052	0.6
479.20651	0.5
486.20145	1.2
492.21747	0.5
493.22601	1.8
494.23114	0.6
507.23785	0.5
517.18530	1.9
518.19495	0.8
520.21039	0.8
521.22052	0.8
533.22009	0.9
547.23755	0.5
575.23065	1.3
578.21643	1.7
592.23273	0.8
593.23932	0.9
606.24170	0.5
607.25385	2.1
625.26715	1.6
632.23065	0.8
633.22742	0.5
634.24042	0.9
651.25665	0.4
664.25366	1.0
665.26062	0.8
666.26733	0.6
673.28687	1.1
687.30377	1.4
701.29156	0.8
711.30292	0.9
713.28546	2.4
714.29419	0.9
727.29419	0.8
733.30695	2.0
737.28217	0.8
745.31140	0.6
755.29523	28.8
756.29657	3.2
759.32965	0.7
769.31189	1.4
773.30890	2.6
787.32159	100.0
788.32458	14.5
805.33087	4.5
849.44464	0.5
979.42822	0.8
980.44202	0.6
1020.43689	1.6
1021.43933	0.7
1022.44769	0.7
1052.46899	2.3
1053.47351	1.0
1075.51685	0.7
1101.49536	3.1
1102.50098	2.2
1143.31091	0.7
1143.50549	37.8
1144.50916	8.6
1175.53296	60.8
1176.53589	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	113.06
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50569	1.6
50.74837	1.3
55.01777	7.5
57.03344	21.4
58.02863	8.2
67.01771	2.7
68.01299	2.6
68.99461	29.2
69.03345	14.5
70.50704	1.5
70.51027	5.5
71.01276	7.1
71.02393	19.5
72.00794	13.7
72.01595	1.4
72.99201	4.8
80.57349	1.3
83.01285	4.5
83.02362	1.6
84.02061	12.6
85.02842	88.8
86.02354	7.8
86.03188	3.3
89.50674	1.4
95.01264	2.3
96.00813	12.8
112.98627	1.8
112.99806	2.1
113.02355	38.4
113.03474	7.9
113.05991	100.0
114.00919	3.1
114.01878	8.6
114.02615	2.6
114.05516	6.3
114.06332	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	1133.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	1.3
81.39805	0.2
83.01280	4.5
83.04872	0.4
84.18281	0.2
85.02845	19.9
85.99942	0.9
86.03124	0.4
87.00775	10.1
87.04403	1.5
88.01070	0.3
89.02341	16.9
93.03320	0.5
95.01286	3.3
97.02850	3.8
99.00792	3.2
99.04369	0.9
99.52950	0.3
101.02351	31.8
102.02662	0.2
103.03922	3.3
109.02812	1.2
111.00780	1.4
111.04407	0.3
112.01524	0.7
113.02362	18.3
113.10812	0.3
115.03919	2.3
117.03366	0.6
119.03425	7.6
123.00806	0.4
124.01519	0.5
125.01589	0.3
125.02378	3.8
127.03094	0.3
127.03931	4.0
129.01788	0.7
131.03445	4.1
135.04381	0.4
137.02394	0.6
141.01784	0.4
143.02397	0.4
143.03438	7.1
145.02887	2.2
145.05005	1.5
149.04453	0.6
155.03423	0.3
159.02948	1.3
161.04483	1.7
163.06068	3.1
173.04483	0.6
179.05502	0.8
191.05571	0.5
205.07181	3.6
233.06642	1.0
247.08203	0.5
289.09412	0.3
290.02261	0.3
309.86163	0.3
315.65433	0.3
327.17581	0.3
413.30554	0.8
431.31808	2.2
575.35822	1.2
593.37189	1.6
602.45239	0.3
655.18958	1.1
737.41449	0.9
742.73041	0.3
755.29016	0.5
755.42151	3.8
756.43030	0.6
865.46771	0.4
883.47308	6.1
884.47583	0.8
885.48523	0.4
901.48187	18.4
902.48950	2.5
943.49066	3.2
944.48846	0.6
993.51312	0.7
1029.53064	73.1
1030.53174	11.6
1047.54102	67.0
1048.54468	10.2
1089.55164	100.0
1090.55359	17.4
1101.40222	0.4
1133.50757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.6658
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95788	2.0
83.01270	0.6
85.02837	1.9
87.00745	0.6
87.21474	0.3
89.02334	5.3
89.02836	0.4
95.01268	0.5
101.02344	5.5
113.02358	3.3
119.03400	2.5
121.13745	0.3
121.25103	0.3
127.80523	0.2
146.95526	0.3
152.99519	2.9
153.99916	0.3
173.14943	0.2
223.20738	0.8
225.22237	16.7
226.22585	0.9
253.21771	3.2
255.23302	1.0
267.23337	1.4
271.22836	31.9
272.23132	1.7
313.23792	0.5
431.22220	1.0
432.22464	0.4
433.28137	100.0
434.28415	7.8
640.59003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6498
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95793	6.3
82.34844	0.2
93.03349	0.2
113.99917	0.2
115.00723	0.2
139.18701	0.2
152.99524	1.5
167.83058	0.2
168.04266	1.6
173.04552	0.2
191.05739	0.2
196.78751	0.2
224.06915	1.1
233.22737	0.6
242.08028	3.2
259.20694	0.4
263.83481	0.2
275.20172	0.7
277.21774	92.4
278.22107	4.7
502.29517	100.0
503.29816	6.9
517.25751	0.8
576.33179	4.8
577.33490	0.4
1101.72290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
77.33962	0.1
83.01283	0.5
88.81124	0.1
91.01786	0.2
93.03405	0.1
93.10436	0.1
107.01280	1.7
107.01961	0.1
107.47063	0.1
108.02062	0.8
109.02864	0.9
119.01263	0.2
121.02874	1.3
123.00744	0.1
124.01559	0.2
124.05328	0.1
125.02361	0.2
128.34529	0.1
135.00827	0.5
139.03923	0.1
146.03670	0.1
147.00801	0.2
148.01576	0.8
149.02417	0.3
151.00304	7.3
152.00723	0.1
153.01840	0.2
155.32184	0.1
159.04488	0.2
161.02293	0.1
163.00327	1.7
163.03918	0.1
164.01129	0.6
165.01927	0.1
167.04942	0.1
169.01334	0.6
175.04002	0.2
178.99817	3.8
180.00171	0.1
182.03676	0.1
183.04494	0.3
185.06081	0.1
187.03976	0.3
188.04811	0.1
190.99811	0.2
192.00533	0.2
193.01270	0.2
198.03355	0.1
199.03932	0.6
201.01852	0.2
201.05565	0.3
203.03368	0.1
211.03961	0.8
213.01837	0.2
215.03465	0.4
216.04259	0.3
217.04848	0.1
225.02051	0.1
226.02692	1.1
226.04648	0.1
227.03485	2.2
228.04039	0.2
229.05020	0.4
239.03502	0.2
240.04303	0.1
243.03006	7.6
244.03563	0.6
245.04556	1.1
246.04993	0.1
254.02240	1.6
255.03020	21.2
256.03418	1.4
257.04456	0.2
266.02216	0.1
271.02527	43.5
272.02997	3.2
273.04111	0.9
283.02545	1.1
284.03149	0.1
299.02130	1.1
299.05362	0.1
300.02808	87.0
301.03513	31.1
301.10553	0.1
302.03931	1.5
343.04324	0.2
463.08963	1.9
464.09137	0.1
505.09964	100.0
506.10269	8.0
507.10541	0.1
762.43878	0.1
920.97894	0.1
1121.93262	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	1123.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95793	48.9
90.42337	0.1
96.96268	0.2
96.96860	3.5
100.50833	0.1
104.05704	0.1
112.74615	0.1
117.72085	0.1
150.97978	0.8
152.99525	56.7
153.99834	0.6
171.00594	15.9
227.01036	0.2
227.03262	3.2
245.04344	67.7
246.04710	1.1
253.21764	31.6
254.22122	1.2
281.34448	0.1
462.51447	0.1
481.25812	100.0
482.26160	5.8
482.33322	0.2
641.22272	0.1
795.23401	0.9
869.26086	0.1
887.28131	0.1
895.45435	0.5
1123.49243	25.7
1124.49280	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	1079.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04945	1.2
88.11793	0.8
88.57430	0.9
93.03360	1.6
94.06529	3.1
96.95924	1.6
103.37089	0.8
106.06533	4.1
107.03670	12.1
108.04478	1.1
119.13737	0.9
120.04482	1.8
120.08089	1.6
121.05237	1.3
122.06032	57.3
123.06438	1.4
124.01529	1.0
132.04466	2.6
134.06042	23.9
136.07608	3.7
139.02666	5.1
146.06108	1.2
150.05557	2.7
152.07104	79.7
153.07436	3.1
158.06071	0.9
160.03975	2.3
163.64270	1.1
166.04970	1.2
174.05576	1.1
186.05655	1.0
190.05066	2.1
191.05522	1.0
210.07991	1.2
211.08730	3.2
213.10292	2.2
215.11880	3.2
219.08153	46.6
220.08508	3.3
221.10895	1.2
223.08803	4.5
224.09579	2.0
224.13507	0.9
225.10294	4.9
227.11827	1.1
228.06674	1.1
235.08759	1.6
236.05878	1.6
237.06711	2.9
237.10327	3.1
238.11115	1.0
239.11908	3.8
241.13559	3.2
245.06151	1.3
245.13034	1.1
247.07642	42.4
248.07957	2.1
249.06679	2.4
249.10370	1.8
250.07478	2.2
251.08319	9.9
251.11848	3.6
252.08997	1.4
253.13510	1.5
261.10263	1.8
262.07449	1.4
263.07108	33.8
263.11829	2.0
264.09116	3.3
265.09793	9.1
266.10455	1.6
267.11447	2.8
269.12964	1.6
273.10565	1.2
276.09100	1.6
277.09854	5.2
278.10648	1.4
279.11429	5.7
280.12305	1.3
281.13062	1.8
283.10962	2.3
285.12585	1.9
287.14240	1.9
289.05124	1.0
289.10025	1.1
290.10751	1.1
291.06662	8.0
291.11423	2.0
292.12183	2.0
293.09641	1.1
293.12869	1.5
295.10919	2.6
295.14697	0.9
297.12589	1.0
305.09485	5.0
305.12640	1.6
306.09885	1.2
307.10941	5.1
313.11920	1.2
323.10400	2.3
325.11908	2.8
328.11053	1.6
328.14746	1.3
330.12677	2.2
330.16147	1.4
331.13623	1.5
332.14194	1.1
337.12170	1.5
339.13483	5.0
342.12524	2.6
342.16391	2.4
343.13370	1.9
344.14072	3.2
345.14911	1.8
346.15674	2.9
351.13370	1.0
354.12628	1.6
355.13156	2.8
356.14178	1.1
356.17798	1.2
357.14734	1.4
358.11826	2.6
358.15698	4.6
359.16333	1.9
360.17126	4.6
368.14185	2.0
370.11597	2.0
370.15729	2.3
371.12595	1.3
372.13474	3.9
372.17441	2.0
373.14236	2.6
374.15045	1.6
382.15854	1.1
384.13205	1.9
384.17792	4.3
385.14368	2.9
386.15063	11.5
386.18903	1.0
387.15576	2.4
388.16699	1.9
396.17331	1.4
398.15170	3.5
399.15930	2.8
400.16617	3.6
401.17163	1.1
402.18408	3.8
410.15170	1.1
412.16904	3.5
414.18423	3.1
416.16263	2.2
426.18451	1.5
427.19812	1.2
428.16205	7.1
430.17654	1.2
431.18457	1.6
440.16339	3.5
441.16693	1.1
442.17780	1.1
443.18674	1.3
444.19553	1.5
446.16980	1.3
448.18701	3.6
456.15143	1.0
460.18756	5.1
470.17276	2.1
471.18088	5.5
472.18796	2.8
502.19809	2.1
504.21490	2.9
511.23581	1.8
522.23346	1.0
525.25195	1.3
549.25269	1.8
551.23004	5.4
565.24579	2.5
570.24402	1.2
571.25580	1.7
575.23328	1.8
593.24158	100.0
594.24469	14.8
611.24988	7.8
625.26740	55.5
626.27155	8.8
633.21851	1.1
643.27814	5.8
664.24933	1.1
713.28613	1.5
721.26062	1.0
723.25568	1.7
755.29297	5.4
787.32544	11.3
788.32135	2.3
884.31110	2.0
925.76221	1.0
944.30347	1.2
979.38489	2.2
1003.37634	4.1
1004.36969	1.4
1005.35895	2.6
1006.36414	2.8
1035.41101	1.7
1047.36938	65.1
1048.37378	17.9
1079.39478	26.1
1080.39783	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	1076.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02820	1.6
89.02332	0.7
94.06505	1.3
96.95896	1.3
101.02360	1.7
101.18336	0.6
106.06509	0.7
107.03668	5.0
113.02354	0.7
120.08059	0.6
121.05247	0.6
122.06041	23.5
123.08088	0.7
124.07610	0.6
132.04501	0.7
134.06042	4.9
139.02643	2.2
145.55777	0.6
150.05559	1.4
152.07115	42.7
153.07471	1.2
160.04045	0.6
163.11230	0.8
173.04591	0.5
179.10243	0.6
189.12866	1.1
190.05070	1.0
209.07301	0.5
210.07924	0.5
211.08716	1.4
213.10262	0.6
215.11894	1.3
223.08786	1.4
224.09552	1.2
225.10365	1.5
227.11850	0.9
235.08742	0.5
235.29373	0.5
237.06664	2.7
237.10335	1.1
239.12065	1.3
249.06421	0.6
249.10287	0.7
250.07492	1.4
251.08313	3.9
263.08331	1.4
264.08990	1.8
265.09766	3.0
269.13037	0.7
277.09811	1.5
278.10632	0.8
279.11389	1.4
281.13065	0.8
283.10855	2.1
285.12381	0.9
291.07730	0.8
295.10992	1.1
305.09225	1.3
307.11014	2.2
321.12350	0.6
328.10736	0.7
329.11401	0.6
330.12451	0.9
332.14087	0.9
337.12375	0.8
339.13467	3.6
342.16293	1.2
344.14191	1.7
345.14798	1.2
346.15576	1.7
347.16083	0.6
354.12500	0.7
355.13049	1.1
358.12009	1.4
358.15866	1.2
359.16162	0.7
360.17188	2.4
364.98929	0.6
370.11969	1.1
371.12454	0.7
372.13513	2.0
373.14273	1.1
374.15131	1.4
383.16611	0.7
384.17462	1.3
385.14539	0.7
386.15103	3.8
387.15610	1.1
398.14987	1.5
400.16806	1.0
402.14609	1.7
405.78287	0.7
406.17905	0.8
410.15567	0.7
412.12714	0.9
412.17349	0.9
417.17209	0.9
428.16183	3.6
429.16852	0.6
440.16077	1.9
448.18640	1.7
459.17929	2.3
460.18781	7.2
461.19449	0.7
470.17148	0.8
471.17987	1.0
472.18829	2.5
502.19525	1.3
504.21524	3.4
510.22656	0.7
511.23788	0.7
523.19849	1.2
525.24908	0.9
538.22925	0.7
551.23157	1.4
565.24634	0.9
571.25403	1.2
593.24194	3.2
597.27661	0.7
625.26807	85.2
626.27197	12.7
940.45624	0.7
981.45068	3.1
982.45392	0.8
1013.47882	100.0
1014.48090	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	1069.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00781	0.8
78.95779	0.4
81.03352	0.5
83.01275	13.7
85.02842	7.4
87.00775	2.2
89.02338	9.1
89.03867	0.4
93.03329	0.5
95.01282	3.0
96.95925	0.7
97.02851	0.9
99.00788	0.6
99.04379	0.4
101.02345	39.6
102.02676	0.6
109.02891	0.3
113.02354	24.2
114.02736	0.5
115.95689	0.4
117.03376	33.4
118.03719	1.4
119.03429	6.9
119.04906	3.6
121.06525	1.2
125.02367	1.9
129.01881	0.4
131.03426	5.0
134.03679	0.5
135.04408	0.4
137.09653	11.0
143.03441	6.7
145.02887	100.0
146.03227	3.4
147.02942	0.4
149.04497	12.4
149.09654	0.6
155.03381	1.7
161.04500	19.8
163.03944	4.3
166.80229	0.3
173.04506	1.0
179.05554	1.3
189.12833	3.0
191.05615	1.1
203.05585	2.8
207.13858	0.7
221.06685	7.1
229.46510	0.3
253.48309	0.3
307.08389	0.4
319.32956	0.3
323.09995	0.4
341.11090	0.8
349.09177	0.5
369.19571	0.4
383.11758	0.6
411.20306	4.0
414.45831	0.4
553.15979	1.8
559.86108	0.4
571.16663	2.4
592.97974	0.3
613.17859	50.8
614.18091	5.8
614.27826	0.5
638.22119	0.4
644.48572	0.4
1031.15039	0.4
1069.41614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
74.57965	0.5
80.04951	0.9
83.01282	0.6
85.02831	1.2
93.03383	0.7
94.06525	1.4
96.35965	0.5
96.95911	6.1
99.00772	0.6
101.02354	0.9
106.06531	0.8
107.03670	4.6
111.50998	0.7
113.02343	1.4
122.06032	23.0
123.06386	0.6
124.07574	0.7
132.04527	0.7
134.03702	0.7
134.06046	4.7
135.04404	1.1
136.07584	1.0
139.02673	2.2
149.02444	0.6
150.05519	1.1
152.07114	40.2
153.07416	1.4
153.09097	1.8
160.04048	0.6
163.81319	0.5
165.25557	0.6
173.04526	1.5
175.03912	0.8
187.26471	0.6
187.28397	0.6
190.05119	1.3
191.05521	1.1
205.12292	1.4
211.08797	1.6
213.10194	1.1
215.11870	1.4
223.08699	1.2
224.09436	0.9
225.10356	1.9
237.06757	1.6
237.10199	1.0
239.11786	0.6
250.07446	1.0
251.08183	3.9
252.08705	0.9
263.08228	2.0
263.11902	0.6
264.09042	0.9
265.09875	3.0
267.11423	0.7
268.88565	0.5
269.12994	0.8
277.09845	1.5
278.10529	1.1
279.11337	1.2
283.10889	1.6
285.12631	1.0
287.14209	0.6
291.07813	1.3
291.11127	0.6
293.09341	0.7
305.09238	0.7
307.10944	2.5
318.16037	1.0
319.10904	1.1
328.11169	0.7
329.11505	0.6
330.12524	0.8
332.14032	0.8
337.11942	0.7
339.13498	3.7
344.14209	1.3
345.14868	1.1
346.15662	1.9
355.13531	0.7
358.11786	1.0
358.15756	2.0
359.16400	1.5
360.17105	2.0
369.15024	0.7
370.11899	1.0
372.13641	1.7
374.14877	1.2
384.13205	1.1
384.17355	1.7
385.14200	1.2
386.15063	5.3
387.15848	0.7
398.15201	1.0
399.15872	0.9
400.16541	1.6
402.14355	1.3
411.16400	0.9
412.16977	1.5
416.16040	0.9
417.16956	1.0
427.14948	0.7
428.16116	2.4
430.17761	0.9
440.16272	1.7
442.17874	1.1
448.18680	2.1
459.17993	2.0
460.18970	7.9
472.18640	2.9
504.21423	5.0
523.20062	0.8
538.22266	1.1
539.23151	1.0
551.23242	2.6
552.23590	1.3
565.24567	0.6
570.25238	0.7
571.25519	1.2
593.23871	4.1
594.24457	1.8
597.27533	1.1
625.26794	100.0
626.27197	12.8
743.16663	0.6
890.41235	1.3
979.43726	2.6
1006.42133	1.0
1011.46344	95.3
1012.46667	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99198	1.8
73.02834	4.8
75.00744	0.5
78.40362	0.1
81.03339	0.5
83.01274	3.6
83.04880	0.2
85.02840	11.1
85.99970	0.6
87.00771	4.5
87.04407	1.2
89.02336	10.5
89.59430	0.1
90.02682	0.3
92.72610	0.2
93.03343	0.5
95.01291	2.2
96.95896	0.3
97.02840	2.2
99.00761	1.7
99.04410	0.3
101.02344	19.6
102.02632	0.2
103.03923	1.5
109.02879	0.3
111.00795	0.8
112.01568	0.3
112.88850	0.2
113.02353	11.0
115.03932	1.4
119.03417	4.2
125.02357	2.0
127.03947	0.5
129.01811	0.4
131.03430	2.6
133.70778	0.2
134.03627	0.2
135.04430	0.2
137.02362	0.2
143.03430	4.3
145.04991	0.6
149.04546	0.2
149.05994	0.2
159.02928	0.6
161.02342	0.2
161.04515	0.9
163.06096	1.7
173.04507	0.9
175.03963	0.2
177.01846	0.2
179.05525	0.3
189.04004	0.2
191.05560	0.6
202.55797	0.2
205.07162	1.8
206.07329	0.3
209.11835	0.9
221.06099	1.7
247.07932	0.3
249.09293	0.3
274.04346	0.2
277.08719	6.3
278.09109	0.4
289.05026	0.7
413.30536	0.4
431.31668	1.2
449.14633	0.2
483.12970	2.3
484.13281	0.3
575.35736	0.4
593.36963	0.6
755.42792	1.2
767.45367	0.2
808.52411	0.2
883.47375	1.4
885.47925	0.4
901.48218	12.0
902.48724	2.0
963.44006	0.2
1047.54053	100.0
1048.54321	22.5
1049.54297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00993	1.2
59.01263	13.8
64.00587	0.7
65.01335	0.8
65.96924	0.6
68.59049	0.6
71.56849	1.0
72.99197	62.6
73.99551	1.4
75.00763	30.4
76.01118	0.9
76.55160	0.6
87.92404	1.4
90.76113	0.7
93.73771	0.6
103.00255	0.9
105.01839	100.0
106.02180	3.2
106.04028	4.8
123.94574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00771	0.4
81.03345	0.3
83.01280	2.6
83.04934	0.2
84.02045	0.3
85.02844	11.3
85.06512	0.2
85.99998	0.5
86.03190	0.2
87.00770	4.2
87.04425	0.7
89.02338	15.9
90.02663	0.2
93.03341	0.3
95.01297	2.2
96.95924	0.5
97.02851	0.7
99.00776	1.5
99.04376	0.2
101.02348	18.5
102.02686	0.4
103.03896	1.0
110.97936	0.2
111.00781	0.6
113.02359	12.1
115.03900	0.8
119.03417	6.8
120.03822	0.2
122.06029	0.3
125.02367	0.8
127.03953	0.2
129.01852	0.3
131.03432	2.8
133.02876	0.4
134.03630	0.2
134.05975	0.2
135.04399	0.3
137.02400	0.2
139.00319	0.2
143.03435	3.3
145.02950	0.3
145.04984	0.4
149.04491	0.4
152.07085	0.4
159.02922	0.5
159.04277	0.1
160.01646	0.2
161.02438	0.2
161.04454	0.9
163.06052	0.7
173.04488	0.7
175.03894	0.2
177.01891	0.4
179.05566	0.4
191.05595	0.6
205.07173	1.7
209.11774	0.2
227.25346	0.2
247.07907	0.2
314.84177	0.2
342.58371	0.2
413.30719	0.7
431.31888	0.9
449.14468	0.3
575.36133	0.7
593.37024	0.5
737.41711	1.3
755.42389	2.2
883.46936	0.3
901.48169	15.5
902.48669	2.8
917.47900	2.0
918.48322	0.3
1045.46973	0.3
1063.53589	100.0
1064.53894	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.422
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99208	0.7
73.02831	1.4
74.27088	0.3
75.00771	0.3
80.04958	1.7
83.01287	1.0
85.02841	1.9
87.00780	2.2
89.02324	4.8
92.04969	0.5
93.03357	0.8
94.06520	3.8
95.01289	0.8
96.95855	0.3
97.02840	1.7
98.20496	0.7
99.00777	1.0
101.02345	5.8
104.04972	0.7
106.06538	2.6
107.02943	0.6
107.03672	11.6
108.04470	0.7
109.02883	0.4
113.02364	2.8
119.03439	0.9
120.04465	1.3
120.08108	2.1
121.05252	0.9
122.06036	54.6
123.06385	1.4
124.07594	1.0
125.02378	1.4
129.01683	0.3
131.03525	0.5
132.04453	1.5
134.06044	13.1
136.07629	1.8
139.02684	4.8
143.03409	0.5
144.04424	0.3
146.06102	0.5
148.03990	0.6
148.07573	1.0
150.05545	2.6
152.07111	77.3
153.07460	2.7
158.02365	0.7
160.03989	1.5
161.04590	1.1
161.07178	0.4
162.05621	0.5
163.37434	0.3
163.89980	0.3
164.07118	0.7
166.05048	0.6
172.03963	0.3
172.07613	0.4
173.04498	0.4
174.05573	1.2
179.05539	1.0
186.05659	0.4
190.05051	3.1
191.05611	0.4
197.07341	0.5
197.10672	0.4
200.03519	0.6
200.09537	0.5
209.07149	0.8
210.07953	1.0
211.08778	2.1
213.10428	1.5
215.11885	4.4
221.06679	1.5
221.10930	1.0
223.08728	3.6
224.09499	3.0
225.06783	0.7
225.10287	3.8
226.10936	0.7
227.11903	1.4
234.08049	0.4
235.08562	1.2
236.05812	1.6
236.09494	0.7
237.06712	3.9
237.10307	2.6
238.07513	0.4
238.11139	1.4
239.11990	3.2
241.13499	2.0
243.15218	0.4
245.12936	1.1
248.09471	0.7
249.06668	0.7
249.10347	1.8
250.07428	2.3
250.11264	0.4
251.08276	6.9
251.11919	2.1
252.08846	1.0
253.06200	0.3
253.09663	1.7
253.13474	0.6
261.10339	1.1
262.07541	0.4
263.08273	3.5
263.11884	1.0
264.09113	3.4
265.09869	7.0
266.10452	1.0
267.11426	1.3
269.09244	0.5
269.12994	2.1
271.11029	0.7
275.08206	0.4
276.08975	0.7
277.09869	2.3
278.07550	0.4
278.10416	1.6
279.11414	3.7
280.12198	0.9
281.09497	0.5
281.12967	1.1
283.10995	3.3
284.11502	0.4
285.12460	1.4
287.14166	3.1
288.14996	0.4
291.07782	1.0
291.11447	1.9
292.08548	1.0
292.11905	0.7
293.09460	1.1
293.12961	1.0
294.10046	0.4
295.11008	1.7
296.11597	0.6
297.12415	1.0
305.09341	2.5
305.12903	0.6
306.09836	0.4
306.16336	0.5
307.10925	2.8
308.11703	0.4
309.12622	0.4
310.09689	0.4
313.12021	0.5
315.10608	0.4
316.11017	0.7
316.14539	0.4
318.16177	1.5
319.10922	1.0
321.12494	0.4
323.10513	2.1
324.11115	0.4
325.11942	1.1
326.12872	0.4
328.11035	0.8
329.11929	0.6
330.12482	1.5
330.16113	0.7
331.13391	0.9
332.13986	1.5
337.11945	0.9
338.12979	0.4
339.13629	3.8
340.13898	0.4
342.12509	1.7
342.16199	2.1
343.09680	0.4
344.14117	3.1
345.14828	1.4
346.15671	4.0
347.16171	0.7
351.13510	0.8
354.12396	0.6
355.13284	2.4
356.10300	0.7
356.14032	0.8
357.11145	0.7
357.15134	0.7
358.11972	2.7
358.15811	3.5
359.16342	1.8
360.17245	4.3
364.10626	0.4
369.15146	0.5
370.11746	2.0
370.15933	0.7
371.12372	1.7
372.13504	3.5
372.17459	1.4
373.14301	1.4
374.15134	1.8
374.19336	0.6
376.16589	0.5
382.11899	0.6
383.16678	0.6
384.13339	1.3
384.17554	2.9
385.14084	1.8
386.15125	8.7
386.19659	0.7
387.15683	1.8
388.16580	1.0
389.17465	0.6
390.18460	0.5
396.17291	0.9
398.14969	2.2
399.15878	1.3
400.16751	2.9
402.14093	1.1
402.19113	1.6
403.19244	0.4
404.15717	0.7
405.16977	0.6
406.17572	0.5
410.15079	0.5
412.12738	1.1
412.16876	1.1
414.18326	1.2
415.14523	2.8
416.16098	1.8
417.16901	0.8
418.17807	0.9
420.19260	0.5
426.18314	0.8
428.16061	4.1
429.16727	1.0
430.17865	1.9
440.16028	2.8
441.16953	0.7
442.18033	0.6
443.18924	0.4
444.19803	0.4
448.18820	3.0
449.19949	0.4
456.16153	0.5
459.18118	2.2
460.18857	8.0
461.19205	0.8
465.19370	0.6
470.17136	0.7
471.17850	0.8
471.24161	0.5
472.18829	2.3
488.18008	0.5
490.20105	0.5
491.20480	0.4
495.20782	0.5
497.21765	0.5
502.20004	1.5
503.20642	1.3
504.21558	4.0
505.22223	0.5
509.21756	0.5
510.22876	0.5
511.23715	2.1
523.20215	1.4
525.25018	0.6
538.22266	1.0
539.22449	0.7
547.23853	0.4
549.25580	0.8
551.23010	3.4
552.23596	1.2
565.24872	0.9
567.26422	0.5
570.25226	0.7
571.25818	3.8
572.25439	0.4
575.23163	0.5
593.24219	16.3
594.24670	2.5
597.27344	1.1
611.25360	0.9
625.26807	100.0
626.27069	14.3
643.27295	1.8
679.10425	0.4
685.28522	4.0
686.28699	0.5
844.32709	0.4
845.32410	1.1
846.33527	1.5
847.33936	0.4
886.33124	1.4
887.33160	0.6
888.35608	0.4
918.35193	1.7
919.35675	0.8
920.36664	0.7
967.39081	3.7
968.39545	3.4
969.38873	0.6
1009.39435	15.8
1010.40149	3.5
1041.42273	55.5
1042.42432	15.3
1042.64661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99196	0.8
73.02836	1.5
74.18307	0.5
78.95795	0.6
80.04935	1.3
83.01285	1.0
85.02836	2.0
87.00775	0.9
88.98710	0.7
89.02340	5.1
93.13845	0.5
94.06539	2.9
96.95916	2.3
97.06480	0.6
101.02339	4.9
104.04958	0.8
106.06532	6.5
107.03677	5.9
108.04443	1.1
113.02363	3.7
119.03455	1.6
120.04526	1.2
120.08099	0.6
122.06039	31.0
123.04480	0.6
123.06359	1.0
132.04501	3.9
134.03711	1.0
134.06050	33.3
135.06378	1.3
136.07607	2.9
139.02707	3.7
143.21153	0.5
146.03702	0.9
147.04420	0.6
148.03992	1.1
150.05540	1.8
152.07120	37.5
153.07458	1.7
158.06059	0.7
159.04475	1.8
160.03960	2.4
162.05637	0.7
166.05104	0.7
172.05235	1.4
173.04622	1.2
173.06024	3.5
174.03224	0.8
174.05528	0.9
175.03946	0.8
175.07594	0.6
187.03975	1.8
187.07637	11.0
190.05099	2.0
191.05537	1.1
201.05603	4.8
202.06332	15.6
203.06635	0.7
211.08823	1.3
213.10361	0.9
215.11897	2.5
216.07906	0.9
223.08746	2.0
224.09509	1.0
225.10355	3.2
227.11916	1.1
231.10275	14.0
233.10590	0.7
234.07838	0.6
235.08734	1.2
236.05887	1.0
236.09691	0.8
237.06720	1.2
237.10368	2.3
238.10928	1.0
239.11922	2.0
241.13525	4.8
243.15010	0.7
245.13066	1.0
249.06677	2.0
249.10527	2.1
250.07520	1.5
251.08318	6.4
251.11966	2.6
252.08865	0.6
261.10419	1.5
263.08295	3.6
263.11935	1.2
264.09109	4.7
264.11798	0.8
265.09851	9.4
267.11481	3.6
269.12943	1.6
277.09909	4.5
278.10580	1.9
279.11398	4.3
280.12204	1.5
281.13000	1.3
283.10913	1.1
285.12491	0.9
287.14084	1.6
290.07083	0.7
290.10562	0.9
291.08002	0.9
291.11414	1.8
292.08704	1.1
292.12228	1.9
293.09341	1.8
293.12775	1.1
295.10941	2.3
304.08707	0.7
305.09442	4.0
306.09894	1.0
307.10968	2.7
313.12073	1.7
315.72897	0.6
316.14346	0.6
317.09366	1.2
318.16183	2.1
323.10522	1.0
324.10995	1.5
325.12070	2.4
327.13593	1.2
327.21854	1.4
329.15274	1.7
330.12436	1.5
330.16077	1.0
332.14294	1.0
337.11935	1.1
342.12503	1.3
342.16156	2.0
343.13272	1.1
344.13986	1.2
345.14883	1.7
346.15607	2.0
347.16306	0.6
354.12552	1.3
355.13150	1.6
356.10324	1.2
356.14087	1.6
356.17947	0.7
357.15076	1.0
358.11777	0.7
358.15649	2.5
358.19513	0.6
359.16531	1.2
360.17325	4.4
368.14084	1.0
370.11871	1.4
370.15717	1.7
371.12756	1.4
372.13303	1.3
372.17255	1.3
373.14117	0.8
374.14990	1.3
374.19183	1.1
382.11926	1.3
383.16537	0.7
384.13504	2.2
384.17398	2.3
385.14200	1.4
386.15091	18.4
387.15228	2.7
397.13733	0.8
398.15051	4.9
399.15790	2.4
400.16586	4.6
401.17075	0.8
402.18430	3.6
411.16699	55.9
412.16962	6.9
413.17416	0.8
414.18552	5.6
414.62463	0.6
415.18588	1.0
416.16299	1.3
425.17734	1.0
426.18314	2.0
427.19174	1.1
428.15753	4.3
429.16934	1.1
430.17856	0.8
440.16113	1.9
441.17050	0.7
443.18756	1.2
444.19400	0.8
446.17133	2.5
447.17883	0.8
453.17117	1.4
454.17755	1.6
456.15616	1.3
458.17368	0.9
459.18182	0.8
460.19031	1.7
470.17386	1.6
471.17999	6.7
472.18814	2.7
489.18030	0.8
490.20090	1.7
505.22922	1.2
507.24155	1.3
511.23694	0.8
519.24170	0.8
533.22540	0.9
534.23071	0.8
547.23846	2.8
549.25415	2.1
551.23187	5.6
552.23834	0.9
565.24652	2.4
567.26221	1.0
575.23090	3.1
576.22852	0.8
593.24194	100.0
594.24548	13.8
611.25110	6.0
625.26807	9.8
625.89935	0.6
626.27216	2.0
643.27936	0.9
679.28162	0.8
681.30328	2.7
842.35480	0.7
882.34534	1.2
883.35162	1.2
894.40271	0.7
896.16779	0.7
908.34930	0.8
937.42316	2.3
938.42780	0.8
963.41467	1.4
964.41364	2.2
1005.41614	82.1
1006.41998	26.0
1037.44128	12.3
1038.44421	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58721	0.5
73.02861	0.4
80.04955	0.7
83.01254	0.6
85.02856	1.0
87.00736	0.4
88.78835	0.4
88.98699	18.8
89.02351	1.5
94.02851	0.4
94.06556	2.2
95.01289	0.5
96.95934	1.4
101.02370	1.6
104.04978	0.7
106.06532	1.7
107.03671	6.6
113.02372	1.3
119.03386	0.9
120.04454	1.1
120.08115	1.1
122.02469	0.5
122.06037	35.7
123.06380	1.6
124.07569	0.7
132.04512	1.0
134.06049	8.6
134.96727	0.4
135.04408	0.8
136.07599	0.7
139.02701	3.4
149.09654	2.8
150.05560	1.4
152.07115	54.6
153.07512	3.0
153.08601	0.5
153.09001	0.4
157.04002	0.4
160.03970	1.2
161.02373	0.5
161.04620	0.5
162.05542	0.6
166.05136	0.4
167.10718	1.7
173.04451	1.0
174.05566	0.6
175.03905	0.7
176.03529	0.7
186.05540	0.4
190.05040	1.1
191.05569	0.7
193.04979	0.5
209.07220	0.4
209.11804	0.4
210.07797	0.6
211.08829	2.4
211.13440	0.5
213.10268	1.1
215.11880	1.9
219.08127	0.8
223.08803	1.7
224.09550	1.5
225.10307	3.0
227.11913	0.9
236.05945	0.7
236.09459	0.6
237.06696	3.6
237.10339	1.4
238.07224	0.9
238.10938	0.8
239.08134	0.7
239.12000	1.4
245.12965	0.5
248.09724	0.7
249.06789	0.4
249.10318	1.6
250.07425	1.4
251.08295	4.5
251.11935	0.9
252.08823	0.8
253.09846	1.0
261.10355	0.8
263.08353	1.8
263.11984	0.7
264.09155	2.5
264.11523	0.4
265.09824	3.0
266.07001	0.4
266.10291	0.6
267.11389	0.6
269.13049	0.9
273.06927	0.4
276.09058	0.5
277.09851	1.7
278.10419	0.9
279.08536	0.4
279.11423	2.2
280.12048	0.8
281.12872	0.6
283.10922	2.7
284.11697	0.4
285.12595	0.7
287.14191	1.0
291.07605	0.9
291.11227	0.6
292.11908	0.5
293.09262	0.6
295.10922	0.9
305.09314	1.5
305.12558	0.5
306.10110	0.5
306.16266	0.4
307.10989	2.3
307.14276	0.5
315.11038	0.7
318.16376	0.4
319.10941	1.2
321.09085	0.5
323.10437	1.0
324.11063	0.5
325.11923	0.8
327.21817	1.5
328.10962	0.7
329.11920	0.5
329.15405	0.5
330.12469	1.2
330.16098	0.7
331.13226	0.7
332.14050	0.5
337.12064	0.8
339.13525	3.1
340.13901	0.5
342.12534	1.1
342.16376	0.7
344.13998	1.5
345.14828	0.7
346.15674	2.0
351.13574	0.5
354.12460	0.6
355.12903	1.3
356.14008	0.7
358.11783	1.9
358.15689	1.9
359.12405	0.5
359.16602	1.1
360.17255	2.3
370.12027	1.2
370.16135	0.5
371.12469	0.8
372.13467	1.6
372.17505	1.0
373.14090	1.9
374.15039	1.3
384.13089	0.7
384.17188	1.7
385.14423	1.4
386.15060	4.4
387.15570	1.3
398.15143	1.4
399.15680	1.0
400.16769	1.4
401.17401	0.6
402.14487	1.3
402.18973	0.7
404.16049	0.7
406.17624	0.6
412.12756	0.8
414.18454	0.6
416.16080	0.8
417.17218	0.7
427.15277	0.6
428.16074	3.6
429.16302	0.5
430.17792	0.9
434.17004	0.5
440.16357	2.4
442.18008	0.6
444.19635	0.5
448.19022	1.5
449.19421	0.7
456.15668	0.5
459.17932	1.9
460.18842	7.2
461.19174	0.8
470.17392	0.6
471.18338	1.0
472.18793	1.5
473.19550	0.8
502.20010	1.5
503.20511	0.9
504.21527	4.7
505.21170	0.7
510.22736	0.7
511.23596	0.7
521.25378	0.5
523.20374	0.6
525.25146	0.6
538.22211	1.1
539.23053	0.6
549.24799	0.5
551.23517	2.2
552.23669	0.7
565.24542	0.5
566.25446	0.4
570.24713	0.4
571.25903	1.2
572.26056	0.8
575.22949	0.5
593.24133	7.5
594.24390	1.7
597.27014	0.7
611.25653	1.0
625.26807	100.0
626.27155	23.9
627.27448	2.4
643.27704	1.4
675.34821	0.6
794.10809	0.5
835.37921	0.5
908.41235	0.6
909.35840	3.7
910.35565	2.0
941.38446	1.6
958.46045	0.5
999.45789	2.3
1000.46893	0.7
1031.48865	49.0
1032.49060	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	1013.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	1.3
73.02835	0.4
73.20036	0.1
75.00797	0.1
80.04960	0.6
83.01266	0.3
83.04929	0.3
85.02841	0.9
89.02344	0.2
92.04942	0.2
94.06536	2.1
95.01312	0.4
99.00764	0.2
101.02336	0.7
104.04996	0.3
106.06526	1.0
107.03676	7.0
108.04469	0.4
108.44920	0.1
113.02364	0.5
120.04451	1.0
120.08099	0.7
121.05244	0.5
121.06547	0.2
122.06037	31.5
123.06405	0.7
123.08061	1.1
124.07596	0.4
132.04489	0.5
134.06046	6.2
135.06346	0.2
136.07590	0.7
137.09612	0.5
139.02675	2.0
146.06053	0.2
148.04002	0.2
148.07607	0.4
149.04758	0.1
150.05554	1.3
152.07112	48.9
153.07462	1.5
158.02451	0.1
158.06059	0.3
160.04004	0.6
160.54507	0.1
161.04712	0.3
162.05518	0.3
163.11221	1.3
164.07129	0.3
166.05058	0.4
171.11725	0.2
172.07634	0.2
174.05544	0.5
174.09322	0.1
176.07153	0.2
185.10803	0.2
186.05539	0.3
189.12827	1.8
190.05081	1.2
196.06364	0.1
197.07149	0.2
197.10649	0.1
199.05098	0.2
200.03506	0.3
200.07179	0.2
200.09477	0.4
207.13885	0.8
209.07150	0.4
210.07964	0.8
211.08749	1.6
213.06735	0.3
213.10333	1.3
215.08234	0.1
215.11894	2.1
221.11003	0.3
222.07954	0.3
223.05110	0.1
223.08757	1.7
224.09528	1.3
225.06715	0.2
225.10315	2.0
226.10965	0.2
227.11847	0.8
233.10822	0.1
234.07800	0.2
235.08806	0.3
236.05931	0.9
236.09566	0.4
237.06694	2.2
237.10324	1.2
237.13950	0.1
238.07384	0.5
238.11024	0.3
239.08272	0.2
239.11894	1.1
241.13470	0.4
243.15096	0.2
245.12964	0.5
247.08868	0.2
248.09587	0.3
249.06776	0.6
249.10330	0.9
250.07484	1.5
251.08286	3.9
251.11948	0.8
252.09024	0.6
253.09772	0.6
253.13647	0.2
261.10489	0.6
262.07529	0.3
262.11111	0.2
263.08310	1.9
263.11890	0.7
264.09027	1.6
264.11777	0.2
265.09866	3.7
266.10632	0.3
267.07764	0.1
267.11337	0.6
269.09451	0.2
269.13007	0.7
275.08539	0.2
276.09146	0.4
277.09781	1.2
278.10587	0.5
279.08148	0.2
279.11362	1.6
280.12140	0.2
281.09326	0.2
281.12891	0.3
282.10068	0.2
283.10947	2.7
284.11472	0.1
285.12543	0.6
287.14160	0.4
290.07159	0.2
290.10529	0.3
291.07788	0.8
291.11368	0.6
292.08536	0.4
292.12109	0.2
293.09308	0.5
293.12894	0.3
295.10849	0.8
296.08063	0.2
296.11594	0.2
297.12531	0.3
302.12796	0.2
303.07965	0.2
305.09381	1.2
305.12772	0.3
306.09964	0.3
306.16159	0.4
307.10925	1.9
308.11353	0.2
313.12137	0.1
314.09695	0.1
314.12885	0.3
315.10339	0.2
315.14111	0.2
316.11133	0.3
316.14551	0.2
317.12042	0.2
318.10068	0.2
318.16376	0.5
319.10873	0.9
321.12433	0.3
323.10330	0.6
324.11273	0.2
325.11951	0.9
326.12781	0.2
328.10907	0.7
328.14368	0.2
329.11740	0.4
330.12494	1.1
330.16235	0.5
331.13324	0.5
332.14236	0.8
337.12036	0.7
338.12683	0.3
339.13559	3.5
340.10608	0.2
340.14105	0.2
341.11685	0.3
342.08896	0.2
342.12512	1.0
342.16223	0.6
343.09579	0.2
343.13199	0.4
344.10364	0.3
344.14145	1.9
345.14813	0.8
346.15701	2.1
347.16223	0.3
351.13455	0.6
354.12372	0.2
355.13138	1.1
356.10077	0.7
356.14084	0.4
357.11090	0.3
357.14963	0.3
358.11914	1.4
358.15738	1.7
359.12573	0.2
359.16455	1.2
360.17261	1.8
361.17706	0.2
364.10638	0.3
365.11426	0.2
368.14151	0.3
369.14703	0.4
370.11996	1.1
370.15921	0.3
371.12662	0.9
371.16846	0.2
372.13516	1.8
372.17389	0.6
373.14282	1.4
373.18057	0.1
374.15170	1.3
376.16940	0.2
382.11911	0.2
383.12616	0.3
383.16776	0.3
384.12674	0.9
384.17728	1.5
385.14050	1.4
386.15125	4.5
387.15817	0.8
388.16693	0.3
389.17609	0.2
391.15335	0.2
396.17383	0.4
398.15186	1.4
399.15802	0.7
400.16632	1.2
401.17410	0.4
402.14139	1.6
402.18619	0.4
403.15057	0.2
404.15948	0.7
405.16910	0.2
406.17694	0.4
410.15259	0.3
412.12976	0.8
412.16827	0.8
414.18402	0.4
416.16318	1.0
417.17209	0.9
418.17557	0.4
420.19354	0.2
425.13620	0.2
426.18686	0.3
427.15155	0.5
428.16153	3.0
429.16614	0.5
430.17722	1.2
431.18713	0.2
434.17191	0.2
440.16190	2.3
441.16812	0.3
442.17911	0.2
443.18726	0.2
448.18900	2.1
450.20615	0.2
456.15604	0.3
459.18073	1.7
460.18860	6.8
461.19135	0.6
465.19058	0.2
471.17911	0.5
471.23941	0.3
472.18848	1.6
473.19534	0.2
476.21954	0.3
479.21124	0.2
483.23904	0.3
488.18604	0.2
490.19818	0.3
495.20831	0.5
497.22159	0.3
502.20047	1.5
503.20627	1.2
504.21466	3.8
504.29065	0.2
505.22165	0.3
509.21695	0.3
510.22745	0.4
511.23605	1.0
520.21069	0.2
523.19379	1.0
525.25177	0.8
537.21320	0.3
538.22107	0.7
539.22974	0.5
549.25140	0.8
550.25360	0.2
551.23218	2.0
552.23920	0.8
555.22845	0.1
565.24774	0.5
570.24860	0.6
571.25769	2.1
572.26013	0.3
575.22528	0.2
583.26117	0.3
593.24231	4.5
594.24664	0.4
597.27356	1.0
607.26196	0.2
611.25415	0.3
625.26776	100.0
626.27106	11.9
643.27454	0.9
657.34442	0.3
818.38940	0.4
860.39227	0.3
877.38910	0.2
890.41180	0.5
891.41901	0.3
892.42401	0.8
913.46204	0.3
939.44269	0.7
940.44849	0.7
981.45184	2.7
982.45721	0.4
1013.47858	40.8
1014.48083	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	1013.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	4.1
72.99171	0.3
73.02835	1.0
75.10020	0.3
78.95785	0.4
80.04959	0.9
83.01305	0.6
85.02855	1.5
87.00765	0.4
89.02345	1.4
92.04939	0.5
93.03371	0.9
94.06523	2.6
95.01302	0.6
96.95923	1.2
98.20559	0.4
99.00793	0.4
101.02359	1.7
104.04966	0.6
106.06556	1.6
107.03677	9.6
108.04475	0.4
109.05429	0.4
111.00759	0.3
113.02369	1.3
119.03402	0.5
120.04457	1.8
120.08104	0.9
121.05261	0.6
122.06037	39.7
123.06352	0.6
123.07996	0.3
124.07593	0.6
132.04485	0.9
134.06050	8.2
135.04515	0.6
136.07602	0.7
137.09659	0.5
139.02686	4.1
148.03960	0.4
148.07613	0.5
149.04721	0.4
150.05577	2.3
152.07114	62.5
153.07480	1.5
158.02434	0.3
160.01654	0.4
160.04028	1.0
161.04733	0.6
162.05533	0.4
163.11214	0.5
164.07048	0.4
166.05077	0.6
173.04570	0.9
174.05592	0.5
185.10841	0.4
186.05629	0.5
190.05077	1.5
191.05637	0.9
200.03476	0.6
209.07213	0.5
210.07889	0.7
211.08734	2.0
212.40721	0.4
213.10307	1.0
214.05014	0.3
215.11848	2.1
219.08076	0.4
221.10710	0.5
223.08759	2.2
224.09602	1.7
225.10358	2.5
226.10904	0.4
227.11908	0.8
235.08952	0.5
236.05894	0.9
236.09544	0.5
237.06685	3.4
237.10266	1.7
237.14151	0.3
238.07306	0.7
238.11070	0.7
239.11913	1.1
241.13399	0.7
245.13025	0.4
247.08771	0.3
248.09558	0.7
249.06789	0.6
249.10312	1.0
250.07436	1.4
250.10997	0.3
251.08308	5.4
251.11908	1.0
252.08804	0.8
253.09822	0.8
253.13498	0.5
259.95010	0.3
261.10376	0.7
262.07510	0.4
262.11264	0.4
263.08292	2.3
263.11914	0.9
264.09109	2.0
265.09882	3.9
265.12613	0.5
266.10471	0.8
267.11401	0.9
269.13071	0.7
271.10968	0.5
275.08453	0.4
277.09900	1.7
278.10492	0.8
279.11456	2.7
280.12000	0.6
281.12985	0.9
283.10950	2.3
284.11765	0.3
285.12451	1.0
287.14282	0.6
290.10559	0.3
291.07806	0.8
291.11365	0.9
292.08694	0.4
292.11932	0.3
293.09381	0.7
293.12720	0.4
295.10974	0.9
296.11697	0.4
297.12366	0.6
305.09384	1.4
305.12784	0.4
306.09973	0.5
307.11020	2.2
311.13983	0.3
316.11105	0.3
318.16144	0.7
319.10876	0.9
321.12161	0.4
323.10480	1.0
325.11975	1.0
326.13260	0.5
328.11060	0.9
329.11816	0.7
329.15298	0.7
330.12494	1.1
330.15930	0.4
331.13351	0.5
332.14053	1.0
337.12021	0.9
339.13559	4.4
342.12549	1.2
342.16220	1.0
343.09344	0.3
343.13181	0.7
344.14099	2.6
345.14767	1.1
346.15747	2.8
351.13489	0.9
354.12366	0.4
355.13211	1.6
356.10172	0.7
356.14081	0.9
357.11136	0.6
357.15237	0.4
358.11929	1.7
358.15747	2.9
359.12344	0.4
359.16434	1.7
360.17279	2.4
368.14267	0.5
370.11905	1.2
370.15955	0.5
371.12799	1.2
372.13550	2.7
372.17447	1.1
373.14368	1.7
374.15036	1.5
376.16736	0.6
382.12006	0.5
384.13586	1.1
384.17310	1.1
385.14352	1.4
386.15106	4.9
386.19656	0.4
387.15695	1.2
388.16702	0.5
396.17755	0.4
398.15054	2.0
399.15979	0.9
400.16821	1.9
402.14267	1.5
406.17685	0.5
412.12704	1.0
412.16931	1.0
416.16241	1.3
417.17203	1.2
418.17871	0.8
426.18671	0.5
427.15213	0.6
428.16049	3.3
429.16901	0.6
430.17825	1.0
434.17490	0.4
440.16220	2.2
441.16605	0.5
443.18863	0.4
448.19025	1.9
449.19559	0.5
459.18045	2.0
460.18909	7.6
461.19519	0.9
471.18005	0.7
472.18878	1.9
490.19818	0.4
502.19934	1.3
503.20682	0.9
504.21509	4.4
505.21762	0.6
511.23657	1.0
523.20032	1.2
525.25159	1.0
538.22546	0.6
539.23053	0.4
551.23334	1.9
552.23444	0.9
565.24841	0.4
570.24359	0.5
571.25781	1.6
583.25812	0.5
593.24158	4.8
594.24420	0.7
597.27197	1.1
611.25568	0.5
625.26801	100.0
626.27069	14.5
643.27740	1.2
657.33569	0.3
821.30060	0.5
890.41083	0.6
891.41339	0.6
892.42450	0.9
939.44824	0.8
940.45178	0.6
981.45496	2.5
982.45447	0.6
1013.47888	40.4
1014.48181	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	1011.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	2.7
71.47757	0.1
72.01601	0.1
72.99191	0.2
73.02838	0.7
75.00770	0.2
79.01019	0.1
80.04937	0.7
83.01289	0.4
85.02857	1.0
89.02325	1.0
92.04987	0.3
94.06528	2.5
95.01304	0.3
97.02840	0.2
99.00783	0.3
101.02343	1.5
104.04972	0.5
106.06510	1.1
107.03677	7.8
108.04526	0.3
109.06469	0.2
113.02352	1.0
115.37237	0.1
115.57549	0.1
116.19798	0.1
119.03421	0.2
120.04465	1.0
120.08144	1.0
121.05263	0.5
122.06036	36.9
123.06372	1.2
123.07980	0.2
124.07604	0.6
132.04485	1.0
134.05017	0.3
134.06046	6.5
135.06340	0.2
136.04012	0.2
136.05199	0.7
136.07596	0.9
138.06781	0.9
139.02684	2.6
139.03699	0.2
139.07538	0.2
146.06064	0.3
148.04018	0.3
148.07643	0.3
150.05537	1.7
151.07570	0.8
152.07114	55.7
153.07451	1.8
153.09158	2.3
158.02415	0.2
158.06026	0.2
160.03947	0.7
161.04655	0.5
161.07141	0.2
161.09686	0.4
162.05571	0.4
163.11186	0.6
164.07187	0.2
166.05032	0.3
172.07596	0.3
173.04610	0.2
174.05614	0.5
176.03532	0.2
176.07133	0.2
180.06677	0.1
185.10857	0.2
186.05597	0.4
187.11305	0.3
188.07007	0.1
190.05045	1.4
190.09782	0.2
197.07144	0.3
199.05075	0.2
200.03519	0.5
200.09552	0.4
202.04956	0.2
205.12343	2.8
209.07190	0.7
209.10793	0.2
210.07906	0.9
211.08749	1.8
212.05615	0.2
212.07414	0.2
212.09329	0.2
213.10326	1.3
214.04987	0.2
215.11868	2.1
221.10854	0.5
223.05191	0.2
223.08760	1.8
223.13191	0.2
224.09503	1.8
225.10352	2.6
226.10960	0.2
227.11885	0.7
233.10828	0.2
234.07829	0.3
235.08788	0.4
235.12221	0.2
236.05881	0.7
236.09555	0.4
237.06712	3.3
237.10306	1.6
238.07193	0.4
238.11186	0.5
239.11911	1.3
241.13481	0.6
243.15057	0.3
245.13029	0.5
248.09521	0.3
249.06726	0.6
249.10425	0.9
250.07452	1.6
250.10130	0.2
250.10963	0.2
251.08269	5.0
251.11977	1.0
252.08983	0.8
253.09863	0.8
255.11234	0.2
261.10266	0.7
262.11020	0.4
263.08295	1.9
263.11945	0.5
264.09021	1.9
265.09875	4.2
265.12741	0.3
266.10599	0.3
267.11432	0.6
269.09583	0.3
269.12982	0.6
270.10196	0.4
275.08395	0.2
276.09033	0.5
277.09930	1.5
278.10541	0.6
279.11411	1.9
280.11984	0.3
281.09494	0.3
281.12976	0.7
283.10876	2.3
284.11420	0.2
285.12433	0.9
287.14227	0.8
289.09824	0.3
291.07770	1.0
291.11426	0.8
292.08713	0.3
292.12012	0.3
293.09247	0.5
293.12796	0.3
294.10135	0.2
295.10956	0.8
296.11713	0.3
297.12518	0.3
302.13535	0.2
305.09528	0.9
305.12634	0.2
306.10086	0.4
306.16092	0.3
307.10907	2.2
308.11377	0.2
309.12546	0.4
311.14209	0.2
313.12143	0.3
314.13147	0.2
315.10141	0.3
315.13901	0.2
316.10947	0.3
316.14362	0.3
318.16159	0.4
319.10818	1.0
320.11606	0.2
321.08728	0.2
321.12344	0.2
323.10388	0.9
324.11255	0.5
325.12064	0.6
326.12720	0.3
327.13800	0.3
328.11096	0.7
328.14539	0.2
329.11655	0.4
329.15228	0.3
330.12531	1.5
330.16138	0.3
331.13467	0.8
332.14038	0.8
332.17664	0.2
337.12070	0.6
338.12714	0.4
339.09482	0.2
339.13547	3.8
340.14255	0.3
341.11847	0.2
342.12512	0.8
342.16364	0.7
343.09708	0.2
343.13290	0.6
344.10294	0.2
344.14078	1.8
345.15027	0.8
346.15689	2.3
347.16183	0.3
351.13586	0.7
355.13184	1.2
356.10016	0.8
356.14111	0.5
357.11136	0.6
357.15076	0.4
358.11935	1.4
358.15744	1.8
359.12704	0.2
359.16495	1.2
360.17249	2.1
361.17606	0.3
365.11517	0.3
367.12915	0.2
368.14044	0.4
369.15033	0.3
370.11801	1.4
371.12619	1.1
371.16702	0.2
372.13519	2.0
372.17407	0.6
373.14313	1.5
374.15118	1.2
376.16724	0.4
380.13977	0.3
381.14819	0.2
382.11832	0.3
382.15942	0.2
383.12289	0.3
383.16705	0.3
384.13062	0.8
384.17587	1.8
385.14124	1.5
386.15146	4.4
386.19690	0.3
387.15735	0.9
388.16724	0.4
390.18115	0.2
396.17218	0.4
397.14417	0.3
398.15143	1.1
399.15942	0.6
400.16705	1.4
401.17224	0.6
402.13922	1.0
402.18875	0.4
404.15790	0.7
406.17596	0.5
410.15259	0.2
411.15903	0.3
412.12122	1.0
412.16931	0.7
413.13312	0.2
414.18353	0.6
415.19580	0.2
416.16016	1.1
417.17090	0.8
418.17645	0.4
425.13513	0.2
427.15427	0.4
428.16055	3.2
429.16592	0.4
430.17804	1.1
431.18488	0.3
434.17603	0.2
440.16278	2.1
441.16833	0.2
442.17914	0.4
443.18509	0.2
448.19116	2.0
449.19620	0.2
454.17264	0.2
456.15509	0.2
459.18185	1.8
460.18857	6.6
461.19238	0.7
465.19379	0.3
470.17181	0.3
471.17865	0.5
471.24146	0.3
472.18854	1.6
473.19449	0.3
476.21628	0.2
479.21127	0.2
483.23798	0.2
488.18048	0.2
490.20221	0.4
494.23410	0.2
495.20514	0.3
502.19925	1.2
503.20728	0.9
504.21524	3.9
505.21619	0.4
509.21893	0.3
510.22870	0.5
511.23575	0.8
523.19550	1.2
525.25073	0.8
526.25305	0.2
537.21777	0.4
538.22302	0.6
539.22943	0.4
549.25006	0.5
551.23206	2.1
552.24005	0.7
555.22601	0.2
565.24921	0.4
570.24829	0.6
571.25916	1.9
572.25934	0.3
575.23413	0.2
593.14575	0.3
593.24194	4.9
594.24445	0.7
597.27020	1.1
610.24072	0.2
611.25201	0.3
625.26782	100.0
626.27100	16.0
643.27344	0.8
655.32733	0.5
665.49475	0.2
778.06323	0.2
806.14722	0.2
815.36945	0.3
816.37372	0.4
856.37628	0.2
858.38855	0.2
888.39435	0.7
889.41083	0.3
890.41327	0.6
937.42004	0.8
938.43170	0.9
979.43622	2.2
980.43561	0.6
1011.46295	30.1
1012.46631	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	1011.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15913	0.5
70.16323	1.0
71.01265	3.5
72.99183	0.6
73.02845	0.9
80.04949	1.0
83.01259	0.4
83.04937	0.4
85.02840	1.0
89.02338	1.3
94.06524	2.3
95.01296	0.4
96.95936	0.3
98.19817	0.3
99.00772	0.4
101.02340	1.4
104.04968	0.6
106.06537	1.8
107.03674	8.3
108.04537	0.4
113.02346	1.1
119.03407	0.4
119.32389	0.2
120.04471	1.4
120.08069	0.6
121.05242	0.5
122.06036	38.2
123.06370	1.4
123.08055	0.5
124.07596	0.6
132.04480	1.1
133.02927	0.3
134.05009	0.6
134.06038	11.0
136.05229	0.6
136.07590	0.9
138.06738	0.4
139.02676	3.5
148.04033	0.4
148.07629	0.5
150.05542	1.8
151.07619	0.6
152.07109	57.3
153.07475	2.1
153.09099	1.4
155.71236	0.2
158.02409	0.8
158.06030	0.4
160.04021	0.9
161.04668	0.6
163.11237	0.7
166.05063	0.7
171.10255	0.3
173.04529	0.6
174.05562	0.6
188.61411	0.3
190.05075	2.4
191.05554	0.7
200.03529	0.5
200.09515	0.4
205.12291	2.0
207.09207	0.3
209.07225	0.6
210.07982	0.8
211.08728	2.0
213.06683	0.3
213.10320	2.7
215.11880	2.2
221.10875	0.4
222.08005	0.4
223.08743	1.8
224.09465	1.5
225.10342	2.8
226.10863	0.3
227.11913	0.9
233.10782	0.3
235.08778	0.4
236.05894	1.1
236.09444	0.4
237.06715	3.2
237.10292	1.4
238.07208	0.5
238.11053	0.5
239.08148	0.5
239.11928	1.8
241.13495	0.7
243.15149	0.6
245.12946	0.3
248.09619	0.5
249.06783	0.9
249.10306	1.2
250.05234	0.3
250.07449	1.7
251.08269	4.2
251.11938	1.5
252.08727	0.7
253.09775	0.9
261.10324	0.6
262.07489	0.3
263.08246	2.0
263.11896	0.5
264.09045	1.4
265.09903	3.7
266.10471	0.6
267.11475	2.2
269.12973	1.0
271.10849	0.3
276.09106	0.3
277.09824	1.8
277.12695	0.3
278.10544	0.8
279.08542	0.3
279.11456	2.1
280.12088	0.4
281.13065	0.7
282.10141	0.3
283.10974	2.0
285.12512	2.0
287.14072	0.9
289.10059	0.3
291.07800	1.0
291.11469	0.9
292.08450	0.5
292.12030	0.3
293.09387	0.8
293.13007	0.7
294.06015	0.3
294.09470	0.3
295.10861	1.0
297.12442	0.4
300.11493	0.4
304.14600	0.4
305.09421	1.3
306.10126	0.5
306.16168	0.4
307.10852	1.8
308.11392	0.5
314.13358	0.3
316.11163	0.4
316.14615	0.8
317.12317	0.3
318.16180	0.6
319.10968	0.7
323.10437	1.3
324.11353	0.5
325.11932	1.2
326.12732	0.3
327.13525	0.5
328.10883	1.0
328.14301	0.4
329.11758	0.5
329.15268	0.5
330.12503	0.9
330.16150	0.5
331.13257	0.5
332.14017	0.9
333.15021	0.2
337.12027	0.8
338.12622	0.5
339.09900	0.4
339.13541	3.4
340.11026	0.4
340.14496	2.0
341.11444	0.4
341.15353	0.3
342.12494	1.3
342.16144	0.7
343.09497	0.4
343.13443	1.0
344.14111	2.8
345.14725	0.9
346.15707	2.3
351.13492	0.7
354.08658	0.3
354.12753	0.8
355.13144	2.5
356.10385	0.6
356.14124	1.6
357.14737	0.7
358.12140	1.8
358.15759	2.1
359.12518	0.4
359.16486	1.2
360.17285	2.5
365.11246	0.4
368.10104	0.5
368.14069	0.6
369.15094	0.4
370.11975	1.5
370.16052	0.6
371.12622	1.4
372.13406	2.5
372.17401	0.7
373.14331	1.3
374.15167	1.3
376.16885	0.5
381.14832	0.5
382.11871	0.6
383.12369	0.4
384.13184	2.7
384.18033	1.5
385.14166	1.3
386.15131	4.3
386.19678	0.3
387.15729	1.1
388.16724	0.5
389.17361	0.4
396.17551	0.6
397.14447	0.5
398.15131	2.0
399.15881	0.9
400.16788	1.5
401.17422	0.5
402.13977	1.3
404.16202	0.4
405.17032	0.3
406.17859	0.3
410.15036	0.4
412.12665	0.9
412.17554	1.2
413.17462	0.4
414.18701	0.7
416.16260	1.0
417.16953	0.7
418.17813	0.6
426.14172	0.4
428.16000	2.9
429.16489	0.5
430.17892	0.7
438.14871	0.3
440.16180	2.3
448.18848	1.6
449.19797	0.5
453.16864	0.4
456.15359	0.5
459.18112	1.8
460.18869	6.6
461.19107	0.7
465.19510	0.5
469.22409	0.4
471.18121	0.6
472.18848	1.6
481.22638	0.4
490.19882	0.5
495.20212	0.5
502.19949	1.2
503.20523	0.8
504.21378	3.3
505.22165	0.4
509.22015	1.2
510.22458	0.6
511.23499	0.9
523.20203	0.6
525.25262	0.9
538.22058	0.8
539.22632	0.3
545.22156	0.4
547.23901	0.6
551.23059	1.6
552.23572	0.7
565.24695	0.6
569.24005	0.5
570.24896	1.0
571.25775	2.3
591.22595	5.0
592.23132	0.5
593.24152	6.2
594.24854	0.8
597.27173	1.0
611.25873	0.5
623.25000	1.1
625.26776	100.0
626.27130	15.3
626.37781	0.5
643.28131	1.7
655.32446	3.1
656.32788	0.3
685.29681	0.5
745.31055	0.5
816.37744	0.5
888.39374	0.6
889.40472	0.4
890.40680	0.8
937.42297	1.8
938.43182	2.0
975.45587	0.6
976.47260	0.3
979.43872	5.7
980.44330	1.7
1011.46277	57.1
1012.46533	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	1001.571
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32777	0.6
70.33173	0.5
71.01268	11.8
71.04891	2.0
72.99187	0.9
73.02839	1.5
75.00747	0.5
78.95749	0.3
81.03342	0.6
83.01278	1.1
85.02842	2.7
86.40350	0.3
87.00778	2.3
89.02338	10.4
93.03358	0.4
95.01324	0.4
95.04928	0.3
96.95906	0.9
97.02849	1.5
97.06499	0.6
99.00777	0.8
101.01704	0.6
101.02344	9.3
107.04922	0.7
109.02869	0.5
109.06484	1.5
113.02346	4.4
119.03411	2.7
119.08603	0.3
121.02866	0.3
121.10100	0.7
122.06038	0.7
123.04394	0.3
125.02361	3.2
125.09607	1.7
127.07502	0.5
134.03603	0.3
134.05983	0.3
137.09645	2.3
141.01813	0.4
143.03412	1.7
152.07141	0.8
161.04524	1.6
165.12773	0.3
171.10223	5.6
172.10580	0.4
173.04462	0.5
179.05559	1.9
182.13174	0.3
183.13867	19.5
184.14191	0.8
185.04494	0.4
185.11804	2.2
191.05557	0.5
197.11794	1.2
207.13925	0.4
209.11780	1.2
210.12167	0.5
211.13385	6.5
219.13670	0.3
221.06578	0.9
235.08228	3.5
235.17047	0.5
236.05388	0.3
237.15054	0.4
241.95546	0.3
247.20621	0.6
249.22173	0.3
251.16518	4.7
252.16814	0.4
253.09325	1.3
259.07825	0.3
263.07800	0.5
265.21829	1.3
273.18637	0.3
275.20175	5.6
276.20560	0.3
277.08752	0.3
277.50012	0.3
287.07388	1.4
291.19720	8.1
292.20215	0.7
293.21286	100.0
294.21606	6.6
305.08881	1.1
309.20776	16.9
310.21188	1.6
323.09818	0.6
330.24179	0.3
397.13577	38.5
398.13907	2.5
415.14658	32.6
416.14835	1.8
449.12646	0.5
625.26599	0.4
691.35602	16.4
692.35760	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	1001.5711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01276	11.3
71.28809	1.6
72.99168	0.8
73.02831	1.9
81.03323	1.1
81.35215	0.7
83.01277	1.4
85.02853	3.2
87.00789	1.9
88.09756	0.7
89.02341	8.9
90.02718	0.8
92.33710	0.8
95.01291	1.6
96.95906	3.1
97.02844	2.7
99.00834	0.9
101.02344	9.5
109.06481	0.9
111.08028	0.9
113.02354	4.0
119.03434	2.1
122.06062	1.3
123.08040	1.0
125.02353	2.2
125.09629	0.8
131.03505	1.0
137.09711	1.9
143.03404	1.9
153.12827	0.9
161.04480	1.7
163.11217	3.0
165.12762	4.9
171.10208	2.6
175.04031	1.6
179.05629	2.9
179.14386	1.6
181.12311	1.4
183.13754	0.8
190.02760	0.8
193.15984	0.8
195.13803	6.8
205.16141	0.9
209.11815	2.0
211.13422	1.9
223.13344	5.4
227.12857	3.3
228.13805	1.2
235.08269	3.3
247.20639	4.1
253.09276	1.8
273.18677	1.7
275.20224	4.8
287.07837	1.0
291.19724	35.4
292.20129	4.7
293.21292	100.0
294.21616	5.4
305.08759	1.5
309.20767	51.8
310.20956	4.0
397.13562	39.3
398.13818	2.3
415.14670	44.2
416.15088	2.2
654.27478	1.8
691.35577	16.5
692.36279	2.5
966.74585	0.9
1019.45264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.6
69.07067	10.7
69.71710	1.8
69.72126	3.1
71.04991	1.6
72.73100	0.8
77.03926	1.0
79.05054	1.1
79.05494	13.8
79.37407	0.8
80.05026	1.7
81.03419	5.3
81.05783	1.3
81.07057	15.5
82.06586	1.5
83.04987	4.5
83.08618	6.3
85.02882	2.4
85.06536	1.3
91.05481	22.3
93.05792	1.5
93.07046	22.7
94.06574	13.0
94.07140	1.3
94.07396	0.8
95.04967	8.4
95.07345	7.4
95.08613	6.9
96.08132	13.4
97.02892	2.3
97.06531	5.4
98.20844	1.2
99.04462	1.0
100.49130	0.7
103.05453	2.7
105.05914	0.8
105.07034	22.5
106.06572	1.8
107.04970	1.7
107.07374	2.0
107.08599	30.4
108.04470	5.2
108.08121	27.4
109.02892	3.9
109.06512	10.6
109.10174	4.9
110.09686	27.8
111.08065	2.1
115.05461	2.9
116.06235	1.1
117.07035	5.9
118.06575	1.2
119.08586	24.3
120.04482	1.3
120.08105	21.0
121.06486	3.9
121.10150	14.9
121.72363	0.8
122.06036	13.1
122.09657	3.6
123.06767	1.0
123.08092	5.8
123.11695	6.1
124.07587	1.7
127.03927	2.6
128.06229	1.2
129.06993	3.3
131.08571	21.3
132.04395	0.8
133.10130	29.4
134.06020	4.6
134.09676	1.3
135.08057	25.8
135.11682	2.7
136.07578	18.8
136.08542	0.5
137.09592	0.9
138.09140	35.5
143.08580	6.0
144.09322	2.7
145.02870	1.3
145.10104	9.3
146.06000	2.8
146.09657	1.4
147.11688	16.8
148.07594	12.8
149.09613	3.5
149.13275	7.3
150.09164	6.9
151.11157	1.2
152.05566	0.7
152.07039	4.6
153.09119	4.2
157.10156	1.3
158.09778	1.3
158.10909	8.3
159.11676	0.9
160.03960	11.5
160.07568	2.7
162.05489	1.1
162.09114	1.0
163.14793	3.5
164.07063	3.8
165.12715	0.9
166.08646	33.1
168.10236	1.4
170.09602	1.1
172.03944	2.3
173.13268	47.3
174.05531	2.9
174.09142	1.2
176.07098	1.0
177.05455	1.5
178.05032	2.8
178.08665	1.0
186.05440	1.2
186.09148	1.5
188.07104	1.2
190.04970	1.9
190.08720	1.1
191.14313	100.0
192.06560	0.9
192.10091	1.0
192.14633	1.4
196.09869	1.1
197.10822	1.4
198.09087	1.3
199.08678	2.0
200.10724	1.5
202.05058	1.1
204.06609	3.4
208.09743	1.7
209.10657	0.9
209.15421	7.1
210.11441	1.4
211.08696	6.0
211.12314	4.8
212.09268	2.1
212.13089	1.0
213.06563	1.4
213.10298	6.7
214.08669	1.7
216.10269	2.6
221.10634	1.0
223.08681	7.0
223.12137	3.9
224.09428	2.6
224.12949	1.6
225.10231	24.0
225.13853	3.5
226.10933	10.6
227.08211	2.4
227.11749	11.2
228.12309	1.2
229.13414	0.9
232.09715	1.8
234.11482	1.0
235.08740	4.6
235.12334	2.3
236.09428	2.5
236.13008	1.5
237.10243	14.6
237.13805	4.6
238.10959	9.0
239.08212	11.0
239.11794	41.4
240.12566	12.4
241.09682	2.3
241.13387	5.7
244.09647	3.0
246.11293	2.1
248.09535	2.6
249.10222	9.1
250.10977	12.0
251.08249	5.4
251.11801	39.4
252.06630	1.4
252.08972	3.4
252.12502	10.0
253.07233	0.9
253.09744	16.1
253.13362	35.0
254.10501	11.8
254.13676	4.1
255.11275	2.9
255.15024	1.0
257.09192	1.6
261.10178	1.2
262.10986	1.5
263.11816	23.4
264.09070	1.7
264.12534	5.6
265.09753	15.2
265.13354	41.3
266.10516	9.8
266.13928	6.6
267.11279	26.2
267.14804	4.8
268.11996	4.8
269.09418	1.4
269.12848	3.1
271.10873	4.3
274.10867	0.9
275.11765	2.2
276.12509	1.6
277.10071	4.6
277.13354	3.8
278.10477	7.3
279.11252	24.1
280.12042	6.8
281.12854	44.2
282.13483	2.9
283.10764	10.2
283.14343	2.3
284.11499	3.0
285.12350	21.0
285.15533	1.2
286.13116	5.5
287.13947	1.2
289.13544	1.5
290.10626	1.0
291.11328	9.4
292.11899	3.0
293.09531	1.4
293.12811	23.3
294.13629	2.6
295.10825	4.6
295.14355	6.5
296.11435	4.1
296.14612	1.1
297.12357	13.9
298.13077	5.8
299.13876	16.2
303.10886	1.0
305.09308	1.4
305.12735	1.9
307.10770	4.8
307.14133	1.6
309.12354	39.1
310.13043	4.8
311.13898	29.6
312.14551	3.3
313.12024	2.1
313.15436	5.6
319.10919	4.4
321.12360	11.5
323.13953	3.8
324.14493	1.2
325.11758	4.1
325.15475	1.9
327.13376	30.1
328.14252	2.0
328.22830	1.1
333.12531	1.5
335.13873	2.0
337.11740	5.6
337.15421	1.2
338.12625	1.9
339.13379	9.4
340.14279	1.3
341.14963	49.3
342.15646	2.6
343.12915	1.5
343.17148	1.0
344.13959	1.6
344.17627	1.3
346.15814	1.1
351.13373	6.6
352.14014	1.6
353.14993	15.8
354.15732	1.1
355.12894	2.1
355.16650	2.3
357.14673	5.1
358.15326	3.6
359.16324	4.4
360.16928	2.3
365.14993	1.5
367.12756	1.3
367.16803	1.6
368.13498	1.8
369.14487	27.0
370.15118	2.9
371.11798	1.1
371.16119	15.5
372.17249	3.9
374.18936	1.5
379.12662	1.6
381.14499	3.6
383.16272	4.0
384.16864	2.4
386.14902	2.2
386.19199	1.1
387.15790	1.5
389.14865	1.2
393.14447	1.1
395.16040	2.7
397.13876	1.5
398.14365	1.3
399.15598	3.1
400.16449	4.0
401.16980	3.6
402.17972	2.0
403.12802	1.4
405.14233	1.0
407.16202	5.0
409.17657	2.4
411.15530	15.1
412.16333	1.6
413.12009	1.6
413.17035	12.3
414.18103	3.4
415.19238	1.1
416.19702	3.1
417.14560	1.3
418.17514	3.3
419.15851	1.0
420.18625	1.5
423.15329	2.9
425.17218	8.8
426.17676	1.2
427.14490	1.4
429.16483	9.3
430.17340	4.0
432.19174	4.5
433.19705	1.2
434.21109	1.4
435.15509	9.2
437.17105	4.8
439.19327	1.2
440.15634	2.4
441.16498	5.9
442.17520	2.9
443.18091	11.2
444.19128	1.9
446.20914	2.4
447.15372	1.1
448.18539	2.3
451.14874	1.7
453.16589	29.0
454.16803	1.7
455.18152	8.8
456.19174	1.3
458.16730	1.3
459.17441	1.6
460.18713	3.2
461.18649	1.0
462.20197	3.8
463.14865	2.5
465.16513	3.5
466.17395	1.0
467.18405	4.9
469.15436	1.2
471.17661	31.4
472.18054	3.0
473.19302	11.1
474.20200	8.6
479.18292	2.8
480.21371	4.5
481.15128	4.2
483.17459	5.1
485.19272	5.4
490.19583	2.6
492.21429	12.4
495.17798	4.1
497.19302	7.1
499.17151	1.6
501.18539	3.5
502.19626	2.2
503.20163	5.6
506.22852	5.1
513.18512	11.3
514.19470	1.5
515.20398	15.0
516.20978	1.2
522.22266	9.7
528.21149	2.4
531.19757	6.8
531.28296	1.5
532.20264	1.1
533.21460	9.3
534.22241	14.4
540.21082	1.2
542.22754	1.3
546.22461	1.3
556.20898	3.4
558.22394	2.6
560.24084	1.8
562.21503	4.4
564.23401	2.1
568.20465	2.7
570.21924	1.4
572.23755	2.3
574.21820	5.4
576.23120	1.8
578.24451	1.5
582.23785	1.7
586.21509	9.0
588.23322	16.0
590.24957	3.6
592.22797	6.4
594.24500	45.7
595.24756	3.6
600.23468	16.6
603.25537	1.4
604.22668	5.3
606.14905	1.9
606.24451	32.3
607.24182	1.6
613.26819	1.9
618.24512	40.6
621.26813	1.1
622.24109	3.4
624.25494	50.8
625.25757	1.7
627.28082	4.6
631.24750	1.6
632.25970	4.5
636.25513	67.0
637.25671	2.0
642.26093	2.6
645.28674	1.6
648.25183	1.2
650.27148	2.8
652.24725	2.5
654.26556	23.5
664.24969	11.5
666.26624	1.5
667.27789	2.5
668.28497	2.1
669.28943	1.9
677.29700	1.6
685.27686	1.3
687.29822	5.7
693.28870	4.8
703.27808	4.0
707.30872	18.9
711.30115	2.7
721.28741	15.2
725.31812	56.1
726.31934	1.8
729.30737	1.3
735.29889	5.6
739.29865	9.1
743.32880	19.3
744.32922	1.6
753.31287	41.4
754.30530	2.3
757.30743	10.2
761.33936	8.9
771.32373	26.7
772.33539	1.2
778.36725	1.1
789.19244	1.5
789.33344	25.5
796.37744	2.4
806.32684	1.4
814.39227	8.2
826.39386	1.3
832.40234	1.5
844.39954	1.9
979.46930	1.9
997.48120	11.9
998.44885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	2.3
69.07043	1.5
69.93195	7.9
79.05486	7.4
80.04998	2.6
81.03418	6.4
81.05779	1.7
81.07065	3.6
82.06579	3.0
83.04983	2.6
85.02890	2.8
91.05485	13.6
93.05778	1.6
93.07039	13.6
94.06566	18.6
95.04932	5.0
95.07364	9.6
95.08591	4.2
96.08122	21.8
97.02871	4.8
97.06507	2.4
103.05450	2.9
105.07023	9.8
106.06570	2.6
107.04977	3.5
107.07317	3.0
107.08583	12.3
108.04499	9.7
108.08112	32.9
109.02852	4.0
109.10149	5.4
110.09678	41.7
115.05376	3.5
117.07023	3.9
118.06533	1.9
119.08562	3.8
120.08104	33.7
121.06512	2.7
121.10115	5.5
122.06021	18.6
122.07294	4.9
122.09688	4.2
123.06832	2.3
127.03909	3.7
132.04462	3.4
132.08084	2.3
133.10118	23.0
134.05994	5.3
135.08073	9.6
135.11671	1.7
136.07579	21.4
137.06000	3.6
137.09612	24.7
138.09134	61.4
145.02888	2.0
145.10104	2.8
146.06053	3.0
148.07571	16.7
149.13257	4.6
150.09160	8.7
152.07030	4.3
160.03938	16.5
160.07541	3.1
162.05476	2.1
163.03879	1.7
164.06972	3.6
166.08636	54.2
172.03949	4.7
174.05508	3.7
174.09146	3.8
177.05432	6.4
178.04984	3.9
180.10272	2.2
186.09222	1.7
190.04965	3.2
191.14296	3.6
192.06578	2.1
194.08202	1.9
197.10573	1.8
199.08688	2.4
200.10809	2.4
202.05019	1.9
202.08516	1.6
204.06535	6.1
208.09639	1.7
210.11382	3.2
211.08641	6.2
211.12286	4.2
212.09409	3.8
213.06638	2.5
213.10178	8.6
214.08791	1.9
221.10814	1.7
223.08717	8.6
223.12277	4.5
224.09296	3.5
225.10201	30.6
225.13831	5.5
226.10971	19.8
227.11772	16.8
229.13280	3.9
232.09659	1.8
234.11432	2.3
235.08649	4.1
235.12302	3.3
236.09344	3.0
237.10210	21.3
237.13887	4.1
238.10954	12.0
239.08176	16.6
239.11783	59.5
240.12505	15.6
241.09677	4.5
241.13368	8.0
244.09676	3.9
246.11241	2.7
248.09499	4.9
249.10274	13.1
250.10968	15.0
251.08098	8.5
251.11781	49.9
252.09058	4.3
252.12520	13.7
253.09695	26.4
253.13344	50.2
254.10458	21.6
254.14017	5.4
255.11154	5.1
261.10211	3.3
263.11792	30.6
264.09109	1.9
264.12488	9.8
265.09741	24.5
265.13327	52.8
266.10504	17.5
266.14023	6.6
267.11295	40.5
267.14822	5.6
268.12000	7.6
269.09189	1.7
269.12793	6.8
271.10825	8.0
275.11749	3.0
277.09738	7.8
277.13370	5.5
278.10284	10.8
279.08307	3.1
279.11279	33.7
280.12155	7.5
281.12845	79.1
282.13416	3.8
283.10675	13.3
283.14337	4.8
284.11584	6.4
285.12329	26.8
286.12985	6.0
289.13373	1.7
291.11310	13.1
292.12045	3.8
293.09647	2.4
293.12811	30.9
294.13501	4.0
295.10760	9.0
295.14368	10.7
296.11551	6.9
297.12372	16.1
298.13065	7.7
299.13876	34.3
303.11267	2.2
303.14764	1.9
305.12674	3.5
307.10886	8.3
307.14059	2.3
309.12338	65.4
310.12842	6.3
311.13913	34.0
312.14734	2.6
313.11835	3.2
313.15369	8.2
319.10822	8.2
321.12338	16.7
323.10153	2.8
323.13916	5.8
325.11798	6.3
325.15555	4.7
326.12573	3.7
327.13382	51.2
328.14105	4.4
329.15594	2.0
335.13876	3.0
337.11789	9.8
337.15417	1.8
338.12631	3.8
339.13409	15.5
341.14969	60.2
342.15860	2.0
343.16876	2.0
348.02887	1.8
351.13232	7.9
352.13718	1.9
353.14929	18.8
355.12808	2.7
355.16684	3.2
356.13794	2.3
357.14709	7.7
358.15347	3.5
359.16010	6.4
360.16916	2.7
368.13162	1.7
369.14444	42.6
370.15176	5.8
371.16016	19.3
372.17010	5.7
373.17786	2.8
374.18542	1.9
379.16824	2.6
381.14337	6.0
383.15808	5.9
384.17059	3.0
385.17807	2.6
386.18845	3.0
388.16351	2.5
389.14859	2.7
395.16150	3.5
399.15469	4.9
400.16400	3.8
401.17230	7.8
402.17914	4.2
405.14478	2.0
407.15982	6.1
409.17346	2.6
411.15457	25.8
412.16150	4.2
413.17175	17.9
414.18182	6.5
416.19577	5.0
417.14764	2.0
418.17746	4.8
419.16183	2.4
420.19406	2.9
421.17255	2.1
423.15491	5.2
425.17105	18.8
427.18521	2.3
428.19931	2.0
429.16681	19.5
430.17404	6.1
432.19034	5.4
433.13879	2.3
434.20847	3.8
435.15518	15.5
437.17041	5.5
439.14413	3.3
441.16510	7.7
442.17276	4.5
443.17947	19.0
444.19257	2.5
446.21082	1.9
447.15356	3.1
448.18378	5.3
449.17166	2.0
451.14651	4.7
453.16528	52.8
454.16928	3.7
455.17932	10.8
456.18756	2.2
460.18536	5.9
462.20187	3.8
463.15280	3.8
465.16693	10.0
467.18030	4.8
469.15750	3.9
471.17606	53.3
472.18280	3.4
473.19083	15.4
474.20288	12.3
479.18011	2.4
480.21243	3.2
481.16119	6.6
482.16388	1.9
483.17722	8.2
485.19217	8.1
486.19977	1.8
490.19763	3.0
491.20016	1.6
492.21140	11.6
495.17450	4.0
497.18924	6.4
498.19641	2.3
499.16928	3.3
501.18625	7.0
502.19299	4.3
503.20056	6.8
504.21393	1.7
506.22888	4.1
513.18829	13.7
514.19208	3.3
515.20264	15.9
522.22485	15.2
528.20801	1.8
531.19775	10.9
533.21265	14.2
534.22284	19.3
535.22192	2.5
540.21075	2.8
542.23041	2.2
547.53223	1.8
556.20630	5.4
558.21899	2.5
562.21741	6.4
564.22845	1.9
568.20636	3.3
574.21783	14.1
576.23608	4.6
582.23572	2.6
586.21832	17.2
588.23499	22.4
590.24542	2.8
592.22937	14.6
594.24438	58.8
595.25049	6.6
600.23456	20.9
602.25745	1.9
603.25629	3.5
604.22858	18.7
606.24408	48.6
608.25928	1.8
610.23932	6.8
613.26495	4.5
618.24506	47.4
619.24542	3.8
622.24139	13.8
624.25458	89.9
625.25812	3.3
627.27826	2.9
631.25372	4.8
632.25507	6.0
636.25470	100.0
637.25635	3.0
642.26013	7.4
643.27960	2.2
645.29156	2.3
650.26752	2.3
652.24524	2.1
654.26459	41.8
655.27533	2.4
664.24689	8.9
667.28461	2.4
668.27228	3.0
669.28680	2.8
675.28369	3.0
677.30365	2.2
679.31818	4.9
684.27124	5.2
687.29944	8.1
691.31610	2.8
693.29114	11.2
703.27454	4.4
707.31042	16.2
711.29755	6.6
721.28571	35.7
725.31781	71.0
726.32440	3.8
729.31384	3.9
735.30402	7.3
739.29590	28.2
743.32941	27.7
753.31274	80.7
754.31024	3.5
757.30524	28.6
758.29523	2.3
761.33655	12.0
771.32391	29.3
775.31122	5.3
778.36719	4.0
782.36151	3.2
789.33472	41.0
796.36865	3.5
800.37317	7.6
812.37347	16.0
814.38251	3.6
826.38318	4.5
844.40234	23.3
947.44647	3.1
965.44086	3.2
975.32019	1.8
979.46271	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	997.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	10.8
69.07065	8.6
71.59029	9.3
71.59396	5.9
79.05477	18.9
81.03412	20.8
81.07075	12.3
82.06537	7.6
85.02883	10.0
88.40711	5.4
91.05486	44.8
93.07049	37.0
94.06565	26.6
95.04960	15.0
95.07343	18.1
95.08601	11.1
96.08138	25.4
97.02879	10.2
97.06532	13.9
103.05450	5.4
105.07030	94.5
106.06576	6.6
106.07336	11.4
107.08596	26.8
108.08138	46.4
109.02874	11.5
109.06495	8.6
109.10124	7.7
110.09669	39.5
111.04504	9.2
111.08109	13.1
117.07030	10.3
119.08593	51.6
120.08102	32.7
120.08889	9.5
121.06538	6.1
121.10142	21.5
121.18601	6.0
122.05997	28.8
122.09680	8.9
127.03921	10.8
129.06972	16.3
130.07825	7.0
131.08566	53.8
133.10109	20.0
133.13043	5.9
134.05957	8.4
135.08057	9.1
136.07564	24.4
137.06033	11.5
138.09129	58.3
143.08531	42.8
144.09315	8.2
145.02800	12.6
145.10117	25.1
147.04382	6.7
147.11685	19.0
148.07562	20.1
149.13281	8.5
150.09126	11.5
152.07036	10.5
158.09694	5.5
158.10881	25.8
160.03903	19.3
161.13229	15.4
162.13531	8.4
164.07100	7.9
166.08661	49.8
167.08977	6.2
172.04007	6.4
173.13271	70.9
177.05499	28.6
191.14301	51.8
196.09868	6.2
204.06595	5.5
211.08702	7.0
211.12299	7.3
212.09076	5.9
213.10210	10.3
223.08698	13.7
223.12262	5.5
225.08308	4.8
225.10211	33.3
225.13760	5.8
226.08551	5.0
226.10912	21.7
227.11743	20.1
235.08487	6.2
236.09401	7.6
237.10291	22.6
237.13876	8.7
238.10963	25.1
239.08089	22.4
239.11751	73.9
240.12444	19.5
241.13145	9.4
249.10193	17.9
250.10979	24.1
251.08009	8.7
251.11810	73.0
252.08960	8.5
252.12328	18.8
253.09749	20.1
253.13400	51.1
254.10390	17.5
254.13751	9.4
255.11182	9.2
255.14032	6.2
263.11752	40.3
264.12500	12.5
265.09903	32.3
265.13336	63.4
266.10425	19.6
266.13864	15.4
267.11298	39.0
268.12012	12.9
271.10757	10.2
277.09921	9.4
277.13412	8.0
278.10440	12.1
279.11270	36.5
280.11795	14.7
280.15164	5.2
281.12842	69.8
282.13348	14.0
283.10760	20.5
283.13760	8.1
284.11325	8.0
285.12259	34.2
286.12973	9.0
291.11176	14.1
293.12799	33.0
294.13269	6.7
295.14352	9.2
297.12289	19.7
298.13123	11.5
299.13821	31.2
307.10663	5.6
309.12299	49.5
310.12790	16.8
311.13950	43.2
312.14307	8.9
313.15564	15.5
321.12320	13.7
325.11835	6.8
327.13345	39.8
328.13663	14.8
337.11954	6.1
339.13483	17.8
341.15070	66.3
342.15262	15.3
344.13947	6.4
351.13248	8.9
353.14868	29.5
357.14380	7.4
358.15256	8.6
359.15991	7.2
369.14523	39.5
370.14972	9.7
371.15952	26.7
373.17285	6.0
381.14236	9.4
401.17056	7.1
411.15469	21.2
413.16983	21.5
414.17795	11.5
416.19733	7.6
418.17242	7.0
425.17209	10.2
426.18033	6.7
429.16489	21.7
430.17059	7.3
435.15466	12.5
437.16827	11.6
439.50452	5.7
441.16159	7.8
443.18024	19.9
453.16608	36.6
454.17075	8.6
455.17865	17.6
460.18106	5.8
462.20181	6.2
463.15247	8.3
465.16422	6.8
471.17731	48.4
472.17981	16.2
473.18982	27.8
474.20013	17.7
483.17493	9.5
485.18921	6.9
490.19913	6.7
492.21024	15.5
493.20786	6.1
497.18781	9.2
501.18646	8.7
503.19733	9.2
513.18793	17.7
515.20062	26.7
517.20978	7.8
522.22241	15.9
531.19611	21.5
533.21332	30.5
534.22272	29.1
535.22528	12.0
556.20038	7.9
574.21851	13.6
576.22992	7.6
582.24548	8.6
586.22058	16.5
588.23334	25.6
589.23529	8.9
592.23096	10.9
594.24524	65.8
595.24774	23.2
596.24908	12.1
600.23169	26.2
606.24615	36.1
607.24738	7.3
608.25012	7.1
618.24634	46.1
619.24384	11.3
620.24408	6.9
624.25549	84.2
625.25964	19.0
626.25812	16.6
632.25629	13.5
636.25543	100.0
637.25897	27.8
638.25598	16.1
650.26862	14.6
652.24756	9.1
654.26605	81.9
655.26636	10.7
656.26727	7.4
666.25952	6.9
668.27808	15.4
669.28461	7.2
693.28723	9.0
707.30145	15.9
709.31219	8.8
721.28265	17.8
722.28699	6.2
723.29907	6.3
725.31561	66.7
726.31531	17.4
727.31262	18.0
735.29083	12.4
739.29315	17.5
741.29651	10.8
743.32434	26.4
745.32990	10.4
753.31116	63.1
754.31189	17.6
755.31073	24.8
757.30408	20.0
759.30054	7.9
771.31702	25.7
772.33221	8.9
773.32007	16.9
778.36163	8.5
789.33197	38.5
790.32788	7.2
791.33258	8.6
796.37219	20.3
814.38953	46.6
832.39825	17.8
979.47260	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	997.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38113	4.0
71.58659	5.6
79.05498	8.0
80.68781	3.1
81.03422	11.7
81.07064	3.8
91.05505	15.4
93.07047	8.1
94.06577	13.4
95.04977	5.2
95.07343	9.9
95.08589	4.0
96.08110	21.8
97.06537	4.6
105.07034	5.5
107.04966	4.5
107.08619	6.1
108.04483	7.2
108.08121	27.9
110.09677	39.0
115.05381	3.4
118.06519	3.5
119.08570	5.2
120.08095	26.0
121.06434	3.2
121.10183	5.2
122.06035	19.4
127.03905	6.2
133.10150	16.4
134.06027	4.8
135.08043	9.1
136.07581	17.1
137.09572	18.3
138.09143	49.0
145.02803	3.8
146.06042	4.4
148.07574	11.0
150.09189	8.0
160.03941	12.1
160.07547	3.2
163.03870	3.4
166.08669	43.7
167.07068	3.9
172.04034	4.4
177.05484	11.1
190.04987	3.9
193.94812	3.2
204.06569	6.3
211.08760	5.0
213.10260	9.1
214.08603	3.9
223.08641	7.1
223.12297	4.0
225.10249	29.5
225.13625	4.1
226.11024	13.0
227.11855	14.4
235.08583	3.9
237.10254	18.5
237.14041	4.0
238.10991	10.1
239.08202	16.3
239.11775	47.5
240.12573	12.7
241.13319	4.7
249.10223	11.2
250.11050	14.0
251.08080	7.1
251.11836	46.0
252.12563	12.1
253.09737	16.1
253.13364	46.3
254.10487	15.8
263.11798	27.1
264.12595	4.1
265.09793	21.7
265.13342	44.2
266.10449	10.7
266.13989	5.8
267.11288	32.0
267.14694	6.4
268.12006	8.2
269.12814	3.8
271.10889	4.6
274.27502	5.3
277.09854	4.3
278.10593	7.3
279.11249	35.4
280.12021	6.1
281.12839	61.2
282.13705	3.5
283.10730	9.5
284.11359	3.4
285.12415	17.8
286.13232	8.0
291.11346	10.1
293.12805	25.3
295.14441	6.0
296.11661	3.6
297.12384	15.3
298.12991	6.8
299.13995	22.8
307.10608	5.7
309.12338	46.3
311.13916	31.6
312.14420	4.3
313.15588	8.1
321.12335	9.7
325.11761	5.8
327.13406	34.4
337.11838	7.0
339.13345	12.9
341.14984	58.2
351.13663	4.5
353.14682	16.1
355.16428	4.7
357.14612	6.4
358.15463	9.0
369.14404	34.3
371.16080	17.5
381.14517	3.7
383.16071	7.6
388.16522	5.5
401.16791	5.9
407.16113	4.6
411.15399	18.0
413.17093	10.1
414.17929	6.9
416.19623	4.7
420.19028	4.6
425.17151	12.7
429.16779	11.1
430.17664	6.0
434.50916	3.9
435.15579	12.9
441.16428	6.5
442.17322	5.4
443.18271	16.9
444.19485	4.4
453.16547	41.7
455.18109	8.2
463.15274	4.2
465.16858	4.7
471.17639	48.3
473.19281	10.2
474.20193	9.3
480.21100	4.0
481.15826	4.7
483.17706	5.1
485.18970	7.3
492.21173	11.6
503.19812	6.2
513.18579	15.0
515.20496	16.4
522.22040	7.8
531.19800	9.6
533.21375	10.8
534.22021	15.8
542.23206	4.1
556.20514	7.6
562.21857	6.3
574.21393	9.5
576.23181	5.9
586.21832	13.7
588.23322	21.0
592.22662	6.4
594.24518	62.4
600.23376	19.4
603.25854	4.4
604.22797	11.1
606.24463	38.4
610.23779	6.3
613.26471	4.1
618.24573	42.5
622.23700	6.7
624.15979	6.0
624.25452	87.3
627.28009	5.5
632.25507	6.8
636.25488	100.0
654.26569	42.3
664.24841	12.7
666.25940	4.7
668.28192	4.8
673.01300	3.6
687.30176	5.8
693.28827	6.2
703.27081	5.1
707.30688	24.9
721.28845	26.4
725.31824	79.6
735.29102	8.2
739.29688	16.9
743.33142	25.7
753.31250	76.6
757.30872	18.8
761.33936	16.1
771.32465	30.7
778.36597	6.7
789.33386	40.5
796.37872	4.6
800.37317	8.4
812.37494	5.8
814.38153	5.3
844.39337	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	993.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07104	0.2
71.07373	2.2
79.05482	0.7
81.07060	0.5
86.09705	25.9
91.05537	0.2
93.07035	0.4
95.08642	0.4
98.98458	1.5
104.10754	2.8
105.07021	0.2
107.08574	0.3
125.00004	17.8
137.05893	0.2
139.07343	0.2
143.00995	0.4
166.02673	0.3
172.13208	0.2
184.07338	100.0
185.07744	0.4
185.41698	0.2
227.13795	0.2
335.25787	0.5
372.80301	0.2
500.31396	1.6
518.32452	26.4
519.32788	0.6
751.49396	0.3
812.52045	0.3
913.53992	0.4
931.54926	0.5
944.36780	0.2
957.56647	0.4
975.59430	1.1
993.56012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	1.7
69.07070	2.5
69.47517	6.8
71.04990	1.6
77.03929	0.8
79.05502	7.0
80.05037	1.0
80.83562	0.7
81.03416	3.1
81.07066	4.9
85.02904	2.1
91.05478	11.5
93.07041	12.0
94.06589	4.2
95.04956	7.5
95.07363	2.2
95.08595	1.6
96.08127	4.7
97.02897	1.3
97.06534	9.5
103.05473	3.9
104.01485	0.9
105.07030	100.0
106.07297	0.9
107.04991	1.4
107.08596	10.1
108.04496	1.9
108.08122	9.9
109.02895	1.8
109.06516	1.8
110.09683	9.1
115.05434	0.9
116.06221	1.0
117.03382	1.1
117.07022	4.5
119.04961	1.1
119.08578	37.4
120.08115	6.5
120.08864	1.2
121.06505	1.1
122.06039	5.0
122.09715	0.9
127.03897	1.4
128.06241	3.6
129.06987	3.0
130.07823	0.8
131.08568	8.2
132.04480	1.2
132.08171	0.8
133.06491	1.7
133.10130	6.7
134.06047	1.6
135.08096	1.2
136.07582	5.9
137.05980	2.5
138.09137	14.2
141.06985	1.4
142.07811	1.1
143.08562	9.9
144.09247	0.8
145.02856	2.1
145.06506	0.9
145.10107	6.5
146.06035	1.7
147.04480	1.1
147.08083	1.4
148.07530	4.2
150.05516	0.7
150.09148	2.0
152.07123	1.4
156.09322	7.2
159.11725	3.1
160.03914	3.5
161.13255	18.9
162.05510	0.9
162.09204	1.0
163.03871	1.2
164.07092	2.1
166.08633	12.3
171.11691	7.9
172.03899	1.2
172.07642	0.9
173.13197	1.4
174.05618	1.0
177.05464	3.9
178.04974	1.0
184.07373	1.2
189.12740	5.7
190.04999	1.0
192.06786	1.1
199.08737	1.5
204.06566	2.0
211.12276	1.6
212.09389	1.3
213.10229	2.4
223.08607	2.5
223.12392	1.0
224.09392	1.3
225.10262	8.4
225.13760	1.1
226.11040	2.8
227.11745	4.7
237.10217	4.3
237.13782	1.1
238.11003	4.2
239.08145	3.9
239.11752	12.6
240.12573	3.2
241.09630	1.4
241.13333	2.3
246.11249	1.2
249.10185	4.4
250.10844	4.8
251.08107	1.5
251.09055	1.2
251.11784	12.7
252.12535	3.5
253.09729	4.4
253.13388	10.3
254.10539	4.7
254.13892	1.2
255.11356	1.0
255.14885	0.9
263.11832	6.7
264.12558	1.8
265.09784	5.0
265.13370	14.0
266.10440	2.9
266.14093	1.2
267.11322	9.6
267.14667	1.7
268.11871	1.1
269.12772	1.6
271.10574	1.7
277.09738	1.4
277.13315	1.0
278.10562	1.6
279.11270	7.8
279.14072	1.2
280.12000	2.8
281.12854	16.0
282.13446	1.7
283.10831	3.9
283.14078	1.6
284.11398	0.9
285.12323	7.4
286.13187	2.0
291.11237	2.4
292.11835	1.2
293.12781	8.3
294.13495	1.0
295.10669	1.8
295.13992	1.4
296.11816	1.3
297.12238	3.7
298.13138	2.3
299.13931	6.9
307.10739	1.6
309.12350	16.0
309.15753	1.6
310.12909	1.8
311.13913	8.9
312.14633	1.0
313.15485	2.2
319.10724	1.4
321.12451	3.8
323.13879	1.6
325.11722	1.8
325.15561	1.0
327.13391	9.8
335.13770	1.2
337.11856	1.9
339.13364	3.5
340.14294	1.1
341.14957	14.5
351.13428	2.6
353.14911	5.5
355.16748	1.0
357.14923	1.5
358.15451	1.3
359.16138	1.4
369.14548	11.4
370.15070	1.3
371.16068	3.8
372.17136	1.1
383.16043	2.2
386.18973	1.6
395.16217	1.0
401.17072	2.7
407.15714	0.9
411.15460	5.0
413.16956	6.1
414.18106	1.0
416.20050	1.1
423.15915	1.0
425.17062	2.9
429.16522	2.7
430.17499	2.1
431.18222	1.0
432.19263	1.5
435.15561	3.9
437.17044	1.1
441.16525	2.3
442.17624	1.6
443.17859	4.5
453.16489	10.4
454.17172	0.9
455.18018	2.2
456.18951	1.0
460.18588	2.3
462.20166	1.1
465.16672	2.0
471.17667	11.8
473.19287	4.8
474.20218	3.8
481.15802	1.2
483.17395	1.7
485.18842	2.1
492.21283	3.3
494.21463	1.1
497.19528	1.6
499.16705	1.2
501.18954	1.7
502.19653	1.2
503.20367	2.1
504.21518	1.1
506.22232	1.6
513.18781	4.6
515.20276	6.2
522.22266	4.7
531.19904	3.6
533.21619	5.0
534.22223	5.5
556.20599	2.1
558.22162	1.1
568.20886	1.2
574.21606	3.0
582.23785	2.0
586.22424	3.6
586.30798	0.8
588.23419	6.3
592.22827	3.4
594.24469	20.3
595.25128	3.0
600.23486	7.4
603.25568	1.1
604.22552	3.8
606.24384	12.8
613.26648	1.1
618.24512	11.7
619.24396	1.1
622.24286	1.8
624.25494	28.4
625.25940	1.5
631.25287	0.9
632.25330	1.2
636.25482	26.8
637.25812	2.1
650.26892	1.8
652.24963	1.0
654.26666	15.8
655.27124	1.1
664.24615	2.9
668.27698	2.2
675.27649	1.1
687.29834	1.8
693.29327	1.7
707.30878	5.0
711.29657	1.0
721.28912	6.1
725.31848	21.5
726.32031	1.6
727.34369	0.9
729.31122	1.5
735.29993	2.5
739.30377	3.9
739.41791	1.1
743.32935	8.1
744.32349	1.1
753.31274	17.2
754.31012	2.0
755.28394	1.1
757.31177	5.1
761.34302	4.6
771.32147	8.7
772.32092	1.8
776.35083	1.5
789.20734	1.0
789.33478	8.8
812.36078	2.5
995.45593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	0.3
70.06574	0.2
70.08443	0.4
71.07373	5.6
71.08630	1.3
74.96147	0.1
79.05428	0.1
81.07050	0.7
83.08609	0.4
85.10194	0.7
86.09702	46.7
86.79440	0.1
87.10017	0.3
89.05997	0.1
91.05501	0.1
91.79382	0.1
93.07047	0.1
95.08604	0.8
97.06534	0.3
97.10140	0.1
98.20824	0.1
98.98461	2.7
104.10740	95.3
105.11073	0.4
109.10115	0.5
123.11674	0.2
124.99999	24.4
137.05969	0.2
139.01579	0.3
143.01003	0.4
163.01573	0.9
166.02672	0.3
181.02600	0.5
184.07333	100.0
185.07663	0.5
198.08928	0.4
199.03725	0.2
233.11916	0.1
239.23729	0.1
240.09845	0.1
258.11066	0.8
313.27390	2.3
419.25333	0.5
447.85391	0.1
475.37445	0.1
478.32953	7.6
479.33234	0.2
496.33948	89.7
497.34341	1.8
510.35495	1.4
599.43860	1.7
829.51447	0.2
991.67297	9.1
992.67432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	7.0
69.03407	8.5
70.05034	10.9
79.05492	4.4
80.05000	2.9
81.03428	11.7
81.07054	3.7
83.04971	3.0
85.02913	10.4
88.58372	2.0
91.05464	7.5
93.05746	2.5
93.07037	12.9
94.06567	18.9
95.04946	3.9
95.07339	7.6
96.08134	25.7
97.02874	5.7
97.06532	4.6
99.04453	2.4
103.05476	4.4
105.05770	2.4
105.06995	2.3
106.06542	3.1
107.07364	2.3
108.04479	8.9
108.08117	48.8
109.02890	10.0
109.03529	1.9
110.09682	43.6
119.04969	2.6
120.08108	33.4
122.06028	23.5
122.09666	10.4
123.06739	3.5
124.07583	3.5
127.03927	9.0
129.05415	1.9
132.04449	2.6
132.08084	4.6
134.05966	6.6
136.07584	26.6
137.05934	3.5
137.08382	2.8
137.09665	1.7
138.05435	3.0
138.09143	66.6
145.02750	2.0
146.05972	5.6
147.04398	5.2
148.07567	19.7
150.05435	2.1
150.09157	15.3
152.07045	7.6
160.03947	19.5
160.07617	4.1
161.49402	1.9
164.07088	6.8
166.08646	87.7
167.07236	1.8
169.05112	1.9
172.03923	8.5
172.07474	2.4
174.09180	3.1
177.05524	2.9
178.04988	4.6
178.08586	2.5
181.08710	2.2
190.05063	4.9
192.06570	3.3
197.10710	3.2
199.08772	3.4
200.06935	2.0
204.06557	9.1
205.08960	1.8
208.09827	3.2
210.11490	3.1
211.08661	7.9
211.12338	5.8
212.09380	3.8
212.12904	2.2
213.10272	9.0
216.10289	2.6
221.10632	3.9
223.08696	10.9
223.12265	7.5
224.12906	2.2
225.10228	41.5
225.13803	6.3
226.08794	3.6
226.10919	15.0
227.11786	17.3
228.12384	2.3
229.13326	2.6
235.08586	3.0
235.12296	3.3
236.09489	5.8
237.10236	27.5
237.13806	7.0
238.11003	20.4
239.08180	13.7
239.11792	64.9
240.12578	16.2
241.09666	3.5
241.13318	6.6
244.09543	2.8
246.11342	4.2
247.12198	2.9
248.09518	6.1
249.10236	14.7
250.11029	14.4
251.08173	8.4
251.11786	70.0
252.08890	3.6
252.12546	12.8
253.09706	27.1
253.13347	46.8
254.10495	18.9
254.14146	5.4
255.07739	2.4
255.11241	5.1
262.10938	3.6
263.09021	2.2
263.11832	39.2
264.08896	4.5
264.12546	8.8
265.09760	31.6
265.13336	63.6
266.10480	16.2
266.13818	4.6
267.11276	42.2
267.14801	6.8
268.11932	6.0
269.12827	6.5
271.10880	10.1
275.11768	3.6
276.12515	3.0
277.09790	9.0
277.13126	4.1
278.10477	10.9
279.11285	44.5
280.11996	8.9
281.12860	76.0
282.13376	2.5
283.10715	15.3
283.14420	6.1
284.11462	5.4
285.12329	37.5
286.13071	7.9
291.11304	19.6
292.11981	3.2
293.09613	3.7
293.12827	34.7
294.13504	4.3
295.10788	6.3
295.14374	11.7
296.11530	5.4
297.12338	19.9
298.13107	11.4
299.13892	31.6
300.14627	2.9
303.11063	3.3
305.12741	3.8
307.10873	7.1
308.11282	3.1
309.12332	65.7
310.12848	6.7
311.10260	4.5
311.13843	38.3
311.17239	3.7
312.14474	3.3
313.12012	3.6
313.15469	10.8
319.10815	9.0
321.12198	14.4
323.13831	4.7
325.11841	7.1
325.15494	4.6
326.12610	4.0
327.13434	41.4
330.16208	2.7
333.11908	2.8
337.11823	8.2
338.12585	2.5
339.13443	15.9
340.14502	5.1
341.14954	62.2
342.15607	2.9
343.13046	2.7
343.16757	3.3
349.11682	2.3
351.13446	9.6
352.14395	2.5
353.15042	22.6
354.15591	2.6
355.16592	3.6
356.14203	2.3
357.14444	8.1
358.15247	5.8
359.15930	6.5
360.17059	2.6
365.10953	2.2
365.15060	4.0
369.14410	46.1
371.16077	22.4
372.16919	6.3
381.14441	6.5
383.16049	10.6
385.17566	3.1
386.18829	2.5
389.14972	2.5
395.16125	2.5
398.14804	2.7
399.15439	5.5
400.16382	6.1
401.17255	10.0
402.18176	4.8
407.15988	5.6
409.18054	3.3
411.15509	28.3
412.16367	3.8
413.17291	15.6
414.18054	7.2
416.19702	3.9
418.17505	3.7
419.16302	2.7
425.17203	11.5
429.16568	19.5
430.17679	6.6
431.18420	3.4
432.19153	6.0
435.15466	18.7
437.16837	6.2
439.14792	4.2
440.15448	4.6
441.16779	9.6
442.17667	5.3
443.18317	18.2
446.21143	2.4
448.18359	4.3
452.15637	2.4
453.10596	2.9
453.16635	44.2
454.17001	2.9
455.17987	7.5
460.18576	7.4
462.19992	3.9
463.15042	2.8
465.16672	9.4
467.17996	5.7
469.15903	3.3
471.11160	3.9
471.17584	55.4
472.18134	3.6
473.19238	17.5
474.20013	11.2
480.21161	4.2
481.15836	7.2
482.16589	3.7
483.17599	10.3
484.18774	2.5
485.19211	7.1
492.21213	13.5
497.19006	4.6
499.16910	5.9
501.18369	9.3
502.19577	3.6
503.20071	7.2
504.21265	2.6
506.22638	5.4
513.18713	16.5
514.19293	3.8
515.20306	19.3
516.20709	3.0
522.22302	14.1
531.19794	14.4
533.21173	24.3
534.22412	23.1
556.20685	8.4
558.21863	4.7
562.21625	4.1
564.23047	2.3
568.20514	3.4
572.22937	2.5
574.21539	9.8
576.22766	3.4
582.24103	3.3
586.22101	15.6
588.23431	26.7
590.24799	2.9
592.22894	14.0
594.24469	72.6
595.25098	3.0
600.23492	26.3
604.22839	10.7
606.24487	43.6
610.23737	3.8
613.26538	5.4
618.24445	42.3
622.24139	11.9
624.25513	93.9
625.26056	2.8
627.27783	3.5
632.25519	4.8
634.23859	4.7
635.24280	3.0
636.25531	100.0
642.26135	4.4
645.29260	3.7
649.25818	2.8
650.26776	4.4
652.24677	5.6
654.26685	38.8
654.37604	2.2
655.26733	2.6
664.25171	13.9
667.26691	11.6
668.28308	9.8
669.28973	3.1
675.27161	2.8
687.30292	16.6
693.28754	5.3
703.27649	3.1
707.30530	13.6
711.29315	4.0
721.28693	22.5
725.31775	69.4
729.30872	4.2
735.30719	9.6
739.29431	20.5
743.32898	27.4
753.17792	4.2
753.31317	76.4
754.31238	5.0
757.30762	34.9
761.34290	12.8
762.27856	5.7
771.32428	33.2
775.30682	6.2
789.33441	64.2
793.29309	2.6
797.30347	4.2
798.30066	5.6
807.34161	4.6
815.31097	3.1
829.32440	6.9
830.33771	2.9
847.33008	5.0
887.36084	2.6
919.35339	4.2
937.35437	2.6
951.37531	3.3
969.39105	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	969.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	7.1
69.03438	7.3
69.55473	3.8
69.55886	8.9
70.06601	1.7
73.02917	1.9
79.05495	7.0
80.05011	2.2
81.03419	9.7
81.05787	1.6
81.07070	2.9
85.02903	9.8
91.05487	6.1
93.07035	12.8
94.06562	18.4
95.04984	5.0
95.07341	10.9
95.08604	3.3
96.04516	1.5
96.08131	19.0
97.02886	5.3
97.06554	3.1
98.21501	2.1
99.04465	2.0
103.05437	3.3
105.07013	2.7
106.06556	2.6
107.04955	1.8
107.07360	3.1
107.08610	3.0
108.04499	5.6
108.08119	33.8
109.02892	6.8
109.10129	2.2
109.16351	1.4
110.06050	1.6
110.09683	34.9
111.04459	2.1
117.07047	1.9
118.06519	2.0
119.08605	2.6
120.08108	26.9
121.06523	1.7
121.10087	1.8
122.06039	18.1
122.09669	4.9
123.17402	1.5
124.07595	4.3
127.03909	5.9
131.08684	1.5
132.04491	2.3
132.08093	2.3
133.10211	1.7
134.06017	5.8
136.07574	24.0
137.05988	5.5
137.08315	2.2
138.04366	1.7
138.09140	58.7
138.78186	1.6
144.08173	1.8
146.06035	4.7
146.09647	2.1
148.07547	14.3
150.05501	2.3
150.09102	12.2
152.07071	6.5
153.43251	1.7
160.03954	13.4
160.07616	2.8
162.05534	3.9
164.07079	7.3
166.08647	58.3
172.03957	6.0
172.07570	2.2
174.05508	2.5
174.09058	1.8
177.05516	3.5
178.05026	3.3
178.08722	2.6
180.08812	7.7
180.10213	2.3
186.09267	2.1
190.04968	3.2
197.10765	2.6
199.08685	5.0
200.06950	1.6
202.08824	2.2
204.06566	5.5
208.09689	2.3
209.10709	2.5
210.11407	3.3
211.08618	8.1
211.12288	6.0
212.09288	4.0
212.12816	1.8
213.06673	2.0
213.10185	10.9
214.08896	2.8
216.10149	2.9
219.07677	1.5
221.10889	2.0
222.11360	2.5
223.08713	5.0
223.12311	4.2
224.09399	2.6
225.10226	34.5
225.13884	4.1
226.10979	12.1
227.08076	2.8
227.11765	15.8
228.10196	2.0
229.13478	2.5
232.09796	1.7
235.08672	6.5
235.12344	3.3
236.09470	5.7
237.10178	16.0
237.13879	6.6
238.10965	15.3
239.08195	15.3
239.11794	50.5
240.12581	13.2
241.09698	4.0
241.13367	7.3
244.09790	3.5
246.11386	2.8
247.12206	1.6
248.09386	2.1
249.10210	13.4
250.10883	17.0
251.08092	7.6
251.11787	58.5
252.09001	5.0
252.12503	12.0
253.09761	20.8
253.13380	43.7
253.19411	3.4
254.10483	19.2
254.14044	6.9
255.11165	3.5
255.15065	1.7
262.10934	2.4
263.08765	2.5
263.11801	31.7
263.14450	2.4
264.08945	2.4
264.12552	7.0
265.09778	21.7
265.13385	56.4
266.10580	12.1
266.13605	8.6
267.11295	35.6
267.14877	4.6
268.12167	8.3
269.12766	5.9
271.10730	8.2
271.20563	1.9
275.11780	2.9
277.09698	5.6
277.13364	3.7
278.10458	10.1
279.11288	30.9
280.12091	6.9
281.12833	60.9
282.13623	2.4
283.10825	12.9
283.14142	3.4
284.11578	2.6
285.12341	26.0
286.13132	6.5
291.11353	10.2
292.11926	5.3
293.09494	1.7
293.12848	29.1
294.13318	2.9
295.10776	5.7
295.14447	10.5
296.11578	4.8
297.12360	16.7
298.13144	8.0
299.13904	27.3
303.10913	1.6
305.12750	2.4
307.10779	6.2
307.14221	2.3
308.11316	1.9
309.08707	3.0
309.12305	55.1
310.12769	5.2
311.10248	2.7
311.13904	41.7
312.14499	3.7
313.11975	3.2
313.15405	6.8
319.10486	3.1
319.14267	1.8
321.12424	11.6
323.13803	4.5
325.11880	6.3
325.15393	3.5
326.12589	2.2
327.13428	38.5
329.15173	1.9
337.11801	5.3
338.12613	4.1
339.13513	13.8
340.14496	1.9
341.14963	65.6
342.15582	3.3
344.13895	2.8
351.13461	10.1
352.14014	1.7
353.14969	21.4
355.16751	1.8
356.13928	2.4
357.14603	5.7
357.40121	1.7
359.15839	6.3
369.14432	37.5
370.15210	4.4
371.16016	18.5
379.13004	2.6
381.14365	4.9
383.15958	6.4
384.16910	2.5
386.18576	3.4
387.15848	3.1
393.14355	1.9
395.16031	2.8
399.15640	5.9
400.16376	3.4
401.17108	6.9
402.18018	3.0
405.14267	2.3
407.16092	4.1
409.17551	3.4
411.15543	20.8
412.16159	3.2
413.17078	15.6
414.18201	8.9
416.19855	2.7
417.14951	1.9
418.17715	2.2
420.18726	2.4
423.15427	3.2
425.17096	11.6
429.16510	14.4
430.17661	4.6
431.18350	2.2
432.19171	5.1
434.20441	2.4
435.15518	12.6
437.17047	5.1
439.14679	3.3
441.16318	7.5
442.17493	4.5
443.18109	18.7
446.20538	3.8
447.15421	3.2
453.16504	40.0
454.16925	3.9
455.18240	8.3
460.18665	4.5
462.20126	5.2
463.14975	3.1
465.16727	8.7
466.17386	1.7
467.18179	4.9
470.17059	2.0
471.17603	48.8
472.17734	2.4
473.19312	18.9
474.20438	15.0
480.21191	3.6
481.16028	5.7
482.17099	1.8
483.17416	7.2
485.19156	6.1
492.21307	16.0
495.17575	2.1
497.19113	5.4
499.17282	2.0
501.18463	3.7
502.19748	3.3
503.20483	7.3
506.22864	5.2
513.18555	19.5
514.19336	3.0
515.20148	21.8
516.21063	3.1
522.22473	15.4
528.21692	2.5
531.19702	10.0
532.20416	2.1
533.21405	18.4
534.22516	19.6
542.22943	2.2
553.22186	2.0
556.20728	4.3
558.22284	3.9
562.22070	5.9
564.23199	2.5
568.20807	4.4
574.22003	5.9
576.23181	3.1
582.23871	1.9
586.21973	11.3
588.23456	24.8
592.22754	9.0
594.24487	77.6
595.24823	5.3
600.23499	17.8
603.25500	2.0
604.22369	11.0
606.24536	39.1
607.24811	4.1
608.25061	1.9
610.23956	3.7
618.24420	40.0
619.24146	2.5
622.23987	5.7
624.25507	85.2
625.25726	5.9
627.28168	4.8
631.24896	3.0
632.25323	5.2
635.25262	3.1
636.25513	100.0
637.25854	7.4
642.25769	3.2
650.27258	2.5
652.25305	4.2
654.26465	35.3
655.26904	3.3
664.24768	17.6
667.27679	5.0
668.27820	4.9
669.28510	2.6
675.27637	2.3
687.30103	11.7
693.29333	9.0
703.27295	3.9
707.30829	22.4
711.29865	4.9
721.28644	19.3
722.29199	1.9
725.31848	84.1
726.31732	7.7
729.31042	4.5
735.29559	7.9
739.29340	15.6
743.32861	27.8
744.33954	3.2
753.31256	63.6
754.31140	8.5
757.30768	20.9
761.33789	13.8
762.28436	2.5
771.32227	37.1
772.31366	3.8
775.31201	4.9
789.33405	47.1
790.33826	3.6
798.30890	3.6
815.29626	1.7
887.36121	4.3
901.34705	2.4
915.35742	2.1
919.35315	2.9
933.37372	2.4
969.41980	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	969.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	9.2
69.03419	9.2
69.57420	27.6
70.06565	3.7
71.04996	4.1
79.05472	7.6
81.03413	12.3
81.07040	3.7
81.36864	3.5
83.04975	3.0
85.02895	10.2
86.54286	2.9
91.05465	15.5
93.07041	13.4
93.66264	3.0
94.06562	24.0
95.04945	4.1
95.07364	16.5
96.08135	20.1
97.02906	11.3
97.06509	4.6
99.04488	5.0
103.05453	4.1
107.07311	4.1
108.04488	11.1
108.08112	46.3
109.02867	9.6
110.02568	3.6
110.09675	45.9
120.08118	31.4
122.06006	16.4
122.09657	8.7
124.07606	3.4
127.03908	10.7
131.08543	4.7
133.10147	5.4
134.06007	5.6
136.07571	18.8
137.06013	7.0
138.09138	61.9
144.66171	3.4
145.02866	5.3
145.06400	3.3
147.04408	7.7
148.07578	12.6
150.05515	4.0
150.09160	7.4
152.07056	8.2
160.03931	17.2
160.07573	5.0
163.07474	3.9
164.07024	4.8
166.08649	49.4
167.07104	4.1
172.03954	6.9
177.05501	8.0
179.53899	3.1
190.05011	4.6
204.06584	10.2
211.12332	6.7
212.09438	5.3
213.10292	9.8
223.08701	9.6
224.09428	5.7
225.10260	31.4
226.11008	16.1
227.11804	19.3
235.08624	4.1
237.10216	17.7
238.10989	15.8
239.08156	16.0
239.11763	55.9
240.12561	16.5
241.13268	5.6
249.10289	15.6
250.10999	18.9
251.08067	3.4
251.11823	55.2
252.12509	8.6
253.09731	23.5
253.13354	50.4
254.10399	18.4
254.14311	3.8
260.24359	3.9
263.11810	32.4
264.08957	5.9
264.12500	6.7
265.09723	20.6
265.13348	42.9
266.10541	19.7
266.14075	8.3
267.11371	41.7
267.14221	6.6
268.11917	7.4
271.10751	6.8
275.11887	4.3
277.09842	4.7
277.13110	5.1
278.10599	11.6
279.11288	25.5
280.11868	9.2
281.12851	67.7
283.10855	11.3
283.14261	4.4
284.11517	4.9
285.12329	26.3
286.13037	6.1
291.11279	13.6
292.12082	6.3
293.09555	5.8
293.12787	27.4
295.10831	6.4
295.14380	9.6
296.11572	6.9
297.12311	14.7
298.13086	4.1
299.13892	31.0
307.10806	8.3
309.12332	50.6
310.13193	4.4
311.10568	4.7
311.13852	32.7
312.14490	5.1
313.15439	10.7
313.64615	3.4
321.12326	13.1
323.13965	4.6
325.11871	6.1
327.13367	44.5
328.13928	4.0
337.11798	4.5
338.12604	4.9
339.13391	12.2
341.14969	69.8
351.13370	8.6
353.15106	16.0
356.13885	4.8
357.14551	9.2
359.15735	4.0
365.10928	3.4
369.14484	34.6
370.15384	7.5
371.16052	20.4
381.14108	4.7
399.15497	6.0
400.16339	7.0
401.16968	6.6
407.16043	5.2
411.15491	17.3
413.17007	15.5
414.18115	6.0
425.17191	9.6
429.16373	14.8
430.16919	6.3
432.19406	5.7
435.15384	16.1
439.18753	4.4
441.16568	6.4
443.18256	20.0
453.16559	45.3
454.17401	5.1
455.18002	10.0
460.18652	6.9
462.19815	5.8
465.16309	5.6
467.18417	5.7
471.17587	45.7
473.19095	11.0
474.20093	9.5
480.21301	8.1
481.15646	6.8
483.17383	7.6
485.18774	7.9
492.21179	18.4
497.19449	5.6
503.20074	9.4
506.22501	4.8
513.18561	20.1
515.20276	16.1
522.22284	10.9
531.19379	6.5
533.21393	4.5
534.22168	18.0
556.20630	6.0
572.24561	4.4
574.21582	12.6
586.21417	10.1
588.23706	25.4
592.23077	6.3
594.24432	46.9
600.23486	26.7
604.22601	13.5
606.24414	47.9
613.25726	4.9
618.24426	43.8
624.25507	87.9
627.27698	5.3
631.25037	7.3
632.25427	8.3
636.25403	100.0
642.26331	10.0
645.28931	5.0
650.26685	5.0
652.24762	3.8
654.26355	18.8
664.24536	10.6
687.30145	7.8
693.29181	8.3
703.27478	5.7
707.30798	24.7
711.29504	6.4
721.28491	22.8
725.31622	74.6
735.30212	8.4
739.29535	21.2
743.33118	26.3
753.31134	69.7
754.29205	4.7
757.30536	20.0
761.34088	9.5
771.32440	31.2
772.28870	4.5
775.31683	5.4
784.28241	7.1
789.33063	46.4
807.34912	4.2
816.31067	13.0
868.27704	4.3
916.83844	5.2
937.35559	5.5
972.72217	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	965.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.6
69.03436	0.2
69.07072	16.3
69.72640	0.3
69.73055	1.2
71.08278	0.3
71.08636	4.3
73.06520	0.2
75.04485	0.3
79.05492	1.7
81.07056	3.9
81.82734	0.2
83.04979	0.5
83.08621	17.0
85.10189	2.2
87.08056	0.2
91.05475	0.5
93.07050	2.4
95.08615	2.9
97.06542	2.0
97.10174	11.9
98.98472	7.2
98.99122	0.4
99.08152	0.2
99.08865	0.2
102.51170	0.2
105.07055	0.3
107.08606	1.9
109.10155	1.2
111.08062	0.9
111.11721	3.3
116.99480	0.4
119.08516	0.3
121.10159	2.7
123.11699	0.4
125.09646	1.0
125.13271	0.6
125.58463	0.2
133.10115	0.2
135.11693	2.0
135.95634	0.2
136.99971	0.4
137.13257	0.5
139.11194	0.4
139.14717	0.3
140.66425	0.2
143.07234	0.2
149.13255	0.9
153.12779	0.4
155.01056	3.9
163.14786	0.4
173.02104	1.4
202.52296	0.2
207.13597	0.2
219.21198	0.5
227.38931	0.2
229.04672	0.5
237.22119	0.8
247.05771	0.7
262.03610	0.2
311.25812	100.0
312.26248	1.9
313.31183	0.2
335.25873	0.3
353.72647	0.2
391.22440	0.5
433.95761	0.2
447.25079	7.2
447.31293	0.4
465.26276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	6.1
68.05015	1.0
68.29266	0.9
69.03417	4.1
71.04980	1.4
71.32555	1.4
74.16392	0.9
79.05486	5.3
80.04998	3.3
81.03419	8.1
81.05779	2.0
81.07037	2.9
82.06567	1.8
83.04951	1.3
85.02903	2.2
85.06519	1.3
91.05476	6.2
93.05782	2.5
93.07037	10.5
94.06010	1.6
94.06570	19.2
95.04977	4.9
95.07349	11.9
95.08599	2.2
96.04510	1.3
96.07549	1.4
96.08129	22.6
97.02875	2.5
97.06546	2.4
103.05457	2.2
105.05772	1.2
106.06565	2.4
107.07330	1.6
108.04460	9.6
108.08115	40.4
109.02874	4.7
109.06522	2.0
109.08898	1.3
110.09679	37.9
111.04469	1.3
118.06535	1.3
120.04465	1.1
120.08103	30.3
121.06530	1.3
121.08874	1.2
122.06029	19.4
122.09664	7.4
123.06808	2.1
124.07587	1.6
127.03893	3.9
128.06302	0.9
131.07257	0.9
132.04457	3.7
132.08084	1.6
134.06024	5.1
134.09596	1.6
136.07584	23.0
138.09138	54.5
141.09142	1.1
144.08052	2.1
144.36691	0.8
146.05988	4.0
146.09615	2.2
148.07571	15.8
150.05476	2.5
150.09111	9.2
152.07108	5.0
157.08844	1.1
158.09622	2.0
160.03954	17.5
160.07573	4.5
162.05490	3.2
162.09149	2.1
164.07050	3.7
166.08641	42.5
168.08102	1.2
170.09677	1.4
172.03903	3.6
172.07562	2.3
172.11211	1.2
174.05515	4.8
174.09114	3.7
176.07002	1.5
178.05023	2.1
178.08571	1.6
180.06593	1.5
180.10118	2.2
182.09669	1.6
184.07599	1.6
186.09138	3.2
187.09856	1.3
188.10678	1.5
190.05003	2.4
192.06604	2.9
192.10208	1.6
196.07620	1.4
197.10739	2.4
198.09183	1.9
199.08604	4.6
200.07054	1.4
200.10703	3.6
202.04985	1.6
202.08653	2.0
204.04767	1.0
204.06441	4.8
204.10120	1.0
206.08073	1.2
208.09798	1.8
209.10754	3.0
210.09343	1.1
210.11452	2.6
211.08577	7.3
211.12201	6.7
212.07214	1.5
212.09386	3.1
212.12981	2.5
213.06570	1.7
213.10234	10.5
213.13786	1.5
214.08557	2.1
216.10197	5.4
218.07930	1.1
218.11691	1.2
220.09692	1.3
221.10704	2.7
222.11475	3.1
223.08643	11.4
223.12155	4.9
224.09435	3.6
224.13080	2.8
225.10214	32.7
225.13596	4.8
226.08748	0.7
226.10951	18.5
227.08214	1.6
227.11769	17.2
228.10269	1.6
228.12335	0.9
229.13268	2.8
232.09627	3.8
234.11409	2.3
235.08568	6.2
235.12294	3.2
236.09344	6.2
237.10225	18.9
237.13759	5.3
238.10960	15.9
238.14496	1.2
239.08202	15.7
239.11783	61.7
240.08746	1.7
240.12564	15.7
241.09702	2.4
241.13351	5.5
243.11165	1.5
244.09746	5.6
246.11252	4.6
248.09311	2.6
249.10243	13.7
249.12831	1.4
249.13866	1.8
250.10977	20.1
251.08138	9.8
251.11790	54.4
252.06505	1.5
252.08795	5.8
252.12524	13.2
253.09717	24.3
253.13348	45.5
254.10454	17.4
254.13948	4.6
255.11203	4.1
255.14981	2.0
257.09290	1.2
257.12817	1.3
260.09290	2.3
261.10242	2.7
262.11026	3.1
263.08676	1.5
263.11777	33.8
264.08954	3.6
264.12506	9.5
265.09744	19.5
265.13327	52.1
266.10483	14.4
266.14011	8.4
267.11292	39.5
267.14767	5.4
268.11963	5.8
269.09360	1.3
269.12766	5.6
271.10724	6.8
271.14279	1.4
273.12341	1.4
274.11035	1.4
275.11801	4.0
276.12622	2.1
277.09778	7.3
277.13333	4.9
278.10321	9.0
279.11285	38.5
279.14374	1.3
280.12024	8.8
281.12848	65.1
282.10275	1.5
282.13614	3.5
283.10767	12.4
283.14374	3.6
284.11746	4.5
285.12335	25.6
286.13126	6.3
287.14215	1.2
290.10635	1.2
291.11282	11.1
292.12076	4.3
293.09247	2.7
293.12836	29.8
294.10324	1.6
294.13461	4.2
295.10776	6.4
295.14368	9.5
296.11600	5.8
297.12314	18.0
298.13092	5.7
299.10895	1.0
299.13895	26.4
300.14621	1.4
301.13071	1.1
303.11307	3.1
304.12192	1.0
305.09360	1.6
305.12820	3.1
306.10214	1.6
306.13467	1.0
307.10724	7.5
307.14169	2.0
308.11417	1.5
309.12344	50.4
310.12967	7.0
311.13870	37.8
312.14511	3.8
313.12207	1.5
313.15497	8.0
314.12872	1.7
315.14581	1.4
316.14490	1.5
319.10773	6.2
319.14142	1.9
320.11438	1.8
321.12360	13.7
321.15970	1.7
322.13022	1.1
323.10397	1.3
323.13907	5.4
323.17374	0.9
324.11084	1.5
324.14627	2.1
325.11768	4.4
325.15417	2.1
326.12729	2.5
327.13397	36.6
328.14316	3.9
330.12616	1.3
330.16144	1.4
332.13959	1.0
333.12247	1.6
334.12988	1.2
335.13925	1.9
337.11774	7.3
337.15314	1.8
338.12589	3.6
339.13376	15.0
340.14145	1.5
341.14963	66.7
342.15991	4.5
343.13211	1.2
343.16867	1.1
344.13876	3.3
344.17542	1.7
345.11942	1.8
351.13510	6.1
352.14307	2.0
353.10974	1.7
353.14981	18.6
354.15707	1.5
355.12866	2.4
355.16534	2.5
356.13892	2.8
357.14627	9.1
358.15631	4.4
359.16351	5.5
360.16891	2.4
365.15067	1.5
367.16705	1.5
368.17609	1.2
369.14462	33.6
370.15338	4.2
371.16068	21.4
372.17044	5.8
373.18042	1.1
374.19034	1.7
375.13229	1.5
377.14963	2.0
379.12671	1.9
381.14474	3.5
382.15363	1.5
383.16299	5.1
384.17029	2.2
386.18585	3.5
387.15787	2.0
388.16333	2.7
388.20633	1.1
391.16940	1.5
393.14413	2.7
394.15247	1.3
395.15936	2.9
396.16962	1.4
397.17947	1.4
398.18887	1.4
399.15717	4.2
400.16360	3.0
401.16797	4.0
402.18085	3.6
405.14328	2.9
406.15558	1.0
407.16092	5.4
408.17447	1.0
409.17960	2.0
411.15454	18.1
412.16080	3.1
413.17169	13.0
414.17996	7.4
415.18811	1.5
416.19876	4.8
417.14624	1.1
418.17288	3.9
419.16275	2.6
420.19016	4.1
421.13345	1.1
423.15436	3.7
425.17142	13.3
427.18491	1.4
429.16547	19.2
430.17572	5.8
431.18094	1.9
432.19119	5.3
433.14050	1.6
433.19620	1.5
434.20676	2.4
435.15659	14.5
436.16174	1.5
437.17346	7.5
438.18185	1.4
439.14459	1.3
440.15698	2.6
441.16483	7.0
442.17291	4.4
443.18152	19.5
444.18887	3.0
446.20761	2.6
447.15338	3.3
448.18347	2.9
451.14972	2.4
453.16516	41.2
454.17151	1.4
455.17953	8.0
456.18820	1.7
460.18307	5.9
462.20291	8.5
463.14877	2.8
464.15802	1.2
465.16513	8.3
467.18097	5.7
469.16061	2.4
470.16562	2.0
471.17642	36.6
472.18466	3.2
473.19409	7.0
474.20239	11.3
475.20465	1.2
479.17947	2.8
480.21341	6.0
481.15152	5.2
482.16458	2.0
483.17450	9.4
485.19193	9.4
488.21707	1.3
490.19849	2.1
492.21335	17.7
494.22656	1.2
495.17511	4.1
497.18964	9.2
498.20203	2.4
501.18500	2.1
502.19577	3.0
503.20200	7.5
504.20844	2.4
506.22751	6.9
507.23477	1.9
512.21643	2.0
513.18579	18.6
514.19226	2.8
515.20288	22.2
516.20471	2.1
522.22424	14.5
528.20972	3.4
530.22290	2.1
533.20264	1.0
534.22394	17.6
536.23743	1.2
540.20959	1.2
541.18799	1.1
541.59033	1.1
542.22717	2.4
544.24396	1.6
546.22363	1.3
554.22852	1.3
556.20636	7.7
558.22229	4.4
560.23468	1.4
562.21796	3.6
564.23199	2.7
568.20648	4.2
570.21851	1.9
572.23364	4.3
574.21600	10.6
576.23218	3.5
582.22961	3.0
585.24457	3.1
586.21655	13.7
588.23370	34.4
590.25323	1.9
592.22900	11.9
594.24457	49.4
595.25043	4.5
596.25568	1.3
600.23438	26.5
602.24597	2.1
603.25464	5.9
604.22638	11.9
606.24457	44.8
607.24475	1.4
608.25708	1.2
613.25885	1.7
614.25146	1.1
618.24481	48.8
621.26837	2.2
622.25720	1.1
624.25513	74.4
625.25995	1.7
627.28162	6.7
630.23956	1.3
631.25140	6.2
632.26105	10.8
636.25488	92.0
637.25366	2.0
643.26978	1.1
646.24084	2.0
649.26459	1.8
650.27167	4.4
654.26520	1.5
664.24835	9.7
666.26318	1.4
667.27271	2.8
668.28400	4.9
669.29266	1.6
675.27881	5.3
677.29639	2.7
687.30005	5.1
689.29041	2.4
691.30389	2.5
693.29199	15.2
695.30676	1.4
703.28064	5.2
707.30695	36.9
708.30365	1.3
711.29950	6.0
721.28668	34.3
725.31812	100.0
726.32013	3.3
729.31049	2.9
735.30023	13.5
739.29681	19.9
743.20276	1.5
743.32843	27.3
753.31268	90.1
754.31281	3.7
757.30829	13.7
761.33856	6.0
771.32318	29.6
780.31940	1.6
789.33557	17.0
790.32751	1.3
812.35724	5.8
915.39081	1.5
947.39862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	9.2
68.05029	1.5
69.03441	5.8
69.07023	1.2
69.24052	1.1
71.10237	2.9
71.83289	1.1
72.31295	1.1
79.05492	6.4
80.05032	2.7
81.03413	12.8
81.07072	2.4
82.06580	3.1
83.04990	2.4
85.02885	5.9
86.09671	1.6
91.05478	10.3
93.05798	3.8
93.07039	12.8
94.06563	23.4
95.04964	6.0
95.07343	14.4
95.08604	3.1
96.08126	24.4
97.02883	3.2
97.06529	4.1
99.04470	2.6
103.05477	3.6
104.04974	1.2
105.05783	1.6
105.07011	2.0
106.06542	3.6
107.07352	3.5
108.04461	9.7
108.08115	54.5
108.08868	2.7
109.02873	7.2
109.08963	1.9
109.10142	2.2
110.09676	51.9
115.05476	2.1
115.07596	1.1
118.06544	3.1
119.04945	1.6
120.04495	2.4
120.08103	40.7
121.02856	1.2
121.06470	1.8
122.06026	28.0
122.09675	9.7
123.04462	1.4
123.06833	2.6
124.07597	3.2
125.83031	1.3
127.03912	5.2
132.04489	3.4
132.08073	2.1
134.06017	7.7
134.09602	2.4
136.07567	36.1
137.05931	4.2
137.77556	1.2
138.09131	72.0
144.08060	2.2
145.02840	1.7
145.06477	1.2
145.08867	1.7
146.05998	4.2
146.09650	3.8
148.07553	22.9
150.05518	3.3
150.09148	12.6
152.07097	8.2
158.09607	2.8
160.03941	21.8
160.07579	4.5
162.05516	4.4
162.09050	1.9
163.03870	1.3
164.07031	7.8
166.08640	57.0
170.05817	1.2
171.06769	1.2
172.03970	3.7
172.07628	2.0
173.08426	2.1
174.05515	5.0
174.09169	3.6
176.07050	3.4
176.10645	1.5
177.05457	2.0
178.04993	5.4
178.08670	3.0
180.06612	1.8
180.10236	2.2
184.07494	3.0
186.09154	4.1
187.08620	1.6
188.06989	1.9
188.10767	3.9
190.04945	3.4
190.08553	1.9
192.06595	3.0
192.10197	3.2
192.60126	1.2
194.08092	2.6
195.09230	1.6
197.10747	3.2
198.09271	1.8
198.11459	1.9
199.05873	1.4
199.08665	4.2
200.07085	1.6
200.10814	2.4
201.10269	1.7
202.08606	3.1
202.36813	1.2
204.06502	6.2
204.10193	2.7
206.08066	1.9
207.06432	1.4
208.09702	2.5
209.10757	3.9
210.11424	3.1
211.08699	9.8
211.12256	9.8
212.07147	1.3
212.09428	4.4
212.12939	2.1
213.06601	2.3
213.10201	12.5
213.13687	1.3
214.08618	4.1
216.10179	6.3
218.05772	1.6
218.07928	1.4
218.11821	2.1
220.09752	2.4
221.10753	1.8
222.11461	3.9
223.08699	15.2
223.12163	6.8
224.09435	4.9
224.13034	3.1
225.10220	48.9
225.13602	7.7
226.10948	22.1
227.08243	2.0
227.11748	19.6
228.10388	2.4
229.13370	2.4
230.08148	1.5
230.11600	1.8
232.09775	4.3
233.08018	2.0
234.11295	2.3
235.08517	6.1
235.12381	4.0
236.09389	6.2
236.12971	2.8
237.10199	29.0
237.13779	7.0
238.10957	22.2
239.08142	22.4
239.11804	74.9
240.12520	17.9
241.09772	3.6
241.13339	8.6
243.11380	1.5
244.09740	7.0
246.11269	6.6
247.12373	1.7
248.09177	5.9
248.13052	2.6
249.07765	2.0
249.10191	18.7
249.12842	1.6
249.13895	2.2
250.10985	22.3
251.08211	14.5
251.11807	73.5
252.08769	7.9
252.12523	17.3
253.09738	32.8
253.13373	51.3
254.10495	22.4
254.14023	4.6
255.11313	7.3
255.14876	2.7
257.09247	2.3
257.12744	1.5
260.09198	3.8
261.07547	8.9
261.10135	2.4
262.10974	2.7
263.08820	1.5
263.11792	44.0
264.09015	5.7
264.12476	11.0
265.09772	25.2
265.13367	68.7
266.10522	18.2
266.14081	9.6
267.08353	2.2
267.11285	43.9
267.14835	8.4
268.12018	8.6
269.12839	6.4
271.10757	10.1
271.14447	2.5
275.11795	4.2
276.08768	1.3
276.12671	2.7
277.09756	9.5
277.13336	7.0
278.10370	12.4
279.08606	2.1
279.11273	42.9
280.09229	2.0
280.12048	8.6
281.09711	2.3
281.12827	69.1
282.10492	1.4
282.13513	5.3
283.10794	14.7
283.14398	5.0
284.11575	5.0
285.09680	1.0
285.12308	30.5
286.13159	7.9
287.14014	2.1
289.13181	2.8
291.11270	16.8
291.14548	2.2
292.12061	4.4
293.09253	3.4
293.12811	39.4
294.13464	3.9
295.10794	7.9
295.14417	10.7
296.11560	9.1
297.12311	22.6
297.15649	1.9
298.13086	11.2
299.13910	26.6
300.14948	1.5
303.11185	3.9
303.14572	1.9
305.09341	2.6
305.12927	4.3
307.10773	7.7
307.14148	2.6
309.12320	62.9
310.12976	8.5
311.10297	1.6
311.13864	44.9
312.14633	5.5
313.11902	4.6
313.15494	9.5
314.12772	2.4
316.14972	1.6
317.12836	2.1
319.10843	5.9
319.14133	2.0
320.11298	1.8
321.12305	18.0
322.13058	1.8
323.10471	2.2
323.13931	7.2
324.14621	2.1
325.11774	8.5
325.15460	3.7
326.12808	3.3
327.13400	48.5
328.14261	3.1
329.15164	3.8
330.15976	3.5
333.12299	1.6
335.14059	3.3
337.11774	10.1
337.15457	2.0
338.12619	6.1
339.13361	19.1
340.14267	3.7
341.14972	60.2
342.15662	3.9
343.13477	2.0
344.13947	4.2
344.17667	2.0
351.13367	8.7
352.14011	2.2
353.14972	21.2
354.15826	2.1
355.13113	3.7
355.16919	1.9
356.13916	4.5
357.14725	10.0
358.15479	6.7
359.16553	5.8
360.17059	2.3
364.14261	1.7
365.15143	2.2
367.12823	2.4
367.16858	2.3
369.14438	42.7
370.15509	6.2
371.16116	27.2
372.17203	7.3
374.14716	2.3
374.18811	2.0
379.12674	3.0
381.14490	5.8
382.15259	3.0
383.15973	5.1
384.16937	4.2
386.18579	4.0
387.15744	3.0
388.16321	2.5
389.14850	2.5
390.18118	1.9
393.14539	3.6
395.15976	2.0
396.17035	2.8
397.13519	1.7
399.15674	6.0
400.16156	6.1
401.17163	9.9
402.18045	3.6
403.12677	2.5
404.19843	2.5
407.15918	6.5
409.17752	3.0
410.19028	1.5
411.15433	20.8
412.16397	4.8
413.17090	17.1
414.18204	8.3
416.14874	1.7
416.19720	5.1
417.14719	1.5
418.17490	4.0
419.17282	2.3
420.19040	3.9
423.15509	4.8
424.16400	1.6
425.17169	14.4
426.18213	2.3
427.18857	1.5
428.15225	1.6
429.16550	24.6
430.17401	6.4
432.19107	8.2
434.20807	3.3
435.15659	14.4
437.17145	6.0
438.18311	1.9
439.14563	1.9
440.15839	3.1
441.16434	7.1
442.17670	6.3
443.18109	21.0
444.18927	3.0
446.20566	4.4
447.15320	4.1
448.18524	5.3
453.16473	41.2
454.17072	3.3
455.18246	14.7
456.19272	2.1
460.18506	9.7
462.20282	9.1
463.14911	3.8
465.16516	8.4
467.18069	8.4
468.19406	1.8
469.15833	2.5
471.17584	40.7
472.18066	2.1
473.19391	8.0
474.20233	15.1
475.21732	1.4
476.22128	1.5
479.18039	3.9
480.21417	8.3
481.15900	5.4
482.16379	1.6
483.17590	7.5
485.19281	10.2
490.19644	3.9
492.21313	28.0
494.22638	2.4
495.17715	4.5
497.19263	12.8
498.19943	2.9
501.18564	3.3
502.19754	4.1
503.20206	8.9
504.20944	2.8
506.23004	8.7
507.23947	2.2
513.18701	18.6
514.19458	3.6
515.20148	27.0
516.20917	3.3
522.22473	24.3
528.21338	3.8
530.22797	2.3
534.22400	31.7
540.21002	1.8
541.18536	1.8
542.23303	1.5
543.19391	2.7
550.21606	2.1
552.23419	3.0
554.22534	2.0
556.20129	8.6
558.22266	6.1
562.21613	7.8
564.23682	2.9
568.20648	4.3
570.21753	2.9
572.23663	3.7
574.21313	8.6
576.23376	4.7
582.24078	12.7
585.24414	3.3
586.21637	14.4
588.23419	40.3
589.23615	2.9
590.24799	3.3
592.22919	15.4
594.24438	61.0
595.24860	6.3
598.23083	1.8
600.23407	31.7
602.24335	1.9
603.25568	7.6
604.22699	12.9
606.24493	43.9
607.24768	2.2
613.26294	2.2
618.24426	46.1
619.24103	2.9
621.26715	2.8
622.23633	2.8
624.25458	76.1
625.25446	3.7
626.25549	2.3
627.28131	5.1
631.25031	8.9
632.25940	14.9
636.25476	96.9
637.25653	4.7
640.24860	2.3
649.25153	2.5
650.26849	5.1
664.24817	13.7
667.26691	2.8
668.28076	4.4
669.29077	2.9
675.27905	6.6
677.29272	2.9
687.29883	6.8
693.28973	19.8
695.28827	1.5
703.27808	8.1
707.30792	50.6
711.29883	5.5
717.63153	1.5
721.28644	40.2
725.31744	100.0
726.32703	6.0
729.30688	3.0
735.30231	14.1
739.29749	15.6
740.30029	2.0
743.32904	30.6
744.31946	1.9
747.32349	2.4
753.31268	80.0
754.31152	4.7
757.30707	9.2
761.32971	2.5
771.32220	25.9
789.33398	14.2
959.37781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.2
69.34118	1.6
69.34552	2.9
71.07372	5.2
71.08626	1.9
76.56544	0.4
81.07045	0.9
83.08606	0.9
84.70329	0.4
85.10182	1.0
86.09705	49.6
90.32880	0.4
95.08605	2.0
97.10170	0.5
98.20741	0.9
98.98457	2.4
104.10741	97.4
105.11076	0.7
109.10179	0.5
114.01796	0.4
125.00000	26.9
127.65433	0.4
143.01045	0.6
163.01517	1.0
166.12477	0.4
184.07338	100.0
185.07768	0.6
197.57927	0.4
268.32892	0.5
313.27441	2.4
478.32932	7.6
496.33981	89.2
497.34494	1.9
666.49518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	21.2
69.07085	5.0
71.27856	2.5
71.28196	3.9
79.05502	14.2
81.07063	29.0
83.08626	2.8
85.02895	7.8
91.03957	7.4
91.05464	9.0
93.07045	19.3
95.08601	21.9
97.02885	5.5
97.10139	3.7
105.07036	8.9
107.08625	10.6
109.10181	12.1
117.07011	4.2
119.08580	10.7
121.10115	9.9
123.11716	4.0
131.08571	7.7
133.10133	6.9
135.11699	8.0
145.05025	4.9
145.10144	4.6
147.11710	6.5
159.11638	4.2
161.13252	5.4
163.06039	8.5
163.14850	3.1
173.13321	4.6
175.14923	3.9
187.15016	1.9
193.66733	2.2
241.19594	4.0
243.21204	5.0
259.20618	6.6
261.22159	18.2
263.23798	2.3
308.57211	2.6
317.24661	2.2
333.24130	10.6
335.25815	100.0
337.27377	14.2
455.87845	2.0
489.36053	2.4
499.92575	2.7
521.43524	3.6
539.85168	2.4
595.47150	21.7
613.48083	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	947.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	10.8
67.05840	2.4
69.03422	6.9
70.26704	2.8
71.59294	6.1
72.94088	2.5
75.39873	3.0
79.05506	7.8
80.04968	5.5
81.03408	13.6
81.07042	7.2
82.06599	3.6
83.04982	3.3
85.02901	10.8
85.06559	2.5
91.05489	10.7
93.07042	16.5
94.06552	21.1
95.04965	6.3
95.07351	12.0
95.08588	4.8
96.08141	24.3
97.02898	10.8
97.06496	5.9
105.07049	4.0
106.06564	4.4
107.04946	4.1
108.04462	9.0
108.08118	45.4
109.02869	7.5
109.10197	2.5
110.09676	38.1
119.04961	2.9
120.08105	34.3
122.06056	24.9
122.09638	4.7
127.03912	6.1
134.06041	6.2
136.07579	25.5
137.05989	8.4
138.09140	59.4
145.02858	5.3
146.05960	5.6
147.04387	4.0
148.07553	18.4
150.09184	8.6
152.07118	8.2
158.09602	2.8
159.11636	3.6
160.03935	17.8
162.05498	3.1
163.03940	2.8
164.07103	5.8
166.07219	4.2
166.08640	62.7
167.07043	3.0
172.03973	3.2
174.05536	3.8
174.09100	4.1
177.05432	9.4
184.07401	2.8
190.56398	2.7
192.06560	4.5
198.09201	5.1
199.08617	5.8
202.08638	3.1
204.06566	6.2
211.08687	7.6
211.12387	4.2
212.12991	3.0
213.10239	9.9
223.08650	7.7
223.12256	6.6
225.10234	39.1
225.13802	5.1
226.11006	15.8
227.11678	14.5
235.08731	5.0
235.12228	4.1
236.09494	4.0
237.10179	22.2
237.13896	5.0
238.10948	18.1
239.08144	16.7
239.11790	51.8
240.12589	13.9
241.09732	2.8
241.13351	8.4
244.09718	5.6
246.11188	4.0
249.10193	15.9
250.11026	18.5
251.08174	6.9
251.11807	50.1
252.08792	6.4
252.12503	9.5
253.09744	25.7
253.13394	54.4
254.10483	18.7
254.14156	4.6
263.11838	34.1
264.12601	8.1
265.09753	25.8
265.13370	59.5
266.10544	14.9
266.14056	10.7
267.11295	39.1
267.14484	6.6
268.12091	8.2
269.12875	7.3
269.71005	3.2
271.10837	7.6
277.09665	4.2
277.13336	6.3
278.10480	11.7
279.11319	32.9
280.12119	6.3
281.12845	62.8
281.15842	5.5
282.13495	5.1
283.10825	10.7
284.11426	4.7
285.12335	28.9
286.13153	8.5
291.11212	12.5
292.12091	5.5
293.12854	31.8
294.13525	4.2
295.10910	5.8
295.14456	10.4
296.11615	5.6
297.12311	17.9
298.13171	9.6
299.13974	25.7
305.09689	4.0
305.13095	3.7
307.10736	5.6
309.12338	60.3
310.13086	6.7
311.13953	33.9
312.14667	5.7
313.11948	4.6
313.15417	8.4
319.10754	5.0
320.11047	4.9
321.12347	13.3
323.14120	3.9
325.12006	6.2
325.15573	3.3
327.13370	38.3
337.11862	6.5
338.12607	4.5
339.13425	13.2
341.15033	59.3
351.13467	7.7
353.15091	12.0
357.14465	4.9
358.15390	5.9
359.16052	7.6
359.66248	3.1
369.14420	35.1
371.16055	18.2
372.16888	6.4
381.14545	3.1
383.16180	5.6
400.16580	3.7
401.17114	7.8
407.16241	4.4
409.17981	4.0
411.15628	18.3
413.16800	13.1
414.17978	6.2
420.19379	3.2
425.17218	13.8
429.16504	12.5
430.17288	6.6
432.19040	8.2
434.20184	3.8
435.15598	13.8
437.17194	3.9
439.14764	3.8
441.16504	6.2
442.17496	5.9
443.18216	19.0
448.18906	4.2
453.16562	44.7
454.16696	3.1
455.18094	12.6
456.58786	3.1
460.18802	6.2
463.15118	3.6
465.16617	8.2
467.17944	9.3
471.17636	39.8
472.17957	3.8
473.19131	4.8
474.20032	9.8
479.18353	3.9
480.21094	6.5
481.15948	6.1
482.15961	3.3
483.17816	10.9
485.18881	9.0
492.21213	16.1
497.19006	8.4
503.20197	8.3
506.22888	5.4
513.18542	16.1
515.20258	22.5
522.22571	17.1
528.21313	3.8
534.22125	16.4
554.23187	3.4
556.20538	8.0
558.22211	5.5
562.21893	5.1
568.20691	3.6
574.21356	6.4
586.21875	14.4
588.23523	25.5
592.22778	12.8
594.24554	58.7
595.25171	3.9
600.23370	31.6
604.22723	10.7
606.24335	57.3
607.24951	4.3
618.24463	52.3
619.24536	4.5
621.26978	3.1
624.25482	98.7
625.26410	5.9
627.27710	7.5
632.25647	10.6
636.25537	100.0
637.25818	6.9
650.26709	5.0
664.24500	10.4
667.27765	4.7
668.27856	4.5
671.27911	5.1
673.29163	5.2
675.27454	4.0
687.30261	6.3
693.28571	10.5
703.27435	4.1
707.30988	34.5
711.29364	5.7
721.29193	34.4
725.31909	89.1
726.32056	5.3
735.30243	12.3
739.29926	16.8
743.32861	30.1
753.31342	88.6
754.31219	10.2
757.30835	15.9
761.33557	6.9
762.32251	4.5
771.32306	31.3
789.33643	25.7
794.35077	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	943.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	10.2
69.03426	4.8
69.38299	21.1
71.04979	2.1
79.05489	5.5
80.05007	3.7
81.03422	15.8
81.07052	4.3
85.02893	5.6
91.05470	19.6
93.07036	15.1
94.06561	20.9
95.04957	7.4
95.07364	15.6
95.08615	3.2
96.08134	27.2
97.02892	4.2
97.06509	3.4
98.20721	4.9
98.42242	2.1
99.04445	2.7
103.05458	4.1
105.04518	2.6
108.04473	11.0
108.08119	44.3
109.02882	6.0
109.06499	3.0
110.09687	56.9
119.04961	9.5
120.04434	4.4
120.08115	35.7
122.06035	23.6
122.09662	5.3
123.04472	3.8
123.06937	2.6
127.03922	6.4
134.06000	7.0
136.07590	31.9
136.30861	2.5
137.05957	24.6
137.85982	2.3
138.08128	5.0
138.09137	72.7
144.08083	3.2
146.06033	3.9
146.09647	2.9
147.04413	5.4
148.07570	22.9
150.05460	2.4
150.09129	8.1
152.07085	9.4
160.03960	20.5
160.07555	5.4
160.11346	2.1
163.03889	2.8
164.07072	8.4
166.08647	56.4
172.03885	4.9
172.07576	2.4
173.13229	2.3
174.05524	5.1
174.09026	2.5
176.07018	3.8
177.05443	5.9
178.04999	4.9
178.08667	2.9
186.09164	4.6
190.04993	3.6
192.06500	3.5
198.09213	3.6
199.08694	3.2
202.08565	4.7
204.06477	5.5
204.10243	3.5
208.09668	3.2
210.09024	2.9
210.11501	4.0
211.08638	10.9
211.12315	11.1
212.09380	4.8
213.10138	12.0
214.08557	2.9
216.10146	4.2
223.08649	10.7
223.12213	11.3
224.09373	5.3
224.13014	3.7
225.10210	40.8
225.13739	5.6
226.10986	23.1
227.11719	20.2
229.13354	3.2
232.09705	4.4
235.08632	7.1
235.12248	3.2
236.09407	7.8
237.10234	25.1
237.13887	8.7
238.10994	20.0
239.08197	20.0
239.11792	80.5
240.12511	21.8
241.09624	3.1
241.13260	9.9
244.09630	9.4
246.11308	5.5
248.09389	3.9
249.10242	15.7
250.10930	19.2
251.08109	10.0
251.11801	71.4
252.08853	3.7
252.12497	14.1
253.09677	29.0
253.13345	57.2
254.10486	22.7
254.13922	7.2
255.07661	2.7
255.11172	5.5
255.14929	3.0
263.11795	32.7
264.08881	5.0
264.12442	13.6
265.09717	28.3
265.13333	63.3
265.79327	2.4
266.10477	19.4
266.14008	7.1
267.11255	44.7
267.14771	7.5
268.11890	8.1
269.12836	5.9
271.10791	9.9
275.11542	3.2
276.12604	3.2
277.09778	8.6
277.13269	7.2
278.10455	11.5
279.11282	43.7
280.11911	9.4
281.12833	71.2
282.13348	7.0
283.10800	14.7
283.14160	4.8
284.11646	5.7
285.12314	36.7
286.13126	7.2
289.12970	2.5
291.11288	15.1
292.11877	5.1
293.09525	3.8
293.12857	33.7
294.10275	2.8
294.13553	7.5
295.10608	7.4
295.14368	13.4
296.11472	5.5
297.12415	17.6
298.13144	9.8
299.13861	33.5
301.48413	2.6
305.12878	3.9
307.10791	8.7
308.11334	4.1
309.12354	67.7
310.12866	8.6
311.13928	42.8
312.14285	5.1
313.15594	12.6
314.13000	3.1
319.10745	6.0
319.14273	3.2
321.12280	14.7
323.13882	6.5
325.11737	6.6
325.15381	4.3
327.13428	50.2
328.14288	4.1
335.13629	3.6
337.11752	7.2
338.12402	3.4
338.69022	2.8
339.13376	14.2
341.15002	62.0
342.15567	4.7
344.13965	3.0
351.13303	8.8
353.14987	15.8
356.13809	3.3
357.14542	9.8
358.15308	6.7
359.16092	5.4
360.17047	3.8
367.12500	3.2
369.14478	33.5
370.15262	4.8
371.16058	19.9
372.17041	5.2
381.14111	3.3
383.15936	3.8
399.15594	3.6
400.16721	4.1
401.16974	7.5
407.15918	7.0
411.15524	22.7
412.15973	3.5
413.17105	14.3
414.18097	7.5
416.19455	5.0
417.14786	3.0
418.17551	4.8
419.16046	2.9
420.18939	4.6
423.15356	3.2
425.17111	17.3
429.16547	21.3
430.17438	4.0
432.19138	6.5
435.15573	18.3
437.16943	8.0
441.16479	5.5
442.17261	6.5
443.18274	18.7
444.18964	4.0
447.15250	4.1
453.16553	64.7
454.16943	7.7
455.18356	11.1
460.18857	11.3
462.20285	9.0
463.14822	3.0
465.16699	10.0
466.17276	3.8
467.18079	6.8
471.17642	40.5
472.18146	7.5
473.19131	8.5
474.20285	14.3
475.21008	2.6
479.18027	3.5
480.20898	5.4
481.15884	3.8
482.16937	2.8
483.17416	9.2
485.19009	12.9
490.19629	3.8
492.21295	16.7
495.17514	3.5
497.19168	9.3
498.20053	4.2
501.18588	4.2
503.20068	7.6
506.22580	6.8
513.18329	11.9
514.18799	3.8
515.20270	22.1
522.22473	21.6
528.21271	4.1
530.22546	2.7
534.22266	21.2
540.20923	3.9
556.20850	8.5
558.21942	6.9
568.20135	4.5
572.23907	4.5
574.21869	18.8
582.23718	6.9
586.21802	22.1
588.23352	42.4
592.23120	15.0
594.24542	50.1
595.24994	5.9
600.23438	36.1
603.25452	6.6
604.22931	10.8
606.24451	74.2
607.24585	5.6
618.24554	61.9
619.25037	6.3
624.25513	100.0
625.25415	11.7
627.28223	5.6
631.24976	7.4
632.26038	11.8
636.25464	94.2
636.81311	3.2
637.25824	5.3
649.26331	5.8
650.26788	6.3
664.24554	10.4
667.25989	5.8
668.27728	8.8
669.26611	5.0
675.27924	6.3
687.29901	6.9
693.29248	16.8
703.27441	5.8
704.26324	3.0
707.30646	45.3
708.31232	5.3
711.29871	7.2
721.28729	42.8
722.28339	5.5
725.31830	97.2
726.32111	12.5
735.30029	14.5
739.29578	18.3
743.32800	27.7
744.32483	4.1
753.31323	89.9
754.31311	13.0
757.30786	12.7
758.30170	5.0
761.33905	6.4
771.32428	29.6
772.31738	4.7
789.33386	18.3
790.31592	16.4
822.33240	3.6
925.36804	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	941.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31593	1.2
67.05504	6.0
69.03436	6.2
69.03747	1.2
71.24556	1.1
73.02952	1.2
75.61832	1.1
79.05482	4.3
80.05009	3.7
81.03419	7.8
81.05796	1.6
82.06583	3.0
85.02904	3.2
88.69713	1.1
91.05470	5.4
93.05779	1.8
93.07058	11.4
94.06569	18.6
95.04971	4.5
95.07360	11.7
95.08633	2.5
96.08130	23.5
97.02885	4.1
97.06503	2.1
98.20783	3.0
103.05492	2.2
106.06553	2.6
107.04948	1.2
107.07331	1.9
108.04477	5.5
108.08121	41.5
109.02876	4.8
109.08916	1.2
110.09679	34.9
118.06513	1.5
120.08109	34.7
122.06039	21.4
122.09653	7.2
123.06865	1.7
124.07610	4.0
127.03912	4.0
128.06200	1.2
131.07367	1.3
132.04462	2.9
132.08109	2.0
134.06032	5.7
135.79990	1.1
136.07587	28.0
137.06003	1.5
138.09137	57.4
144.04402	1.4
144.08081	2.6
146.05997	3.8
146.09746	1.1
148.07585	18.1
150.09158	9.0
152.07095	5.4
155.22191	1.1
157.08838	1.2
158.09546	1.7
160.03944	18.2
160.07567	2.8
162.05498	2.5
162.09196	2.0
164.07059	6.4
166.08641	48.4
172.03960	4.2
172.07674	2.1
172.11224	1.2
174.05632	3.0
174.09152	3.4
176.10696	1.3
177.05421	1.5
178.05023	3.1
184.07489	2.0
186.09189	2.2
188.10747	1.5
190.05023	3.2
190.08708	1.5
192.06555	2.8
192.10141	1.5
195.09058	1.4
196.07584	1.4
197.10614	2.2
198.09215	1.8
199.05988	1.7
199.08707	2.9
199.12375	1.1
200.10757	2.8
202.08638	1.4
204.06526	5.4
204.10275	1.8
206.08154	1.2
208.09738	1.7
209.10742	2.1
210.11427	2.2
211.08658	7.2
211.12271	3.9
212.09315	2.8
212.13045	1.4
213.06639	2.1
213.10208	8.1
214.08589	2.3
216.10184	5.1
218.11855	1.8
220.09914	1.8
221.10756	2.0
222.11531	2.3
223.08659	8.7
223.12190	5.6
224.09271	2.0
225.10233	32.5
225.13667	5.9
226.08768	1.6
226.10939	14.7
227.08203	1.7
227.11769	13.0
228.10176	2.5
229.13272	1.9
229.33662	1.3
232.09712	2.6
233.08527	1.3
234.11470	1.5
234.77716	1.0
235.08646	5.5
235.12373	2.8
236.09378	4.6
236.13074	1.8
237.10242	22.8
237.13797	6.3
238.10912	16.0
239.08159	14.9
239.11774	51.7
240.12488	14.2
241.09785	3.0
241.13271	7.6
244.09723	3.1
246.11331	5.6
247.08704	1.6
247.12315	2.1
248.09467	4.0
248.13170	1.5
249.10234	11.0
249.13878	1.3
250.10992	16.6
251.08202	6.2
251.11797	58.6
252.06743	1.5
252.09036	4.8
252.12560	11.2
253.09741	23.8
253.13374	42.5
253.16010	2.0
254.10516	15.1
254.13831	5.6
255.11171	3.4
257.09229	1.7
260.09125	1.4
261.10199	1.5
262.11014	2.2
263.08929	1.8
263.11807	33.2
264.09244	2.4
264.12500	7.5
265.09778	19.0
265.13361	52.6
266.10529	14.5
266.13980	7.3
267.08380	2.4
267.11304	42.3
267.14758	4.7
268.09500	1.6
268.11942	5.7
269.12848	4.2
271.10764	7.4
271.14175	1.9
275.11804	3.1
276.10019	1.4
277.09698	6.9
277.13303	4.0
278.10529	9.4
279.11304	39.1
279.14398	2.5
280.12082	8.8
281.12872	57.7
282.13544	2.7
283.10806	12.1
283.14337	4.5
284.11539	2.7
285.12344	27.4
286.13184	6.5
289.09836	2.0
289.13263	2.5
291.11340	12.9
291.14505	1.9
292.12125	4.8
293.09534	1.7
293.12823	31.8
294.13467	4.3
295.10773	6.5
295.14386	9.5
296.11649	3.9
297.12332	16.7
298.13214	7.2
299.13898	25.9
301.15817	1.3
305.09265	2.0
305.12616	1.3
307.10818	6.2
308.11514	1.7
309.12347	47.7
310.12967	7.6
311.13904	36.6
312.14511	4.3
313.15582	6.9
317.16245	1.6
319.10757	5.8
319.14230	2.2
320.11447	1.7
321.12311	17.1
323.13898	4.6
325.11771	5.3
325.15417	2.9
326.12683	2.1
327.13443	31.6
328.14340	1.8
330.16086	3.1
333.12177	1.3
333.15860	1.5
335.13736	1.8
336.14587	1.2
337.11713	6.4
338.12619	2.4
339.13477	13.5
340.14307	2.2
341.14978	72.7
342.15826	1.9
344.13696	3.8
344.17538	2.1
345.12167	1.7
347.13812	1.6
351.13461	7.4
352.14185	1.4
353.15036	14.8
354.15775	1.8
355.16571	3.6
356.13797	2.1
357.14728	6.4
358.15350	4.5
359.16205	8.4
360.16974	1.5
365.15350	1.8
368.13724	1.5
369.14450	24.1
370.15155	3.5
371.11783	1.7
371.16083	20.8
372.17075	3.2
381.14435	4.0
382.15030	1.4
383.16269	5.1
384.16971	2.7
386.18716	1.9
387.15408	1.5
388.16437	1.9
393.14209	1.7
395.15964	4.4
396.16910	1.7
397.13901	2.2
399.15622	3.5
400.16440	3.2
401.17413	5.7
402.17963	3.1
403.13004	4.0
405.14276	1.6
407.16107	4.2
409.17780	1.8
411.15582	15.4
412.16415	3.8
413.16956	12.4
414.18311	6.6
416.19623	4.4
418.17563	1.7
419.17264	1.6
420.19125	2.7
423.15488	2.5
425.17175	8.7
429.16467	14.8
430.17535	3.1
431.18253	2.7
432.19321	6.2
433.19913	2.2
434.20566	3.1
435.15625	9.4
437.17166	6.1
439.14850	1.5
440.15527	2.1
441.16824	7.1
442.17383	3.9
443.18222	16.2
444.18896	2.5
446.20627	2.9
447.15237	1.8
448.18274	2.5
453.16595	28.0
454.17416	1.5
455.18298	11.9
456.19345	1.7
459.18240	1.2
460.18704	4.2
461.18375	1.4
462.20306	7.4
463.14828	2.7
465.16547	7.1
467.17975	3.5
469.16138	2.7
470.16376	1.4
471.17664	42.6
472.18091	1.4
473.19519	7.0
474.20316	12.1
475.20853	1.2
479.18124	2.1
480.21454	7.2
481.15698	5.5
483.17572	7.1
485.19281	7.6
486.20316	1.4
488.21640	1.5
490.18900	2.2
492.21298	20.0
495.17624	4.6
497.19278	8.0
498.19974	3.7
500.23029	1.3
501.18274	2.7
502.19440	2.2
503.20364	10.3
504.21222	1.8
505.21765	1.5
506.22827	7.1
513.18646	19.1
514.18945	3.2
515.20300	26.1
516.21021	2.7
522.22467	7.5
528.21460	1.6
533.21033	1.6
534.22327	13.2
540.21130	2.3
541.18304	1.3
556.21075	4.2
558.22253	4.4
562.22156	3.2
564.23395	3.1
568.20374	3.3
570.22028	1.9
572.23236	2.0
574.21796	3.8
576.22968	3.0
582.23547	1.8
586.21515	7.1
588.23370	22.3
590.24512	1.9
592.22705	4.7
594.24457	53.3
595.25024	4.8
600.23450	19.4
603.25793	2.6
604.22888	7.4
606.24487	24.8
614.26038	1.9
618.24432	42.4
622.24811	1.6
624.25519	64.5
625.26251	2.1
626.26593	2.5
627.28210	7.7
631.25354	2.6
632.25769	8.3
636.25525	100.0
637.25543	3.3
645.28180	1.8
649.25946	1.7
650.26587	2.4
654.26086	2.4
664.24799	14.2
665.25201	3.1
666.25690	2.0
667.27539	3.1
668.27295	3.6
669.29156	1.7
675.27472	2.1
677.29028	1.4
687.29852	3.0
693.28955	6.0
703.27222	3.8
707.30731	40.4
708.30286	1.6
711.29724	3.1
721.28662	19.1
725.31763	83.0
726.30969	4.4
729.30701	1.5
735.30389	13.5
739.29120	8.2
743.32825	25.6
744.30292	2.6
753.31250	57.6
754.30634	2.5
756.29407	3.4
757.31097	7.6
761.33820	11.9
762.33197	1.2
769.30505	1.4
770.31714	1.2
771.32300	25.5
788.32709	9.2
789.33282	25.0
798.30493	7.5
891.36017	1.4
923.38800	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74838	0.6
67.05505	2.6
69.03434	1.9
69.07068	0.7
71.04987	1.2
71.51266	1.1
73.02909	0.7
79.05495	3.0
80.05014	0.9
81.03391	3.1
81.07040	1.6
83.04958	0.8
85.02924	2.1
91.05485	4.3
93.05750	0.6
93.07040	3.5
94.06577	4.6
95.04973	1.7
95.07346	2.2
95.08620	1.1
96.04505	1.2
96.08139	4.8
97.02905	2.1
97.06537	1.0
99.04465	0.8
105.07046	1.1
107.04946	1.7
107.08605	0.6
108.04463	1.2
108.08131	8.7
109.02892	2.0
109.10162	1.4
110.09678	7.8
111.04430	0.7
116.81520	0.6
119.04977	1.7
119.08624	0.7
120.08111	6.7
122.06034	6.0
122.09715	0.9
123.04526	0.8
127.03948	1.8
132.08069	0.9
135.04523	0.9
136.07582	6.0
137.05969	4.6
138.09142	12.1
144.89456	0.6
146.06053	1.6
147.06790	0.8
148.07605	3.8
150.09233	1.5
152.07060	3.1
160.03970	2.6
163.03963	0.8
164.07127	1.8
166.08646	8.6
172.03976	1.2
172.07597	0.7
176.07092	0.9
176.10780	1.2
177.05510	2.0
177.08005	0.7
178.05006	0.8
199.08638	1.2
204.06525	1.0
204.10271	1.1
207.12067	0.7
210.09148	0.8
211.08708	1.6
211.12257	1.1
212.09436	1.0
213.10207	0.7
223.08765	1.8
223.12358	0.8
225.10210	6.1
225.13853	0.8
226.08896	0.7
226.11099	2.6
227.11816	2.8
228.10252	0.7
235.08676	1.4
235.12355	1.2
236.09328	1.4
237.10248	6.1
237.13968	1.4
238.10817	3.7
239.08153	1.9
239.11789	10.2
240.12625	2.6
241.09598	0.7
241.13353	1.4
248.09563	1.9
249.10229	4.5
250.10936	4.8
251.08209	1.7
251.11789	14.4
252.08917	0.8
252.12349	3.2
253.09660	3.6
253.13358	7.4
254.10674	2.5
254.14293	1.0
255.11362	1.9
256.09680	0.7
261.10318	1.0
263.08868	1.2
263.11798	14.0
264.09131	1.1
264.12640	2.9
265.09802	6.5
265.13437	13.1
266.10611	2.3
266.14185	2.1
267.11365	8.0
267.14963	2.1
268.12112	1.1
269.12949	0.9
271.10907	1.6
275.11957	0.9
277.09827	3.1
277.13403	1.7
278.10416	3.6
279.11282	10.6
280.12140	2.3
281.12827	10.1
282.13510	0.8
283.10886	2.8
283.14359	0.9
284.11655	1.0
285.12354	4.1
286.13019	0.9
291.11261	6.0
292.12012	2.8
293.12842	8.9
294.10352	0.7
294.13776	0.9
295.10925	2.9
295.14514	3.1
296.11551	0.8
297.12338	4.1
298.13345	1.2
299.14001	4.2
307.10785	2.2
308.11682	0.8
309.12369	10.5
310.13193	2.4
311.13931	9.5
313.12204	0.8
313.15701	1.4
319.10797	3.9
321.12332	5.0
323.13901	2.8
325.12112	1.9
327.13513	4.8
337.12045	2.8
338.12787	0.9
339.13318	3.2
341.14972	9.5
342.16431	0.9
351.13406	3.1
352.14270	1.2
353.14920	4.7
355.16708	1.6
356.13898	1.1
357.14664	1.3
359.16141	0.7
364.56781	0.7
365.14917	0.9
369.14453	6.2
370.15497	1.6
371.16586	4.0
372.17194	0.8
379.12790	1.0
381.14529	1.1
384.17035	0.8
386.19012	0.8
393.14539	0.9
398.23105	1.0
399.15948	0.8
400.16611	1.1
407.15979	0.9
411.15604	2.4
412.16821	1.6
413.17194	1.8
414.18387	1.4
423.16055	1.0
425.17139	2.0
429.16669	2.6
430.17776	1.9
432.19507	1.1
435.15659	3.0
437.17468	1.3
440.15640	1.4
441.16644	2.1
442.17697	1.3
443.17838	2.9
453.16653	7.1
454.17471	0.9
455.18222	2.0
463.15088	1.8
465.16714	2.1
469.16306	0.9
471.17639	4.4
472.18112	1.1
473.19104	0.9
474.20389	1.7
477.16327	0.9
481.16110	3.7
482.17151	1.7
483.17651	3.1
485.18701	1.2
492.21292	1.6
493.22128	0.9
495.17590	1.4
497.19305	2.1
501.18826	0.8
503.20425	1.6
506.22986	0.8
513.18707	8.0
514.19751	0.9
515.20386	5.7
534.22406	1.0
558.22046	1.1
574.21918	1.3
576.23633	0.8
582.24164	1.0
586.22113	0.8
588.23370	1.8
594.23767	3.3
600.23621	2.7
604.22876	1.1
606.24469	2.2
616.23199	1.2
618.24573	3.3
624.25421	5.0
627.28571	0.8
634.23279	0.9
635.22894	0.9
636.25427	8.4
644.26379	0.8
644.36987	1.0
645.27582	0.7
645.38086	1.1
665.23151	0.9
667.25128	2.7
686.26740	0.9
707.30573	2.2
721.28937	1.7
725.31799	5.6
726.26733	0.7
728.28278	1.1
735.30066	1.0
738.26880	1.1
739.29559	1.4
740.27435	3.1
743.32745	2.5
744.27734	1.6
746.28979	1.0
749.27423	0.9
752.28186	4.3
753.31036	3.7
756.27686	5.1
757.29980	0.9
758.28967	1.8
767.28955	1.3
770.29193	3.3
771.31934	1.9
776.30280	3.8
787.30939	1.3
788.30182	100.0
789.31793	3.7
851.46301	1.8
859.34912	1.1
873.34497	1.0
877.36615	2.1
878.45142	0.8
879.45331	0.9
887.36676	0.7
891.34100	1.5
895.37769	1.1
905.34503	1.3
909.36487	0.9
922.47375	1.0
923.35278	5.7
940.48529	1.0
941.47729	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	941.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	7.9
69.03423	6.5
69.07056	2.0
71.11346	4.0
79.05486	4.6
80.05014	4.9
81.03412	10.6
81.07048	4.3
83.04972	2.4
85.02898	7.6
91.05471	7.3
93.05778	2.0
93.07043	11.7
94.06583	13.6
95.04948	4.4
95.07339	7.8
96.08135	18.5
97.02882	6.0
97.06516	2.2
103.05492	2.8
106.06557	2.1
107.08543	2.0
108.04477	8.4
108.08115	32.7
109.02873	6.3
110.09672	40.0
119.08549	3.1
120.08114	28.3
121.06487	2.2
122.06015	18.9
122.09647	5.3
123.06883	1.7
124.07566	2.3
127.03887	3.9
132.04456	2.2
133.10094	1.9
134.05992	5.3
136.07579	18.5
137.05974	6.2
138.08124	3.8
138.09138	62.1
139.09489	4.5
144.08107	1.8
146.05997	3.9
146.09610	2.1
147.04388	1.8
148.07594	17.3
150.09148	7.9
151.03938	2.1
152.07074	4.9
158.09634	2.0
160.03958	16.9
160.07561	2.3
161.05927	1.8
162.05469	2.2
164.07092	3.9
166.08638	43.0
167.07027	2.5
167.09021	2.7
172.03967	2.0
174.09154	4.7
176.07042	2.4
177.05431	5.7
178.04976	3.0
186.09158	1.7
196.09637	2.0
199.08632	2.2
200.10796	2.3
204.06523	5.1
209.10603	2.4
211.08612	4.7
211.12318	6.6
212.09306	2.8
213.06570	2.4
213.10196	7.2
214.08684	2.7
216.10179	3.0
222.08089	1.8
223.08636	5.6
223.12244	3.6
225.10226	24.4
225.13741	4.1
226.11017	12.5
227.08249	2.7
227.11774	17.0
228.12106	2.2
232.09760	2.4
235.08768	3.1
235.12180	1.7
236.09306	5.3
236.12785	2.3
237.10213	13.7
237.13902	2.2
238.10855	12.1
239.08195	15.4
239.11803	45.8
240.12477	14.0
241.09808	4.7
241.13243	6.5
244.09628	2.2
246.11249	3.5
248.09537	2.8
249.10217	10.7
250.10988	13.7
251.08183	6.5
251.11803	41.1
252.09126	4.3
252.12375	13.1
253.09709	17.1
253.13354	32.6
254.10452	16.2
254.13779	7.4
255.11275	3.2
255.14769	1.9
257.09174	2.2
261.10101	1.8
263.11792	22.9
264.09192	1.7
264.12491	7.9
265.09717	17.8
265.13330	35.9
266.10526	11.7
266.13708	10.1
267.11313	34.6
267.14603	5.8
268.11911	3.8
269.12750	5.4
271.10684	5.7
275.07123	2.0
275.11859	2.9
277.09637	5.8
277.13101	2.3
278.10449	7.8
279.11249	27.4
280.11783	6.9
281.12857	51.6
282.13266	8.1
283.10788	12.4
283.14267	5.1
284.11362	3.5
285.12302	25.1
286.13138	6.6
287.13547	1.7
291.11215	7.3
292.11841	6.8
293.09387	2.1
293.12759	22.9
294.13303	5.2
295.10684	4.5
295.14252	5.2
296.11441	3.8
297.12366	12.6
298.13126	7.1
299.13919	22.0
300.14383	2.6
305.12842	2.8
307.10852	5.7
309.12335	47.8
310.12833	9.2
311.10590	3.4
311.13895	30.0
312.14230	6.3
313.11920	4.3
313.15475	5.7
319.10629	3.6
320.11176	2.2
321.12393	11.4
322.12653	2.1
323.13705	3.8
325.11856	7.2
326.12238	2.5
327.13385	37.3
328.13931	3.3
335.13672	2.3
337.11932	8.4
338.12482	3.3
339.13507	10.6
341.14932	37.6
342.15280	6.6
351.13397	5.3
352.14005	2.1
353.14886	7.7
354.15628	3.2
355.16119	1.9
356.14072	1.9
357.14536	5.6
358.15250	3.9
359.15988	5.7
369.14453	18.1
370.14984	5.2
371.16138	15.5
372.16818	5.2
381.14505	2.9
384.17203	2.5
388.16397	2.7
395.15912	3.0
399.15125	2.0
400.16397	3.0
407.15622	2.2
408.16583	1.9
411.15469	12.2
412.16071	3.1
413.16968	6.9
414.17841	4.7
416.19940	3.1
420.18979	2.9
423.15500	3.0
425.16910	7.6
426.17581	3.2
429.16458	15.0
431.17700	2.7
432.19241	5.0
434.20825	2.0
435.15631	10.5
437.16919	5.3
438.17105	2.8
439.18909	2.6
441.16379	5.9
442.17349	3.2
443.18079	14.9
444.18692	3.7
448.18286	3.6
453.16479	24.3
454.16614	4.3
455.18137	9.4
456.18683	3.8
460.18530	4.2
462.19763	4.4
463.14755	2.9
465.16330	7.5
467.18338	3.0
469.16165	2.7
470.16385	2.7
471.17639	43.0
472.17987	6.0
473.18613	4.8
474.20163	6.3
480.21283	4.8
481.15826	4.3
482.16458	2.2
483.17456	6.9
485.19144	7.7
490.19305	2.8
492.21323	14.4
494.22461	2.6
495.16794	2.9
497.18997	4.5
499.17023	2.3
502.19608	3.4
503.20181	7.7
506.22949	3.3
513.18854	16.9
514.19183	3.0
515.20148	25.8
516.20453	4.8
522.22278	6.7
534.22614	8.7
535.22662	2.6
536.23175	2.5
556.20044	2.3
562.21869	2.2
568.20697	2.1
572.24231	2.5
574.21704	6.4
576.23584	2.4
582.22711	2.7
586.22015	6.3
588.23651	20.2
589.23328	4.4
592.22919	14.7
594.24487	19.7
595.24622	7.0
596.25238	3.2
600.23303	14.1
603.25214	3.4
604.22614	14.7
605.23468	3.3
606.24518	30.6
607.24084	5.2
608.24823	4.0
613.26178	5.0
614.26318	2.8
618.24518	26.7
619.24548	6.1
620.25171	5.6
624.25555	98.0
625.26111	10.3
626.26642	8.6
627.27820	3.1
631.25159	2.1
632.25525	5.2
636.25488	100.0
637.25702	12.4
638.26447	9.4
645.28949	2.4
654.26068	3.4
664.24847	4.8
665.25470	2.3
666.25732	3.4
667.26605	5.1
667.74017	2.5
668.27472	5.0
687.29993	3.8
693.29193	6.1
703.27649	4.0
707.30927	16.3
708.29480	3.3
709.31635	3.9
711.30432	3.5
721.28882	20.3
722.28949	3.5
723.28961	3.1
725.31824	43.5
726.30280	6.3
727.31763	7.6
735.29810	7.4
739.29834	12.3
740.29407	2.6
743.32452	14.9
744.29639	8.5
753.17676	3.3
753.31122	56.2
754.31317	6.4
755.31561	9.7
756.29034	7.0
757.31403	10.6
761.33533	2.8
770.31146	3.1
771.32477	22.7
772.31494	2.5
788.30664	22.2
789.32959	21.0
790.33704	3.2
791.32996	4.4
850.90289	2.2
879.46576	2.4
891.35980	3.9
941.48212	4.4
941.66486	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	939.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02937	1.3
65.03954	1.9
67.05516	8.8
69.03418	4.7
70.88409	1.3
71.04983	2.0
71.59127	2.0
73.02905	1.7
78.33223	1.2
79.05502	7.0
80.05006	3.9
80.70339	1.2
81.03422	11.0
81.05790	2.8
81.07051	2.0
82.06572	3.3
83.04972	2.6
85.02905	7.5
87.58453	1.3
91.05470	8.5
93.05771	2.8
93.07038	13.7
94.06563	24.5
95.04958	5.5
95.07360	16.7
95.08602	3.1
96.08133	27.0
97.02888	7.1
97.06534	3.6
99.04455	1.3
103.05445	3.3
105.05746	1.5
105.07018	2.8
106.06538	3.5
107.04921	2.2
107.07359	1.9
107.08590	1.8
108.04482	8.8
108.08114	48.1
108.08868	2.7
109.02886	5.8
109.08932	1.5
110.09676	50.4
110.92250	1.3
118.06491	2.6
119.04951	2.0
120.04442	1.9
120.08102	39.4
121.06512	3.2
122.06025	22.6
122.09666	8.3
123.06795	2.7
124.07558	2.5
124.42245	1.3
127.03910	5.2
132.04463	2.8
132.08118	2.8
133.10156	1.6
134.05995	7.3
136.07576	27.8
137.06015	1.4
138.09132	73.9
139.03867	2.0
144.04527	1.6
144.08073	1.6
145.02832	2.6
145.05162	1.5
146.05977	4.4
146.09695	1.9
148.07574	19.1
150.05542	1.9
150.09146	11.8
151.03915	2.8
152.07092	6.5
158.09714	1.9
160.03947	20.4
160.07545	3.3
160.11143	1.3
162.05550	4.0
163.03835	1.4
164.07047	7.6
166.08633	56.1
170.09641	1.4
172.03943	5.8
172.07527	2.9
174.05501	3.4
174.09157	3.2
176.07076	2.5
177.05458	4.7
178.05003	4.0
178.08612	3.1
184.07393	2.6
186.09163	3.7
188.07074	1.7
188.10753	1.9
190.05013	5.2
192.06561	4.8
192.10187	2.9
194.08154	1.5
196.07764	1.8
196.09779	1.8
197.10742	3.4
198.09193	2.2
198.11530	2.3
199.08653	5.5
199.12280	2.2
200.10674	1.7
202.04944	2.0
202.08617	3.3
204.06575	8.7
204.10210	3.2
206.08125	2.3
208.09746	2.6
209.10754	3.0
211.08601	9.7
211.12265	9.4
212.07410	1.6
212.09441	4.0
213.06569	2.5
213.10269	10.2
214.08586	3.8
216.10185	5.3
220.09877	1.5
221.10718	3.2
222.11334	2.3
223.08696	9.3
223.12224	6.9
224.09395	3.3
224.13040	3.4
225.10217	42.4
225.13806	5.1
226.08849	1.8
226.10947	19.0
227.08203	2.9
227.11763	22.3
228.10252	1.7
229.13287	2.1
230.08005	1.9
232.09772	2.2
234.11429	2.0
235.08551	6.4
235.12271	3.0
236.09433	5.4
236.12988	2.2
237.10211	22.9
237.13866	6.2
238.07301	2.0
238.10925	18.2
239.08214	19.2
239.11769	73.8
240.12508	15.2
241.09776	2.4
241.13341	9.1
243.11124	2.0
244.09714	6.0
246.11307	5.0
248.09485	4.7
249.10226	14.4
249.13878	1.9
250.10960	19.2
251.08170	12.1
251.11789	66.0
252.06580	1.7
252.08981	5.7
252.12509	12.1
253.09724	27.4
253.13368	58.3
254.10504	21.0
254.14055	5.4
255.11272	4.2
256.11938	1.9
257.09286	2.2
260.09317	2.3
262.10834	3.1
263.08228	3.0
263.11789	37.9
264.08951	2.8
264.12534	9.0
265.09760	23.6
265.13348	61.3
266.10516	15.1
266.14014	7.7
267.11301	48.5
267.14847	6.3
268.12000	7.9
269.12848	5.8
271.10727	7.8
274.10938	1.9
275.11850	2.4
276.12463	2.4
277.09781	10.4
277.13361	5.2
278.10355	12.1
279.11276	43.0
280.11969	10.0
281.12842	74.8
282.10303	2.1
282.13434	6.1
283.10773	14.7
283.14362	4.5
284.11380	6.5
285.12323	34.1
286.13086	8.9
289.13284	1.7
291.11301	13.5
292.11984	5.8
293.09546	2.4
293.12823	34.0
294.10385	1.9
294.13501	5.5
295.10812	8.1
295.14398	13.9
296.11661	5.4
297.12344	20.1
298.13071	8.8
299.13895	34.5
300.14645	2.7
303.11206	3.8
305.09439	1.9
305.12781	2.8
307.10779	8.6
307.14151	2.3
309.12329	55.6
310.12943	8.0
311.13861	38.3
312.14572	5.6
313.15479	10.5
316.14529	1.6
317.12698	2.6
319.10959	7.3
319.14307	2.4
320.11526	1.9
321.12299	14.5
322.12991	2.2
323.10287	2.8
323.13803	5.7
325.11789	8.2
325.15536	4.8
326.12802	2.3
327.13376	42.6
328.14160	1.9
329.15610	2.0
330.15933	2.8
333.12161	2.1
334.13202	1.6
335.10333	2.1
337.11807	6.3
338.12598	5.6
339.13354	16.4
340.14185	3.5
341.14969	68.6
342.15805	2.8
344.13962	3.0
344.17819	3.4
349.11880	1.9
351.13220	8.0
353.11121	1.8
353.14981	15.6
355.12704	2.2
355.16754	3.0
356.13983	1.8
357.14618	10.7
358.15244	5.7
359.16370	8.0
360.17004	2.8
367.12579	1.9
369.14493	31.5
370.15427	3.6
371.16013	20.9
372.16989	5.2
374.19012	2.1
375.13556	1.7
377.15009	1.9
381.14514	5.4
383.15991	5.2
385.17932	1.9
386.14621	1.7
386.18884	2.3
388.16519	2.5
391.16528	2.7
393.14145	2.8
395.15854	5.1
398.14685	2.3
399.15668	4.8
400.16470	4.0
401.16882	4.1
402.18118	3.8
405.14111	1.7
407.16025	7.0
409.17874	2.8
411.15356	21.4
412.16354	3.7
413.17093	13.7
414.18109	6.8
416.20081	2.8
417.14331	2.2
418.17447	2.2
419.17047	2.1
420.19254	2.1
423.15436	5.0
425.17062	19.3
426.17545	1.9
429.16486	17.7
430.17514	4.7
431.18213	4.3
432.19012	8.3
433.13968	1.9
433.19354	2.2
434.20584	2.5
435.15576	14.2
436.16583	1.9
437.16693	7.3
440.15924	2.4
441.16418	8.3
442.17514	5.6
443.18158	15.7
444.18777	2.6
447.15552	2.5
448.18475	4.3
451.14767	3.3
453.16568	52.0
453.22836	2.5
454.17014	5.6
455.18497	11.2
458.17538	1.7
459.17123	2.3
460.18457	5.7
462.20187	6.4
463.15027	3.2
465.16776	10.0
467.18130	6.1
471.17590	36.4
472.18213	2.6
473.19568	6.5
474.20361	10.5
479.18155	3.3
480.21198	1.9
481.15683	6.5
483.17542	10.9
484.18390	2.6
485.19040	12.3
486.19272	2.1
490.19830	2.2
492.21417	16.3
494.23300	1.9
495.17514	3.4
496.18317	1.7
497.19156	11.7
498.19940	2.9
501.18466	2.8
502.19336	2.7
503.19928	7.5
506.22565	6.4
513.18610	16.3
514.19025	3.1
515.20355	24.6
522.22522	13.3
528.21088	2.9
533.20380	2.5
534.22375	18.4
540.20502	1.8
542.21991	2.0
546.22406	1.9
556.20636	7.3
558.22028	4.1
562.21783	4.8
564.22888	2.1
568.20532	3.8
570.21948	2.0
572.23639	4.5
574.21783	12.5
576.23145	3.3
582.23218	2.2
583.24402	1.9
586.21680	16.0
588.23450	34.0
589.23236	1.8
590.25000	1.6
592.22913	12.8
594.24457	39.0
595.25360	4.9
600.23413	29.7
603.25049	4.3
604.22437	12.0
606.24438	72.1
607.25031	3.4
612.25452	2.1
613.26056	2.8
617.23035	1.8
618.24524	60.0
619.24255	3.8
624.25476	90.4
625.25275	5.4
627.27771	4.1
631.24658	5.6
632.26068	13.7
635.24445	1.7
636.25452	100.0
637.25348	4.3
643.27142	2.1
645.29358	2.4
649.26520	4.8
650.26978	3.3
652.24384	2.4
654.26849	6.5
663.23816	3.6
664.24982	13.7
665.24677	6.4
666.26343	1.9
668.28009	3.8
675.27747	4.7
687.29779	4.9
693.29291	11.6
695.30609	1.6
703.27173	4.9
707.30713	33.7
708.31293	2.8
711.30774	7.3
721.28717	32.1
723.28564	1.9
725.31793	91.6
726.31940	7.5
735.29987	12.4
736.27155	3.4
739.29608	19.9
742.27258	4.5
743.32886	27.6
750.28851	1.9
753.31287	90.1
754.29224	8.6
755.28839	4.4
756.29718	1.7
757.30896	14.1
761.33057	5.4
768.28796	3.0
771.32452	27.7
774.31494	2.0
786.31006	17.9
787.30359	2.6
789.33362	21.6
796.28601	3.2
817.31830	4.0
818.32184	1.8
821.34332	2.2
823.14441	1.7
839.34399	1.8
857.35480	3.1
880.78284	1.5
889.34009	2.9
907.35345	7.0
921.36200	3.8
939.40704	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	938.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.3
65.91764	1.1
67.05508	100.0
69.03425	5.8
69.06725	2.0
69.07072	20.9
69.42646	7.9
69.43056	3.1
71.01305	1.1
71.04978	5.2
73.02909	3.3
77.03927	1.8
79.05499	57.3
79.05967	2.9
81.03421	9.1
81.07061	68.9
83.04977	6.6
83.08223	1.4
83.08630	19.6
85.02911	25.9
85.06538	3.5
86.09699	1.3
87.04483	6.2
91.03963	6.6
91.05482	31.9
92.17594	1.2
93.07052	52.9
93.92992	1.3
95.04973	8.5
95.08614	55.1
96.09004	1.5
97.02896	7.4
97.06515	6.4
97.10172	32.2
99.08078	2.5
103.03915	1.9
105.04485	1.6
105.07030	20.5
107.04942	4.2
107.08598	38.5
109.02843	1.1
109.06511	3.2
109.10163	60.8
111.08086	5.9
111.11710	1.3
115.05421	1.7
117.07028	9.7
119.08579	20.1
119.09364	1.9
121.06509	2.0
121.09323	2.1
121.10147	29.1
123.08098	4.1
123.11710	6.3
125.09642	23.2
127.03932	2.6
129.06992	4.2
131.08569	17.4
133.10143	16.0
135.08051	2.7
135.11693	17.7
136.50644	1.2
137.09596	3.2
137.13228	1.5
138.68140	1.2
139.11185	3.9
143.08542	2.3
143.10666	3.9
143.73557	1.2
145.10136	14.1
147.11702	10.3
149.09630	3.4
149.13237	7.7
151.11182	1.5
153.12743	2.2
155.08571	2.1
155.10652	1.9
157.10114	4.9
159.11693	8.9
161.09561	1.8
161.13301	6.1
163.06055	3.0
163.11169	8.7
163.14819	3.3
165.12706	1.7
167.27707	1.3
169.10063	2.1
171.11629	4.2
173.11731	17.0
173.13260	7.8
175.11195	2.0
175.14830	2.1
177.12733	1.2
177.16393	2.3
181.12167	1.7
183.13852	1.7
184.07338	2.6
185.11682	1.9
185.13277	2.3
187.14798	5.1
189.11226	3.4
191.10725	2.3
193.12270	5.3
199.13287	9.9
199.14844	2.0
201.16435	1.2
203.12709	2.1
205.15979	1.2
209.11749	3.2
211.13324	3.5
217.14272	3.1
219.17418	1.4
220.04298	1.3
225.16565	1.2
227.12801	11.4
229.14357	51.6
235.16949	1.3
241.14352	2.9
241.19533	2.0
243.21060	5.1
245.13795	7.0
253.19556	1.2
257.13773	1.7
259.20514	5.5
261.22189	18.8
267.15921	11.5
271.20670	1.5
277.21683	4.7
283.15399	3.4
285.22177	1.8
289.21396	2.0
297.22168	1.5
299.23724	2.7
301.16452	26.8
309.22253	1.7
315.23206	3.0
317.24695	3.8
319.17456	2.1
327.23172	3.5
331.22629	1.3
333.24139	4.1
335.25827	88.0
336.26114	2.2
345.24103	1.6
351.25519	2.7
363.25284	4.2
371.25604	1.8
389.26923	1.9
407.27469	1.6
433.31003	1.6
451.32169	3.8
459.34607	1.5
469.32968	3.3
477.35742	15.0
487.33994	2.0
489.35748	21.7
525.36115	2.6
543.36914	11.7
561.29779	1.8
561.37939	23.2
571.49316	1.3
579.38855	12.5
723.42633	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	938.532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	3.6
65.58348	1.2
67.05507	100.0
69.03425	5.4
69.07075	22.1
69.38110	1.3
71.01344	2.5
71.04988	4.5
71.58384	1.9
73.02918	4.6
77.03911	1.9
79.05495	52.8
81.03410	7.7
81.07057	68.1
83.04977	8.2
83.08626	13.6
85.02909	27.1
85.06549	2.4
86.09705	2.8
87.04466	3.4
89.01875	1.4
91.03954	7.3
91.05480	36.5
93.07049	50.5
95.04965	8.8
95.08610	55.2
97.02914	9.1
97.06539	4.4
97.10180	19.4
103.03988	2.0
105.07032	20.4
107.04954	2.8
107.08595	35.3
109.06499	3.9
109.10159	56.2
111.08100	5.6
117.07013	7.5
119.08586	19.2
121.06522	3.0
121.10143	28.0
123.08081	4.9
123.11695	6.9
125.09651	18.4
127.03917	4.2
129.07054	2.2
131.08574	16.4
133.10107	12.1
135.08015	1.9
135.11700	18.0
137.09610	4.0
139.11177	4.0
143.08633	2.8
143.10692	1.9
145.04976	4.6
145.10081	11.6
147.08038	1.8
147.11711	10.5
149.02266	2.7
149.09636	2.0
149.13239	8.5
151.11201	2.0
153.99043	1.7
155.10699	3.4
157.10167	2.1
159.08075	1.7
159.11705	8.1
161.13278	5.5
163.06052	2.6
163.11217	5.9
163.14822	4.6
169.10092	1.5
171.11736	2.5
173.11736	10.5
173.13274	7.6
175.14738	1.7
181.12233	2.3
183.11679	1.5
184.07394	5.0
187.14888	2.6
189.11256	2.3
193.12234	2.8
197.13313	2.0
199.13255	8.1
199.14880	2.0
201.16475	1.6
209.11674	3.0
211.13179	2.9
227.12756	8.9
229.14352	56.7
229.16560	2.9
243.21123	6.9
244.05603	1.6
245.13852	5.4
259.20651	3.9
261.22156	21.5
267.15860	7.4
277.21634	2.5
283.15405	3.2
299.14877	4.1
300.15225	3.6
301.16425	21.9
315.23132	2.3
317.24826	3.2
327.23038	2.2
333.24066	3.5
335.25821	96.0
336.26248	2.4
345.23920	1.8
363.25391	4.4
459.34308	2.2
477.35742	10.0
489.35886	30.6
507.36551	1.9
517.34918	1.6
525.35675	3.3
527.37921	1.8
543.36774	12.3
560.37036	2.1
561.37695	22.5
579.38837	4.8
723.42737	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	936.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.8
67.05507	54.3
69.07061	15.5
69.31590	21.4
71.04993	4.3
71.08644	3.5
79.05492	39.8
81.03417	89.3
81.07062	62.1
83.04983	6.5
83.08626	22.5
85.02904	6.6
86.34428	2.6
91.03951	7.6
91.05479	36.2
93.07043	42.2
95.04980	29.7
95.08601	53.4
95.09162	4.6
97.02918	4.1
97.06541	5.5
97.10181	8.3
98.20797	5.3
105.07037	26.5
107.04965	8.0
107.08585	23.4
109.06513	7.5
109.10142	22.5
111.08092	8.9
115.05434	3.5
117.07005	8.1
119.08574	26.0
121.06477	3.0
121.10152	23.0
123.04416	2.8
123.08079	3.6
123.11716	10.0
125.09637	4.7
129.06981	12.1
131.08557	19.9
133.06487	2.5
133.10123	17.8
135.08041	2.8
135.11728	14.6
143.08507	4.2
145.10101	7.2
147.08037	3.8
147.11699	15.0
149.09631	8.1
149.13248	7.9
155.08565	2.7
157.10172	7.6
159.11699	6.3
161.13330	4.6
163.05977	4.3
163.11198	2.2
163.14888	3.0
173.13191	6.2
175.11211	9.0
175.14822	3.3
175.38309	2.5
185.13264	3.1
187.14774	3.9
189.11230	3.8
193.12253	18.8
201.16444	2.7
205.12234	2.9
211.13197	3.4
227.12811	7.9
243.21120	4.3
261.22089	20.1
267.15921	100.0
282.28107	5.8
301.25369	6.4
309.16992	3.0
313.27383	46.9
317.24664	5.6
335.25812	93.0
393.24075	3.6
421.25714	4.8
435.27414	3.9
435.32645	6.5
436.28296	21.9
449.28952	2.9
453.33362	5.6
454.29227	19.7
471.35049	4.9
509.36438	2.5
527.37329	72.6
534.19519	3.1
545.38348	99.0
550.29449	3.3
569.37909	6.8
611.18994	2.6
611.39789	4.1
623.39844	3.5
653.40527	3.8
671.41412	3.1
816.60419	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	938.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.4
67.05506	82.5
69.03432	6.3
69.07072	16.1
71.01334	2.1
71.04986	6.0
73.02921	4.5
79.05495	46.5
81.03426	9.5
81.07059	63.8
83.04985	8.4
83.08617	20.2
85.02911	21.5
85.06542	3.7
87.04475	5.2
91.03995	8.8
91.05479	27.3
93.07044	52.8
94.07405	2.1
95.04975	11.0
95.08050	3.4
95.08616	46.2
97.02882	12.5
97.06544	7.5
97.10168	20.3
97.29424	1.7
98.20685	2.7
103.03925	2.5
105.07032	19.5
105.61429	1.9
107.04970	4.7
107.08588	35.7
109.06496	4.2
109.10146	46.6
109.10825	3.1
110.74771	1.9
111.08028	4.3
117.07020	7.5
119.08580	19.9
121.06495	2.3
121.10144	28.8
123.08082	3.9
123.11734	6.1
125.09624	17.5
127.03938	3.7
129.07057	3.3
131.08582	15.9
133.10167	12.5
135.08113	2.2
135.11699	18.1
137.09636	3.8
137.13206	1.9
139.11150	3.5
143.08560	1.9
143.10689	3.6
145.04951	4.8
145.10143	12.0
147.08015	2.3
147.11688	8.6
149.02362	6.0
149.09595	4.0
149.13252	9.8
153.12717	2.3
157.10170	5.2
159.11703	8.4
161.13316	4.7
163.06073	4.2
163.11183	8.1
163.14813	4.7
167.10730	1.7
173.11763	11.6
173.13284	7.2
175.14917	4.2
177.16315	2.0
181.12325	2.1
184.07410	6.5
185.13234	1.9
187.14848	5.1
188.68152	1.9
189.11295	3.4
191.10712	4.4
193.12289	2.8
199.13304	11.6
209.11716	5.6
227.12799	10.9
229.14363	40.6
229.77444	3.4
243.21088	5.1
245.13870	5.2
259.20627	2.8
261.22174	17.0
267.15945	7.3
277.21667	2.2
283.15402	5.4
299.14951	6.2
299.23859	2.1
300.15381	4.5
301.16467	30.8
317.24628	3.7
333.24377	3.2
335.25803	100.0
336.26105	5.4
337.26617	2.1
351.25214	3.0
363.25510	2.9
469.33148	3.5
477.35666	8.5
489.35760	21.3
525.35883	5.3
543.36798	18.5
561.37805	38.1
579.38739	9.7
723.42249	2.6
731.65375	1.9
938.44299	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	933.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	10.0
69.03429	7.2
69.07072	5.6
69.46240	1.0
69.46652	2.8
71.01359	0.9
71.04993	1.3
73.02919	7.4
79.05495	8.1
81.03428	3.8
81.06584	0.8
81.07060	12.0
83.01324	0.5
83.04984	1.5
83.08625	2.9
85.02908	19.3
85.03434	0.9
85.06549	0.7
87.04435	0.5
91.03960	10.9
91.05483	7.6
93.07042	8.3
95.04975	1.8
95.08608	9.5
95.09166	0.7
97.02895	16.7
97.06535	1.1
97.10159	1.9
99.04449	1.9
101.02386	2.6
103.05484	0.4
105.07033	8.4
107.04974	0.8
107.08592	5.8
109.02885	1.3
109.06516	0.9
109.10168	4.1
111.08100	0.8
115.03909	1.1
115.05544	0.4
117.07013	4.6
119.08585	7.3
121.06559	0.5
121.10149	4.3
123.08109	0.5
123.11729	1.1
125.09637	0.7
127.03920	4.0
128.06233	1.8
129.07007	6.0
130.07736	0.5
131.08572	7.5
133.10123	4.6
135.08046	1.0
135.11731	2.5
137.13298	0.6
141.06984	3.2
142.07809	1.2
143.08568	6.9
144.09331	0.5
145.04955	2.7
145.10107	6.1
147.11710	3.0
149.13249	1.1
153.07024	1.5
154.07732	0.7
155.08527	5.3
156.09367	0.6
157.10136	6.5
159.11676	5.2
161.13280	1.6
163.06090	1.3
163.11441	0.4
163.14803	0.6
165.07025	1.1
166.07817	0.7
167.08591	3.0
168.09364	0.8
169.10127	6.4
171.08005	0.8
171.11702	6.3
173.13234	2.9
175.11256	0.4
175.14877	1.3
179.08629	1.7
180.09387	0.4
181.10107	4.3
182.10866	0.8
183.11711	7.8
183.13246	0.7
184.12378	0.6
185.11766	0.7
185.13248	5.2
187.14897	1.8
189.16359	0.5
193.10123	2.1
194.10791	0.4
195.11691	4.8
197.13251	4.8
199.13185	0.6
199.14801	3.5
201.16429	1.3
205.10083	0.6
207.11732	2.3
209.13280	4.3
210.05710	0.4
211.14825	4.5
213.16386	2.4
217.10062	0.4
219.11778	0.8
221.13298	2.6
223.14790	3.4
225.16394	2.9
227.18034	1.9
233.13226	1.1
235.11153	0.4
235.14850	1.8
237.16457	2.1
238.96349	0.4
239.18045	2.0
241.19742	0.6
245.13344	0.5
247.14821	0.4
249.16530	0.9
251.18019	1.7
253.19601	1.0
261.16339	0.7
263.18146	0.9
265.19742	0.9
267.21295	0.6
273.16278	0.6
275.17953	0.6
277.19608	0.8
279.21155	0.5
285.18787	0.5
293.22672	0.5
295.20663	0.5
297.22052	0.5
305.22888	0.6
307.20551	0.6
309.22095	1.0
321.22333	0.6
323.23886	1.1
325.21750	0.4
339.26968	0.7
349.25400	0.8
351.26553	0.8
363.26740	0.7
377.28601	0.5
391.30069	0.7
423.32632	0.5
432.87808	0.5
435.32529	0.4
487.33975	0.7
499.34052	0.6
515.37573	0.7
517.40460	4.1
523.37573	0.5
525.35449	0.7
527.37354	0.8
535.41711	2.1
539.37604	1.1
541.39264	0.7
553.42682	0.7
567.41449	0.5
573.42908	0.6
591.44147	4.4
607.43683	2.5
609.45135	100.0
610.45630	3.0
619.44043	0.6
621.44952	1.5
633.45178	1.4
645.44861	0.6
651.46228	2.0
675.45673	1.1
693.47876	0.5
699.46106	1.8
717.46960	1.9
735.47955	3.1
753.49335	3.8
771.50397	32.1
772.50085	0.7
915.54309	0.5
933.55627	10.1
934.56885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	12.6
69.03423	9.6
69.45521	28.8
79.05486	12.5
80.05021	5.0
81.03413	14.5
81.07052	8.8
85.02891	10.5
91.05462	15.4
93.07030	14.7
94.06572	24.2
95.04950	11.3
95.07349	16.6
96.08143	34.3
97.02912	9.7
97.06539	5.6
99.04399	3.3
101.43231	3.3
105.06990	5.7
106.06502	5.3
108.04478	9.5
108.08122	46.7
109.02869	12.2
109.10155	4.6
110.09691	58.4
113.02258	3.3
117.03389	3.7
117.07003	4.2
119.04913	3.6
120.04520	4.7
120.08102	44.6
121.06511	3.6
122.06020	26.3
122.09685	7.5
124.07578	5.5
127.03898	5.2
134.05995	9.4
136.07594	27.0
137.05966	12.2
138.09146	65.1
145.02881	4.1
145.09995	4.0
146.05980	6.7
148.07556	15.7
150.09166	9.3
151.03929	4.2
152.07114	7.8
160.03949	18.4
164.07039	9.9
166.08632	73.1
171.89705	3.6
172.07608	3.6
174.05464	5.6
177.05490	11.1
178.04985	5.3
178.08717	4.8
184.66216	3.4
186.09038	4.4
188.07111	3.8
190.04988	4.9
192.06564	4.5
199.08646	4.2
204.06609	8.7
208.09732	4.1
211.08681	8.2
211.12318	10.4
213.06709	4.4
213.10234	9.0
216.10223	6.2
221.10918	7.6
223.08650	7.1
225.10220	52.2
225.13704	8.7
226.11006	17.8
227.11784	23.2
232.09688	4.6
235.08574	8.9
236.09375	9.9
237.10278	30.7
237.13779	6.9
238.10988	16.5
239.08246	18.4
239.11775	62.0
240.12538	19.5
241.09650	4.5
241.13348	10.1
244.09689	8.8
246.11307	4.8
249.10390	21.3
250.11005	18.4
251.08163	12.8
251.11827	73.3
252.08830	4.9
252.12514	17.7
253.09776	32.3
253.13377	49.0
254.10463	21.7
254.13873	6.3
255.11128	5.8
262.11020	8.0
263.11771	43.4
264.12500	12.2
265.09723	35.2
265.13333	56.2
266.10486	16.0
266.13980	8.9
267.11331	52.2
267.14288	6.1
268.11963	8.7
269.12723	9.0
271.10574	8.7
274.11078	3.6
275.06903	5.8
277.09741	8.1
277.13284	4.2
278.10532	14.4
278.13937	4.1
279.11264	43.0
280.11963	12.6
281.12863	76.7
282.13480	4.4
283.10754	14.9
283.14163	5.7
284.11572	5.6
285.12286	42.2
286.12903	10.7
291.11404	17.6
291.14447	4.8
292.11691	4.4
293.12796	41.0
294.13419	6.2
295.10986	5.8
295.14319	8.7
296.11469	7.5
297.12256	24.8
298.13086	12.3
299.13782	31.9
305.09189	3.9
307.10733	6.7
309.12387	63.5
310.12872	7.9
311.13950	46.4
312.14316	6.0
313.15326	11.9
314.13049	4.1
319.10855	7.4
321.12341	21.2
322.12540	5.1
323.13956	6.0
325.11816	8.4
326.12494	5.4
327.13425	44.2
337.11661	7.1
339.13550	19.7
341.14966	66.9
342.15598	4.5
344.13766	4.9
351.13550	3.8
353.14978	18.9
357.14832	12.2
358.14847	4.8
360.17236	5.0
367.12582	5.2
368.17462	4.8
369.14459	30.7
371.16086	18.8
372.17194	4.8
383.16165	6.8
386.18491	4.0
395.16281	4.4
400.16309	4.2
401.17780	4.3
402.18161	6.8
407.15787	6.8
411.15231	18.9
412.16122	5.4
413.17108	11.5
414.18240	6.5
416.19504	5.5
418.17548	4.5
421.17755	5.2
425.17172	21.6
429.16632	17.7
430.17551	8.1
432.19272	6.8
434.20633	5.9
435.15286	13.6
437.17010	10.0
443.18262	18.6
444.18958	4.6
446.20438	4.2
453.10666	4.3
453.16656	61.5
454.16660	5.3
455.18143	13.9
458.16748	4.9
460.18512	9.4
462.20081	5.6
465.16440	12.1
467.18164	8.7
471.17801	35.0
474.20090	10.5
480.20935	10.5
481.16354	5.7
483.17398	10.2
485.18832	10.8
492.21207	22.8
497.18872	9.2
498.20093	4.6
500.22562	5.0
503.20255	10.4
506.22913	4.7
513.18597	17.8
514.19434	4.4
515.20398	26.4
522.22498	16.9
534.22260	20.0
542.22412	3.8
556.20630	14.1
558.22363	7.7
568.20850	8.1
572.23486	6.9
574.21790	14.9
576.23230	4.5
582.23932	8.0
585.24146	8.7
586.21429	21.0
588.23206	40.8
592.22803	19.3
594.24438	40.7
595.25659	4.2
600.23474	39.4
603.25500	7.3
604.22815	19.6
606.24542	85.4
618.24426	59.3
624.25482	100.0
625.25897	4.8
631.26129	5.7
632.25720	10.3
636.16101	7.1
636.25574	98.6
649.26318	5.7
650.26965	9.2
653.23242	5.0
655.24927	4.9
664.24976	10.8
675.27100	6.6
677.28986	5.5
693.29071	24.9
695.30811	4.6
703.27179	11.6
707.30682	39.2
711.29553	7.1
721.28632	34.8
725.31744	98.2
735.29749	13.1
739.29309	15.1
743.33209	27.8
753.31079	76.4
757.30133	15.5
771.31830	19.6
774.31061	8.3
775.31378	9.8
776.30896	15.3
789.32947	11.7
806.32983	6.7
807.33105	23.2
897.35376	10.2
929.38861	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	928.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	6.5
69.03413	3.4
69.07069	2.4
71.58997	2.0
79.05487	3.8
81.03416	5.1
81.07052	4.6
85.02897	4.4
91.05488	5.8
93.05776	1.8
93.07042	6.5
94.06568	11.0
95.04958	3.4
95.07344	6.2
95.08594	2.2
96.08112	14.4
97.02886	2.7
97.06553	2.3
102.53358	1.7
105.04521	1.8
105.07030	3.6
106.06543	1.7
107.08616	2.4
108.04479	8.0
108.08119	28.5
109.02824	1.8
109.10118	1.9
110.09679	23.5
120.08101	14.6
122.06012	6.5
124.07573	1.9
126.05531	3.4
127.03922	3.2
132.04413	3.5
134.06009	2.5
136.07599	14.2
137.05940	3.3
138.09146	29.2
140.07062	4.0
145.02789	2.5
148.07535	8.0
150.09155	6.8
152.07019	8.6
160.03920	12.9
160.07596	2.3
164.07024	8.6
166.08630	22.3
172.03911	3.4
177.05481	4.4
178.04913	3.6
182.08051	8.9
190.04958	2.1
192.06586	2.9
197.10773	2.6
199.08609	4.2
204.06554	2.0
204.84184	1.7
206.08159	2.6
211.08623	6.9
211.12292	5.4
212.09355	2.5
212.13283	2.2
213.10214	9.0
220.09912	2.2
223.08627	5.7
223.12404	3.2
224.09430	3.8
225.10234	21.7
225.13812	2.9
226.11008	11.2
227.11771	12.8
235.08743	3.2
237.10156	12.7
237.13873	3.6
238.10980	11.3
239.08121	11.3
239.11784	46.3
240.12485	9.3
241.13373	4.0
248.09315	5.4
249.10164	9.0
249.13934	2.0
250.10924	8.3
251.08127	5.2
251.11816	34.8
252.09019	4.7
252.12497	6.8
253.09772	15.7
253.13359	35.4
254.10591	10.0
263.11768	19.4
264.08932	3.8
264.12485	5.9
265.09769	12.9
265.13351	35.1
266.10385	9.3
267.11304	30.9
268.12057	3.2
269.12775	3.2
271.10782	5.5
275.11859	2.1
277.09793	3.0
277.13538	1.8
278.10535	6.2
279.11319	24.2
280.11996	4.5
281.12845	54.9
283.10696	6.8
283.13937	2.3
285.12320	19.3
286.13141	5.5
291.11224	10.2
292.12045	2.6
293.12762	15.4
295.10684	3.4
295.14209	4.1
296.11673	1.9
297.12369	7.6
298.13068	5.1
299.13889	15.8
307.10553	3.9
309.12341	30.0
310.13062	3.4
311.13840	17.4
313.15372	4.4
314.13101	2.2
319.10880	4.3
321.12280	7.4
325.11945	2.4
325.15646	1.9
327.13330	19.4
339.13312	5.8
341.14954	40.9
351.13239	4.8
353.15033	6.5
357.14603	3.4
359.16190	2.1
369.14505	14.9
371.16006	4.2
372.16879	2.5
381.14218	2.2
387.15500	8.7
399.15515	3.6
400.16885	2.0
401.17252	10.0
411.15460	5.2
412.03473	2.2
413.17236	3.8
425.17233	2.9
426.95505	2.1
429.16617	18.7
435.16302	2.2
453.16470	2.9
462.20276	4.9
471.17352	3.6
474.19922	4.4
506.23267	2.3
534.22467	2.4
550.21735	4.0
562.21411	2.8
568.23138	11.0
574.21710	3.0
582.24280	17.4
592.23029	2.9
594.24188	5.6
595.25677	2.7
606.24408	3.6
608.21918	3.0
610.14587	2.9
610.23944	46.3
620.22205	4.4
622.23694	3.2
624.24969	5.2
636.24683	3.1
641.25183	4.4
642.16077	1.7
642.26099	10.7
652.24982	22.6
654.26752	12.0
655.56470	1.8
670.96991	2.5
725.31116	2.9
731.29175	70.0
732.29718	3.2
743.16394	3.0
743.29108	43.0
745.29999	4.2
757.30219	3.0
763.31842	100.0
764.31329	2.5
775.31842	94.8
776.32349	2.6
791.81903	1.9
806.33276	5.1
807.34467	3.8
827.93701	1.8
878.36188	10.0
896.36023	6.0
910.38934	8.1
928.39703	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	928.398
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.3
67.05500	4.7
69.03432	2.7
69.07072	9.8
70.21391	2.1
70.21811	2.7
79.05496	3.1
80.05033	2.3
81.03415	4.7
81.07037	2.0
82.06561	2.4
85.02894	3.7
91.05466	3.7
93.07043	6.6
94.06569	9.3
95.04952	4.3
95.07347	7.0
95.08579	1.6
96.08126	12.3
97.02911	2.8
97.06529	1.2
103.05509	1.5
106.06543	1.2
107.08578	1.0
108.04492	7.3
108.08119	31.2
109.02882	2.9
110.09678	22.7
118.06536	1.1
119.08577	1.3
120.08113	17.1
121.06531	1.5
122.05995	7.8
123.06804	1.2
124.07613	2.6
127.03922	2.1
132.04445	2.7
132.08025	1.3
134.06007	3.8
136.07602	10.0
137.06039	1.0
138.09137	29.2
138.10190	1.8
140.07054	1.9
145.02814	1.8
146.06047	1.9
146.09592	1.1
148.07564	9.4
150.09171	4.7
152.07040	3.9
160.03963	13.8
160.07607	1.5
162.05583	1.2
164.07048	3.0
166.08632	22.3
172.03941	3.4
177.05412	1.8
178.04990	2.8
182.08173	3.6
190.04991	2.1
192.06531	1.6
199.08685	3.1
200.06993	1.8
202.05003	1.8
204.06580	3.0
206.08223	1.7
209.10728	1.3
210.11485	1.7
211.08603	4.8
211.12279	6.6
212.09363	1.6
212.12961	1.3
213.10258	6.0
214.77460	1.0
222.11351	1.9
223.08640	6.7
223.12323	4.0
224.09286	2.8
225.10243	25.6
225.13863	3.5
226.10963	9.7
227.11815	10.9
235.08652	4.1
235.12294	1.7
236.09583	3.8
237.10236	15.6
237.13918	3.0
238.11020	10.2
239.08199	10.2
239.11787	54.0
240.12534	8.1
241.13351	3.2
247.12421	2.2
248.09222	5.3
249.10268	11.6
250.10915	9.7
251.07993	5.2
251.11801	33.9
252.09010	3.5
252.12581	6.2
253.09747	14.4
253.13364	37.7
254.10487	6.8
254.14011	1.9
255.11183	1.9
262.10995	1.9
263.08871	1.7
263.11780	18.3
264.09009	3.1
264.12454	3.0
265.09763	13.6
265.13354	32.7
266.10510	11.9
266.13931	2.8
267.11322	31.8
267.14490	1.9
268.12057	3.7
269.12933	3.0
271.10788	6.0
275.12027	1.3
276.12720	1.2
277.09720	5.0
278.10352	9.8
279.11288	22.2
280.11905	3.4
281.12848	57.6
282.13504	1.4
283.10782	6.8
283.14230	1.9
284.11514	2.5
285.12375	17.4
286.13068	4.5
287.13779	2.3
291.11258	7.5
292.11923	2.7
293.09586	2.1
293.12808	19.0
294.13464	2.6
295.10852	2.7
295.14386	3.8
296.11533	1.3
297.12396	7.1
298.13043	2.9
299.13965	13.8
305.12781	1.5
307.10767	3.8
308.12048	1.3
309.12329	27.4
311.13885	17.5
312.14310	1.2
313.15353	3.7
319.10788	3.7
321.12277	8.2
323.13956	2.0
324.14520	1.2
325.11792	2.5
327.13342	12.5
337.11859	1.1
339.13519	6.0
340.14139	2.2
341.14972	38.6
342.15753	2.4
344.17615	1.3
351.13409	2.4
353.15146	4.9
357.14639	2.7
358.15277	2.0
359.16098	1.4
360.17050	1.1
369.14346	5.4
370.14612	1.4
371.16003	3.1
372.17065	1.3
387.15396	2.3
401.17007	2.9
402.18158	1.3
411.15463	3.3
412.16580	1.2
412.82825	1.3
413.17130	1.7
414.18079	2.3
416.19479	1.1
425.17166	2.4
429.16394	6.9
435.15594	1.9
437.17184	1.2
441.16696	1.3
442.17798	2.7
443.18069	2.1
446.20044	1.9
449.19095	2.7
453.16367	3.4
462.20364	5.8
471.17386	2.3
474.20334	5.5
492.20911	1.7
506.22906	3.7
513.18512	1.3
526.21283	2.5
550.21307	1.7
554.20398	1.2
564.22937	1.2
568.22980	16.7
580.23077	1.5
582.24432	17.9
592.22797	4.0
594.24292	6.5
595.25458	2.1
608.22369	2.9
610.23956	60.9
620.22052	2.9
622.23706	3.9
624.25470	3.8
627.28174	1.7
636.25293	2.0
637.25354	1.4
640.24817	2.8
641.25702	3.6
642.26642	16.4
652.25067	20.7
653.25604	1.4
654.26556	12.4
713.29016	1.3
715.29523	1.7
725.29346	1.1
731.29211	47.5
732.29303	1.5
743.29156	38.5
744.30011	1.3
745.30438	2.3
754.30988	1.2
757.30206	4.0
763.31836	86.5
764.32007	1.5
773.30505	2.1
774.31836	1.4
775.31805	100.0
776.31653	2.5
789.33508	1.9
806.33881	5.3
807.33606	1.8
878.36609	5.5
896.36945	6.6
910.37848	7.4
928.39594	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	927.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88201	2.2
67.05499	11.4
67.86447	2.7
69.03414	4.5
69.07064	3.7
69.49093	2.6
70.25748	10.4
75.56525	2.3
79.05495	11.8
80.05039	4.0
80.08285	2.2
81.03413	13.6
81.07054	6.8
82.06591	4.2
83.04965	2.4
83.08615	2.8
85.02890	11.5
87.40901	2.3
89.03873	2.4
91.05469	14.3
93.05787	2.7
93.07047	22.6
94.06575	19.9
95.04958	9.9
95.07351	11.1
95.08617	7.3
96.08134	22.6
97.02897	7.8
97.06525	4.7
103.05476	7.0
105.07012	3.3
107.04952	5.1
107.08624	7.0
108.04491	8.9
108.08121	39.4
109.02867	9.7
109.10123	3.4
110.09679	46.7
111.08089	3.1
117.07043	4.4
118.06524	2.2
119.04958	3.6
119.08594	3.3
120.04404	3.2
120.08112	33.2
121.06517	25.1
121.10152	3.4
121.69431	2.5
122.06023	26.0
122.09653	9.4
124.07631	2.7
127.03918	7.1
131.08585	2.7
133.10110	3.0
134.06018	5.5
136.07568	25.9
137.05960	10.9
138.09135	60.2
144.08133	2.8
145.02834	7.1
145.10138	3.1
146.09628	2.6
147.04405	6.6
148.07547	19.9
150.09151	9.8
152.07057	5.8
152.10646	2.9
153.51088	2.5
160.03896	17.8
160.07639	3.8
162.05602	3.4
164.07063	5.7
166.08662	50.4
172.03934	6.2
174.05486	3.6
177.05505	12.6
184.07420	4.2
186.05502	2.6
186.09088	2.8
187.11028	3.5
192.06541	3.1
198.09171	4.5
199.08736	4.6
200.07018	2.7
202.08495	2.5
204.06573	8.0
211.08646	9.0
211.12233	8.4
213.10306	9.2
214.08670	3.6
216.10243	3.7
223.08752	7.8
223.12262	4.4
224.09259	4.0
224.13081	4.7
225.10222	36.0
225.13861	4.6
226.10930	17.8
227.11760	18.6
229.13173	3.3
234.11343	2.8
235.08521	3.7
236.09354	5.8
237.10263	19.4
237.13789	6.5
238.11070	18.7
238.63875	2.6
239.08197	20.9
239.11800	60.1
240.12547	17.3
241.13292	5.7
244.09744	3.5
246.11382	3.2
248.09435	4.1
249.10220	14.2
250.10965	16.6
251.08269	7.2
251.11815	55.6
252.08939	5.3
252.12454	12.1
253.09708	20.3
253.13336	45.3
254.10373	18.5
255.11211	6.1
263.11835	29.9
264.08948	4.3
264.12518	10.0
265.09778	21.8
265.13373	52.5
266.10495	14.1
266.13995	6.1
267.11316	42.2
267.14368	3.7
268.11978	7.8
269.12839	5.2
271.10870	6.1
275.12018	3.8
277.09741	4.6
277.13315	4.1
278.10550	9.5
279.11334	31.2
280.12109	8.2
281.12857	62.3
282.13498	4.6
283.10715	11.4
283.14142	5.1
284.11407	4.1
285.12326	29.3
285.15292	3.5
286.13135	7.4
287.13907	3.3
291.11310	8.2
293.09558	5.0
293.12738	31.9
294.13217	2.8
295.10809	6.8
295.14365	11.9
296.11597	3.4
297.12305	18.5
297.15485	3.9
298.13147	8.3
299.13977	25.9
305.12897	4.6
307.10779	6.9
308.11450	2.8
309.12350	59.4
310.13086	6.7
311.10468	3.2
311.13806	33.6
312.14740	5.1
313.15460	8.3
319.10684	5.2
321.12183	13.3
323.13934	3.4
325.11871	6.6
325.15460	5.1
327.13403	47.1
329.15265	3.2
335.13657	5.2
337.11920	9.2
338.12537	4.4
339.13251	17.2
341.14957	54.6
344.13950	4.5
351.13452	4.4
353.15060	12.1
355.13388	7.5
357.14374	7.3
358.15396	6.1
369.14502	38.9
370.15396	3.5
371.15991	14.5
372.17004	7.1
381.14563	3.9
383.15979	6.5
386.18716	3.8
399.15475	4.0
401.17038	4.9
402.17996	3.3
407.15976	7.4
411.15363	19.8
412.16141	4.1
413.16943	9.3
414.18228	4.4
423.15503	4.9
425.17059	20.4
425.31067	2.7
429.16544	16.4
430.17584	4.9
432.18887	6.8
435.15585	16.5
437.16974	9.2
441.16772	4.5
442.17609	3.2
443.18323	15.0
447.15286	3.9
453.16537	50.8
454.17215	4.8
455.18015	9.2
460.18713	8.0
462.20508	6.9
463.14960	4.8
465.16595	9.5
467.18173	8.8
471.17584	35.1
473.18741	6.2
474.20303	14.6
480.21237	3.7
481.15881	6.4
483.17413	7.8
485.19119	12.7
490.19669	3.5
492.21176	15.4
495.17560	4.1
497.19168	10.5
498.20013	3.6
501.18765	3.8
502.19775	3.7
503.20428	5.9
506.22925	5.4
513.18585	11.0
515.20007	22.3
522.22681	14.6
528.21307	4.0
534.22284	21.3
540.21149	4.3
556.20569	7.6
558.22198	4.7
562.22015	4.2
568.20837	5.0
574.22064	17.7
582.24329	3.1
586.21704	18.9
588.23364	36.1
592.22906	18.0
594.24561	42.2
595.24902	5.9
600.23352	33.9
602.23309	2.7
603.25677	7.5
604.23071	17.1
606.24384	73.8
607.24988	3.4
618.24493	58.6
619.25555	4.3
624.25562	100.0
625.25208	5.0
627.27679	3.3
631.24609	6.9
632.25977	13.7
636.16022	4.8
636.25623	74.3
650.26984	4.6
651.25116	4.7
653.26068	4.6
654.26056	4.0
664.24792	9.3
675.28204	8.0
679.27979	3.1
687.29663	6.2
693.29382	17.3
698.65405	3.1
703.27563	4.7
707.30737	36.2
711.30359	9.5
721.28650	30.3
725.31775	92.0
735.29565	11.7
739.29517	18.0
742.29242	3.1
743.32983	27.5
753.31226	83.0
755.29852	3.5
757.30914	14.0
761.33997	4.2
771.32153	23.5
774.31586	9.8
789.32733	11.7
805.34363	4.0
895.34344	3.1
909.49164	7.5
927.38879	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	925.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	6.5
67.20061	1.8
69.03410	2.9
69.57203	3.4
69.57618	11.0
79.05505	4.5
80.05003	4.5
81.03422	7.9
83.04979	3.0
85.02894	4.5
91.05489	3.5
93.05780	4.7
93.07025	9.3
94.06572	17.5
95.04945	4.9
95.07343	10.8
96.08132	24.8
97.02904	5.1
97.06521	3.1
99.04450	2.0
103.05479	1.9
106.06513	2.7
107.04931	2.1
108.04474	6.7
108.08117	41.9
109.02880	3.4
109.08883	2.6
110.09682	39.3
118.06512	2.8
120.08099	37.0
121.06516	2.2
122.06041	16.7
122.09648	6.7
124.07582	4.1
127.03991	4.3
132.04453	3.6
134.06001	7.2
136.07567	25.3
137.06006	2.2
138.08148	2.3
138.09135	62.7
139.38591	1.7
146.06075	3.0
146.09641	2.4
148.07576	17.9
150.09183	12.9
152.07071	4.9
160.03947	17.1
160.07631	3.5
162.05466	2.9
164.07072	5.4
166.08638	55.3
172.04002	2.2
174.09131	3.7
176.07018	1.9
177.05498	3.5
178.05020	2.3
180.10251	2.9
186.09187	3.4
190.04860	2.7
192.06514	3.1
197.10701	2.3
199.08707	5.5
202.08621	5.7
204.06607	5.9
211.08676	4.6
211.12296	6.6
213.10181	9.4
214.08760	2.0
214.10927	2.5
216.10210	3.6
221.10837	2.1
222.11404	2.3
223.08627	9.5
223.12280	5.3
224.13037	2.4
225.10211	29.4
225.13731	4.5
226.08835	3.1
226.10896	18.1
227.08212	4.1
227.11768	20.2
229.13338	3.1
232.09718	2.9
233.67992	2.2
235.12289	3.2
236.09399	3.7
237.10207	19.2
237.13890	6.0
238.10936	17.5
239.08209	17.9
239.11766	59.3
240.12534	14.8
241.09578	4.5
241.13327	7.9
244.09677	5.3
246.11320	4.7
249.10277	11.7
250.10918	14.0
251.08261	8.2
251.11784	56.3
252.08931	4.7
252.12489	10.0
253.09734	23.2
253.13379	46.8
253.15962	2.2
254.10434	20.3
255.11272	4.6
260.09229	4.0
262.11096	3.3
263.11771	32.2
264.12543	8.0
265.09753	21.8
265.13376	44.9
265.15985	3.8
266.10550	15.9
266.14047	9.0
267.11285	40.6
267.14783	5.4
268.11948	5.3
269.09311	2.3
269.12808	6.6
271.10788	7.6
275.11823	2.9
276.12619	2.5
277.09683	8.7
277.13275	6.5
278.10413	10.3
279.11261	29.4
280.11942	6.8
281.09869	3.0
281.12854	72.7
282.13434	5.7
283.10794	12.5
283.14389	6.0
284.11633	2.6
285.12350	31.5
286.13162	6.2
291.11346	17.2
292.12039	5.4
293.09506	3.0
293.12766	33.7
294.13513	2.8
295.10849	7.5
295.14435	12.5
296.11533	5.2
297.12393	19.0
298.13019	11.0
299.13855	29.1
303.11166	3.0
305.09402	2.5
305.12845	3.4
307.10626	6.5
309.12335	62.6
310.13068	5.4
311.13858	34.2
312.14645	4.4
313.12082	3.0
313.15350	10.5
319.10815	8.0
321.12314	14.5
323.10367	2.5
323.13879	6.1
323.69821	2.3
325.11838	8.2
326.12494	3.4
327.13373	42.2
328.14209	4.3
337.11801	9.5
338.12314	3.8
339.13388	11.3
340.14249	4.1
341.14948	62.6
351.13370	7.0
353.14993	12.8
355.16574	3.7
356.13840	2.8
357.14481	8.4
358.15414	6.6
359.16040	6.7
360.17313	2.5
369.14456	35.6
370.15289	3.7
371.16061	20.5
381.14661	2.9
383.16058	6.7
391.16360	3.0
393.14618	3.2
395.16171	4.7
397.17844	2.6
399.15567	4.3
400.16501	5.1
401.17178	6.5
402.18228	3.5
405.14859	2.3
407.16037	5.8
411.15588	18.9
412.16129	3.8
413.17010	13.0
414.18091	4.9
416.19809	5.3
418.17328	3.4
420.19308	4.3
425.17099	13.4
427.18814	2.5
429.16541	19.1
430.17657	3.5
432.19247	9.1
434.20532	2.7
435.15512	15.0
437.16916	4.4
439.14734	2.3
441.16602	7.4
442.17361	5.4
443.18176	18.4
444.19516	2.6
446.21002	3.5
447.15256	2.3
448.18256	3.3
451.15097	2.3
453.16586	51.0
454.16879	3.4
455.18079	10.9
460.18619	7.2
462.19858	4.4
463.14996	5.8
465.16681	8.9
466.17279	3.0
467.18076	6.2
471.17685	48.7
472.18170	3.3
473.19064	6.2
474.20224	14.2
479.18372	3.2
480.21179	7.0
481.16452	7.0
482.17099	2.0
483.17447	8.5
485.18829	9.5
490.19666	3.0
492.21259	17.2
495.17960	2.4
497.19238	6.5
499.16507	2.8
501.18613	5.2
502.19852	3.7
503.20236	7.3
506.22586	4.5
513.18646	19.1
514.19171	2.9
515.20215	24.4
522.22607	17.0
528.21021	3.1
534.22583	20.5
540.21051	3.0
542.22906	3.2
556.20697	9.1
560.24023	3.0
562.21753	2.6
568.20886	5.1
570.22589	2.3
572.23083	3.2
574.22156	9.9
576.23889	3.3
582.23969	2.9
586.21637	13.0
588.23486	33.6
589.23523	5.4
590.24500	2.8
592.22821	16.1
594.24463	49.3
595.24738	8.9
600.23291	24.1
603.25415	4.6
604.22516	11.7
606.24426	52.8
607.24744	3.1
613.26129	3.1
618.24420	48.3
619.24683	6.0
624.25494	100.0
625.25513	8.2
627.27905	3.1
631.25031	6.6
632.26038	13.4
636.25488	97.3
637.25543	6.8
645.29388	2.6
646.23572	2.3
649.26251	2.3
650.27008	4.7
651.27502	2.5
654.25964	4.8
664.25360	9.3
667.26703	2.4
668.27722	4.7
675.27728	6.4
687.29675	7.4
693.29193	12.1
703.27393	5.4
707.30597	34.4
710.28955	2.8
711.29901	7.6
714.90320	2.3
721.28680	32.0
722.29254	4.6
725.18811	4.4
725.31744	90.0
726.31763	6.1
728.30133	6.6
729.31378	4.2
735.29742	10.7
739.29535	21.7
740.30310	10.8
743.32611	25.6
753.17914	4.6
753.31299	86.1
754.31409	14.6
757.30798	14.4
761.33203	5.7
771.19611	2.5
771.32422	31.6
772.32019	10.1
789.33337	24.6
875.36548	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	923.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	4.4
67.05505	11.6
69.03421	11.7
69.07079	4.1
71.04990	6.5
71.56316	5.5
73.02917	4.9
75.06373	2.8
79.05492	9.1
80.05023	2.8
81.03426	22.8
81.05794	4.5
81.07056	7.9
83.04984	6.2
84.22327	2.8
85.02906	20.4
91.05482	14.1
93.05801	4.9
93.07029	19.5
94.06560	21.8
95.04970	10.1
95.07363	15.9
95.08622	7.6
96.08128	28.7
97.02888	13.2
97.06493	3.6
99.04446	9.5
105.07062	4.9
106.06529	3.4
107.04947	5.2
107.07381	4.4
107.08556	7.3
108.04467	5.9
108.08118	45.8
109.02876	12.7
109.10125	7.1
110.09689	53.2
116.05009	4.2
117.03355	3.3
118.06496	3.2
120.04458	4.5
120.08118	35.3
121.06468	3.7
122.06017	22.4
122.09678	7.8
124.07581	7.9
127.03909	8.5
129.06992	3.9
131.04958	3.6
134.06006	6.8
136.07567	31.2
137.05989	8.8
138.09137	60.9
145.02892	4.7
145.04927	3.5
146.06003	9.9
147.04404	3.7
148.07576	23.8
150.09138	10.1
152.07054	6.4
155.08554	4.0
160.03946	21.6
162.05545	7.5
163.07491	3.7
164.07095	10.9
165.09132	4.1
166.08646	56.9
167.09038	3.6
172.03937	16.3
174.05528	6.3
174.09140	3.8
176.07030	5.2
177.05443	15.8
182.09785	3.3
184.07394	3.1
186.09225	4.5
190.05005	15.4
197.10944	4.7
198.09192	3.6
199.08510	4.2
199.12318	5.8
204.06557	25.4
209.10718	5.4
210.11552	3.9
211.08711	7.6
211.12367	6.9
212.09355	4.2
213.10278	8.6
213.14001	4.4
223.08606	9.5
223.12422	4.1
224.09424	3.4
224.12999	3.8
225.10231	43.6
225.13812	5.7
226.10942	18.3
227.11766	52.8
235.12227	5.4
236.09238	3.3
237.10231	26.0
237.13853	7.3
238.10973	12.8
239.08142	20.3
239.11810	52.0
240.12521	16.3
241.09671	4.4
241.13400	10.2
244.09703	4.2
244.49081	3.0
248.09392	3.4
249.10210	15.5
250.11014	19.3
251.08119	7.8
251.11766	57.2
252.08830	6.2
252.12567	13.3
253.09755	29.0
253.13351	43.5
254.10536	23.4
254.13776	3.1
255.11218	7.1
263.08203	5.5
263.11819	27.8
264.12579	9.2
265.09738	22.2
265.13382	54.9
266.10458	11.2
266.14105	7.9
267.08600	2.7
267.11307	44.1
267.14194	4.4
267.15488	5.1
268.11884	4.6
269.12811	18.1
271.10782	11.7
272.95624	3.0
277.09781	11.2
277.13278	3.9
278.10541	7.6
279.11313	36.8
279.50400	3.7
280.11993	6.5
281.12863	59.0
282.13510	6.9
283.10782	15.4
283.14749	8.7
284.11740	4.6
285.12277	33.2
286.13068	11.3
287.13882	7.9
291.11316	11.3
292.12238	5.6
293.09869	4.9
293.12820	29.9
294.13644	4.8
295.10699	8.8
295.14371	9.2
297.12378	23.0
298.13254	10.5
299.13892	35.1
307.10562	5.9
309.12329	72.4
309.74994	3.9
310.12708	5.1
311.13910	38.4
312.14691	4.8
313.11844	6.8
313.15408	5.7
314.12924	3.8
315.13971	3.9
316.14728	4.9
319.10751	7.3
321.12274	12.1
323.13937	7.0
325.11862	13.0
325.15411	4.4
326.12561	3.6
327.13388	80.0
329.15234	8.8
330.16129	3.8
337.07999	3.3
337.11652	16.4
338.12744	6.6
339.13327	17.7
341.15009	52.2
342.12317	5.3
342.15991	5.6
344.13849	6.1
351.13458	7.3
352.14340	4.1
353.14856	12.3
355.12930	6.2
356.13876	7.1
357.14835	17.7
358.15414	11.4
359.16058	10.4
369.14395	38.7
370.15448	10.1
371.16061	26.5
372.16916	6.0
382.11465	3.6
383.16354	4.6
384.13046	6.2
388.16592	6.6
395.16165	7.4
398.14957	19.9
398.23126	5.1
399.15814	25.1
400.16452	7.9
401.17065	6.8
402.18091	5.3
405.13834	6.4
407.15979	7.1
411.15506	15.9
412.16272	9.7
413.17242	22.3
414.17889	7.6
416.20041	4.9
420.18835	3.9
425.17233	15.0
429.16394	10.3
430.17352	7.9
431.18161	14.4
432.19095	8.3
435.15482	11.7
437.16812	5.4
440.15762	7.8
441.16306	4.4
443.18091	22.2
446.20682	4.8
448.18427	7.9
453.16437	37.3
455.18143	7.1
458.17047	5.0
460.18515	14.2
462.20392	3.8
465.16406	9.2
467.18497	5.6
471.17651	23.4
472.18613	3.5
473.19034	4.1
474.20288	10.5
480.21512	26.8
483.17691	10.4
485.19180	9.4
492.21335	58.2
501.23666	18.6
503.20416	4.2
506.22928	6.0
513.18439	13.4
515.20532	15.8
522.22424	12.0
528.20825	5.6
532.20856	3.8
534.22400	16.2
551.46460	4.5
556.20593	5.8
559.60693	3.8
560.20776	6.9
564.23474	3.9
567.25421	7.6
574.21753	10.4
576.23431	7.2
586.21924	10.9
588.23248	21.1
590.21490	9.3
592.22559	10.8
594.24402	28.2
596.25586	5.5
600.23413	17.8
602.21338	16.2
603.26038	4.4
604.22876	10.4
606.24323	49.1
608.25818	10.7
613.26605	33.3
618.24280	36.2
620.22449	4.6
624.25568	63.9
627.27539	4.3
631.25104	5.9
632.25653	10.0
634.23352	6.0
636.25568	71.0
637.25525	3.6
645.28833	17.2
649.26575	6.0
663.28735	16.8
664.25232	8.7
666.25482	5.4
675.27673	7.2
687.29407	6.8
693.28778	12.7
703.26544	4.3
707.30585	23.6
711.29272	6.8
719.26630	10.7
721.28339	26.7
725.31818	65.4
726.28882	9.4
727.29639	4.2
735.29492	6.1
737.28210	14.1
738.28271	18.3
739.29608	15.3
743.32123	20.2
753.31354	58.5
755.29016	64.5
757.30365	10.7
761.33435	4.9
769.29974	4.9
770.31488	17.0
771.32129	24.5
787.31647	18.7
789.33221	17.3
873.34998	9.4
891.36700	37.0
923.45087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.9
67.05504	9.5
69.03435	12.6
69.07061	3.8
70.56759	9.4
71.01342	3.4
71.04996	4.0
72.08176	3.6
73.02901	3.4
79.05493	11.9
81.03418	16.3
81.07059	7.1
83.04994	3.4
85.02900	12.2
85.48841	3.2
89.94495	2.8
91.05479	12.8
93.07057	20.5
94.06567	22.8
95.04928	4.2
95.07347	19.5
95.08601	5.6
96.08139	30.6
97.02886	12.2
97.06528	3.6
103.05448	7.4
107.08575	3.0
108.04485	8.0
108.08131	50.2
109.02895	9.5
110.09688	51.5
118.93562	3.2
120.08099	42.1
121.06508	3.8
122.06031	28.2
122.09715	4.8
127.03922	5.4
129.05452	3.9
133.06393	3.3
134.06015	6.4
136.07564	26.3
137.05995	8.5
138.09149	71.6
146.06047	6.1
147.04410	5.0
148.07651	16.7
150.05493	4.7
150.09126	13.0
152.07068	9.2
155.57405	3.2
160.03941	23.2
160.07481	3.6
162.05548	3.8
164.07094	7.5
166.08646	55.0
172.03941	5.5
174.05400	4.2
174.09004	4.2
177.05434	9.1
199.08725	5.2
204.06503	7.7
208.09631	4.7
211.08688	8.0
211.12381	7.1
212.09358	4.5
213.10237	7.2
223.08646	9.3
223.12285	7.7
224.09273	3.8
225.10252	50.6
225.13770	6.9
226.10959	23.0
227.11795	21.1
234.11470	3.6
235.08652	7.7
236.09302	7.4
237.10246	28.4
237.13899	7.4
238.10966	23.7
239.08186	16.7
239.11818	76.4
240.12523	17.2
241.09793	4.5
241.13388	8.4
246.11375	3.5
248.13120	3.4
249.10251	13.2
250.10968	15.4
251.08047	8.4
251.11800	70.9
252.08990	7.2
252.12521	15.6
253.09726	33.8
253.13385	58.9
254.10490	20.1
254.14236	4.1
255.11339	6.5
263.11847	35.6
264.09039	5.1
264.12473	10.0
265.09775	29.6
265.13370	62.4
266.10522	23.1
266.13943	4.5
267.11301	49.7
267.14664	4.9
268.11942	5.7
269.12848	5.2
271.10791	9.8
275.07126	3.7
277.09671	8.6
277.13303	7.0
278.10641	9.8
279.11307	41.8
280.12054	11.2
281.12845	78.6
282.13184	3.9
283.10818	15.5
283.14172	5.2
284.11478	6.6
285.12378	32.4
286.12869	7.0
291.11237	17.5
293.12894	33.2
294.13544	5.1
295.11090	5.9
295.14456	10.2
297.12265	19.9
298.13062	8.1
299.13937	34.2
303.11343	4.1
307.10880	5.7
309.12347	61.5
310.13040	8.1
311.13898	48.0
312.14359	4.0
313.12009	4.3
313.15506	10.6
319.10696	10.9
321.12366	16.9
323.13782	5.1
325.11914	8.3
325.15491	4.5
326.12531	4.2
327.13419	48.4
335.13895	4.7
337.11725	4.5
339.13400	7.7
340.14035	3.9
341.14966	71.0
342.15796	3.8
351.13385	6.7
353.15131	19.6
356.13916	4.2
357.14627	9.7
359.16092	5.4
369.14481	35.0
370.15085	4.5
371.16180	19.9
381.14740	5.4
388.16394	5.4
400.16541	6.2
402.18405	4.2
407.16238	5.1
409.17743	4.8
411.15555	22.6
412.16556	3.5
413.17130	13.3
414.18289	4.9
416.19653	6.7
418.17584	5.2
420.18896	5.0
425.17181	14.2
429.11386	3.6
429.16519	14.7
430.17664	5.6
432.19211	4.5
435.15518	13.1
437.16855	10.3
441.16568	6.6
442.17407	4.1
443.18063	16.8
453.16599	52.7
455.18149	12.2
460.18628	6.6
462.19797	8.0
465.16470	5.1
467.18082	6.9
471.17572	47.4
472.18198	5.5
473.19272	9.9
474.20209	9.8
480.21387	7.4
481.16309	5.8
483.17776	9.7
485.19330	8.3
492.21295	14.7
495.17554	5.4
497.19153	11.4
503.20218	7.8
513.18884	16.6
514.18939	4.3
515.20215	20.9
522.22357	11.7
531.19489	7.9
532.20123	4.0
533.21283	6.2
534.22382	20.1
540.21307	4.1
556.20947	8.0
558.21942	5.0
562.22095	4.9
568.20770	4.0
574.21710	10.7
586.21393	16.4
588.23334	29.8
592.22400	7.5
594.24506	57.6
595.24969	6.5
600.23541	23.1
604.22852	13.6
606.24414	61.1
618.24506	50.8
622.23651	5.1
624.25549	95.3
631.24438	4.8
632.25708	5.8
636.25513	100.0
645.22980	5.9
647.24414	6.2
654.26782	20.5
664.24750	12.4
666.26324	4.7
668.27478	5.4
687.29950	6.4
693.28430	5.0
707.31049	21.7
711.29718	6.6
720.27045	7.0
721.28619	26.3
725.31909	67.4
726.29053	6.1
729.29486	5.3
735.29846	11.2
736.28387	5.0
739.29413	11.1
743.32697	25.5
750.27643	4.7
753.31091	68.1
757.30096	14.9
761.32916	8.0
768.29474	18.8
771.32330	23.4
789.33093	26.3
903.34473	3.7
921.37665	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	918.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.4
67.05507	40.7
69.03430	3.6
69.07069	8.7
70.70024	1.9
71.01348	1.3
71.04993	2.6
73.02923	4.2
79.05495	26.1
79.05964	1.3
81.03416	4.8
81.04929	1.0
81.07056	45.4
83.04980	2.7
83.08626	12.5
85.02909	13.6
85.06514	1.9
85.80117	0.9
91.03975	8.0
91.05482	25.5
92.40034	0.9
93.07044	39.9
95.04966	6.1
95.08608	29.9
97.02894	9.5
97.06497	3.7
97.10167	3.4
99.00822	13.7
99.04445	2.6
105.07035	21.1
105.61230	0.8
107.04984	5.0
107.05592	0.8
107.07867	1.2
107.08595	21.7
109.02892	7.8
109.06531	3.1
109.10160	19.4
111.04443	1.1
111.08076	4.5
115.03934	2.2
115.05441	1.0
117.07016	6.6
119.04989	1.0
119.08576	15.3
121.06481	6.6
121.10151	16.4
123.04497	1.9
123.08108	1.7
123.11711	7.4
125.09627	1.7
127.03922	6.8
127.88713	0.8
129.07004	1.1
131.08572	7.7
133.10130	40.3
135.08076	1.5
135.11688	10.9
137.05984	1.0
137.09624	1.9
137.13217	1.5
139.07524	3.0
143.08574	5.0
145.04977	3.5
145.06464	1.0
145.10144	6.5
147.08020	1.2
147.11685	5.3
148.69127	0.9
149.13274	6.4
151.11188	10.8
152.50383	0.7
157.10063	0.8
159.11725	4.1
161.09633	17.6
161.13214	4.8
163.06056	3.7
163.11176	1.3
163.14799	4.1
171.08020	4.9
173.13248	5.3
175.14839	1.4
177.16454	1.5
179.10663	8.0
180.08554	1.0
184.07463	1.0
187.14825	2.7
189.09074	6.9
197.11777	3.1
207.10168	3.5
225.11246	10.7
227.12857	1.4
243.12268	2.5
243.18610	1.0
243.21074	7.4
247.68887	0.8
261.22141	20.1
277.21854	1.1
281.13849	3.3
299.14908	88.4
300.15210	1.8
315.23206	3.3
317.24780	3.1
335.25803	100.0
336.26166	2.1
403.29736	1.0
421.31036	1.3
439.32150	1.1
449.30371	2.2
457.32898	1.9
467.31631	4.5
485.32504	3.4
495.34570	0.8
513.35626	4.1
515.36859	2.0
531.36633	4.1
541.35266	14.8
559.36304	65.9
560.36652	1.8
577.37677	4.1
658.46356	1.3
803.75848	1.0
828.49341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.3
67.05506	84.3
69.03431	63.3
69.03983	1.2
69.06721	1.4
69.07071	15.6
71.01350	2.2
71.04999	13.0
71.08630	1.5
73.02915	3.7
75.19633	1.0
79.05494	58.9
81.03421	100.0
81.07059	96.0
81.07435	1.7
83.04987	6.5
83.08620	9.0
84.47579	0.8
85.02419	1.8
85.02908	25.7
85.06545	3.0
87.04475	2.1
91.03947	3.6
91.05480	36.6
93.07047	69.3
94.10081	0.9
95.04976	11.8
95.08607	68.6
96.08944	0.9
97.02893	41.0
97.06547	5.9
97.10155	5.4
98.20703	2.3
99.03828	1.7
99.04461	29.5
99.08093	1.6
101.02403	4.6
103.03938	4.6
103.05487	1.4
105.04550	2.2
105.06514	0.8
105.07034	28.9
107.04981	2.4
107.08595	37.3
109.02136	1.4
109.02881	31.3
109.06520	2.9
109.10157	35.8
111.04447	6.4
111.08104	2.8
113.02375	1.1
113.06027	1.0
113.09706	1.0
115.03929	1.8
115.05441	1.4
117.05453	1.1
117.07024	15.1
119.04915	1.1
119.08582	23.9
121.06492	2.6
121.10149	36.5
122.80138	0.9
123.04424	2.4
123.08062	2.7
123.11702	17.3
125.09643	1.8
127.03918	70.8
128.06213	1.4
129.05463	3.5
129.07011	3.8
130.07837	0.9
131.04904	1.3
131.08566	24.7
133.06522	2.1
133.10144	17.7
135.04436	1.0
135.08067	1.8
135.11691	27.2
137.05981	5.8
137.09621	2.6
137.13229	5.3
139.03920	2.3
139.11125	0.9
142.07764	1.2
143.08601	3.5
145.04942	5.7
145.06491	1.4
145.10124	18.5
147.08015	1.2
147.11690	14.0
149.05959	1.3
149.09613	2.1
149.13258	18.3
151.03831	1.3
151.07526	2.0
151.11203	2.2
151.14801	2.0
153.05412	1.1
153.12764	1.6
155.03464	0.8
155.08525	2.1
157.10152	3.1
159.06650	0.9
159.08080	1.3
159.11714	15.7
161.06007	1.5
161.09607	1.4
161.13229	13.0
163.11195	2.4
163.14816	8.8
164.06642	0.9
165.05362	0.9
165.09068	1.2
165.12744	3.0
167.07060	1.4
167.14270	1.0
169.10144	2.1
171.08044	1.2
171.11722	3.7
173.04469	48.2
173.09685	1.0
173.13252	17.7
175.11212	1.2
175.14819	5.4
177.05389	1.2
177.12709	1.5
177.16400	3.8
181.10143	1.4
183.06523	3.0
183.11681	2.3
185.13190	2.4
187.11276	1.1
187.14835	9.2
189.12672	1.2
189.16475	1.0
191.05502	1.2
191.14421	1.8
195.13823	1.1
197.13271	2.5
199.11208	1.0
199.14874	2.0
201.07504	1.0
201.16388	2.5
205.15886	1.1
206.64488	1.1
209.15276	1.0
215.17894	0.9
219.17357	1.4
223.16968	1.4
233.22771	2.2
241.19536	2.7
243.21104	18.5
253.07150	1.9
259.20636	3.1
261.22144	61.7
271.08026	1.8
271.20609	1.1
273.21991	1.4
275.20010	1.2
277.21704	2.7
279.23337	5.6
285.22141	1.0
287.16827	1.0
289.21677	4.1
301.21539	1.7
303.23209	2.9
313.21786	1.2
317.24759	1.0
327.23083	1.7
335.25806	53.0
341.24783	2.9
347.37814	0.9
351.23160	3.7
353.26880	7.4
363.20700	1.3
363.25299	23.8
369.24377	5.5
377.26926	1.2
387.25195	4.0
405.26382	7.9
423.27179	1.1
443.27670	1.8
461.28882	1.7
479.30124	2.2
531.30481	1.0
549.30896	1.3
571.41858	1.0
595.47522	1.3
607.23804	1.0
728.02209	1.0
863.74091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.3
67.05497	5.9
69.03422	4.9
70.85732	2.7
70.86083	3.0
71.04977	1.4
79.05477	4.2
80.05006	3.2
81.03423	10.5
81.05766	2.0
82.06585	3.2
85.02883	4.9
87.04475	2.0
91.05470	6.3
93.07039	11.8
94.06561	22.2
95.04967	4.5
95.07339	13.3
95.08643	1.9
96.08131	25.7
97.02881	3.5
103.05487	2.8
106.06562	3.1
107.07278	2.0
108.04471	9.1
108.08115	45.3
109.02863	5.5
109.24487	1.4
110.09686	49.6
115.85603	1.4
120.04438	2.2
120.08111	40.1
121.06522	1.9
122.06041	21.7
122.09667	6.6
123.06800	1.7
124.07545	2.4
127.03908	4.4
132.04451	3.9
134.05971	5.9
136.07584	25.5
138.09138	70.5
146.06007	4.8
146.09595	2.1
148.07562	19.3
150.09154	10.3
152.07036	6.3
158.09613	2.4
160.03960	19.9
160.07562	3.0
161.43575	1.4
162.05457	2.0
164.07050	4.9
166.08641	57.3
172.03880	3.0
172.07562	2.0
174.05528	3.6
174.09128	3.9
176.06978	1.8
178.04878	3.0
180.06572	1.8
180.10100	1.5
184.07468	1.7
184.11230	1.6
186.09174	2.8
190.04950	3.6
192.06555	4.3
194.08171	1.7
197.10783	2.3
197.49583	1.5
198.11548	1.7
199.08688	4.7
200.06976	2.6
200.10741	2.7
201.10255	1.7
202.08609	2.3
204.06577	5.0
204.10229	2.8
206.08195	1.5
208.09779	1.9
210.11475	2.6
211.08665	6.4
211.12262	6.6
212.09384	3.6
213.06567	1.6
213.10153	9.9
214.08685	2.1
216.10130	3.0
220.09773	1.5
221.10782	1.4
222.11424	2.9
223.08606	10.0
223.12270	5.3
224.09399	4.3
224.12914	2.2
225.10211	32.9
225.13829	4.5
226.10983	17.4
227.08183	2.3
227.11743	17.6
229.09756	1.5
229.13362	2.8
232.09676	2.3
234.11308	2.8
235.08588	6.6
235.12285	3.6
236.09445	3.2
237.10252	22.5
237.13884	6.6
238.10971	15.7
239.08203	17.8
239.11790	69.7
240.12544	16.8
241.09746	3.3
241.13344	5.8
244.09712	5.3
246.11264	2.9
248.09424	5.0
248.13026	2.0
249.10201	13.5
249.14063	1.7
250.10928	15.4
251.08089	8.2
251.11784	62.8
252.06628	2.0
252.09019	5.4
252.12505	14.3
253.09712	25.8
253.13347	54.9
254.10481	22.5
254.13979	5.0
255.11298	4.8
260.09192	1.5
263.11823	33.7
264.08917	2.6
264.12518	6.7
265.09747	20.8
265.13342	54.2
266.10471	18.6
266.14035	7.0
267.11307	38.8
267.14792	5.7
268.12048	7.8
269.12878	4.2
271.10849	8.1
271.13535	1.6
275.11731	2.8
276.12555	1.7
277.09985	7.5
277.13364	6.0
278.10400	10.3
279.11264	36.3
280.12152	8.9
281.12851	72.3
282.13409	2.5
283.10782	13.8
283.14371	6.6
284.11533	4.9
285.12354	32.2
286.13104	6.7
289.13181	2.4
291.11334	16.1
292.11957	4.5
293.09253	3.6
293.12836	36.8
294.13568	3.9
295.10730	7.2
295.14362	11.4
296.11490	5.1
297.12381	18.8
298.13077	6.6
299.13931	28.6
301.13083	2.4
303.11212	3.4
305.09332	2.2
305.12793	2.9
307.10797	7.5
309.12350	64.6
310.12955	6.6
311.13895	36.1
313.11942	3.2
313.15479	8.9
314.12717	2.5
317.12524	3.3
319.10638	6.2
320.11502	1.9
321.12320	17.9
321.15662	2.4
323.10446	2.2
323.13788	7.1
325.11783	7.6
325.15396	3.8
326.12527	2.7
327.13394	48.1
328.14526	2.3
330.16171	2.7
333.12085	1.8
335.13907	2.9
337.11713	7.2
338.12659	3.1
339.13446	14.6
340.14240	3.0
341.14951	66.2
342.15781	4.2
343.13199	1.8
344.13968	2.9
347.14023	2.4
351.13330	6.7
352.14084	1.6
353.11118	1.9
353.15024	17.0
355.16541	2.3
356.13943	2.6
357.14600	10.7
358.15363	4.1
359.15915	6.3
365.15121	2.0
367.12698	2.5
368.13672	2.4
369.14459	35.4
370.15170	4.6
371.16052	21.6
372.16974	3.0
379.12781	1.9
381.14444	4.1
382.14975	2.2
383.15976	4.3
384.17007	3.0
386.18628	3.8
393.14392	3.3
395.15961	1.8
396.17209	1.6
398.18839	1.7
399.15442	4.4
400.16687	3.3
401.17105	4.9
402.18011	2.8
403.12845	2.9
405.14484	1.9
407.15805	5.6
409.17691	4.3
411.10818	1.7
411.15582	20.3
412.16263	2.8
413.17072	12.8
414.18176	8.5
416.19458	4.9
417.13937	1.5
418.17358	2.5
419.17648	2.1
420.19019	4.3
423.15262	2.2
425.17117	16.7
427.18539	2.2
429.16614	18.1
430.17474	4.3
431.18246	2.2
432.19037	7.9
434.20886	2.8
435.15543	17.3
437.17047	8.4
439.14352	2.4
440.15701	2.4
441.16406	7.4
442.17560	3.0
443.18170	21.2
444.19376	2.2
446.21088	2.5
447.15796	2.3
448.18774	4.8
451.15063	2.8
453.16544	54.6
454.17010	2.8
455.18011	10.3
456.19220	1.6
460.18466	7.5
462.19968	7.4
465.16705	9.9
467.18039	4.6
469.16138	1.8
471.17593	45.6
473.19064	5.8
474.20248	12.6
479.18265	2.8
480.20993	4.5
481.16028	6.4
483.17773	10.6
484.18207	2.2
485.19421	11.0
486.19382	2.0
490.19598	3.5
492.21136	17.4
495.17554	3.3
497.19031	11.6
498.20313	2.9
501.18298	2.4
502.19318	3.1
503.20068	8.6
506.22711	3.7
507.23178	2.0
512.22205	1.9
513.18640	15.4
514.19128	3.9
515.20239	22.8
516.20959	2.5
522.22345	14.4
528.21405	2.6
534.22296	11.9
542.22498	2.5
546.21906	1.8
556.20728	7.6
558.22162	3.2
560.23114	2.5
562.21832	3.6
564.23621	2.1
568.20587	3.7
570.22150	4.0
572.23645	2.4
574.21844	10.8
575.21844	4.9
576.23145	2.2
582.23047	3.1
586.21814	11.7
588.14893	2.5
588.23474	30.8
592.22882	14.4
594.24384	41.8
595.25232	3.0
596.25690	3.0
600.23511	24.9
601.23602	1.7
603.25592	3.3
604.22797	12.1
606.24451	59.1
607.24896	2.7
613.26135	2.6
618.24457	50.2
620.24597	1.9
621.25812	2.1
624.25519	99.3
625.25653	3.0
627.28015	4.0
631.25037	5.5
632.26013	11.0
635.24274	5.1
636.25531	100.0
637.25488	6.2
650.26868	3.7
664.24719	10.2
667.27051	4.3
668.27161	3.9
669.28986	2.2
675.27472	5.6
677.28864	2.1
687.29626	6.5
693.28925	11.4
696.27136	4.0
703.27130	5.2
707.30743	33.3
708.28119	3.1
711.29584	4.9
714.28632	8.8
721.28656	31.1
725.31818	82.7
726.28918	14.7
735.29749	11.3
739.29755	16.5
740.29144	2.5
743.32788	26.2
753.31299	82.5
754.30988	4.5
757.30695	10.4
758.31323	15.4
761.33453	5.4
768.29584	5.7
771.32367	28.5
789.33594	21.9
861.34796	3.5
879.35736	2.6
893.38318	2.7
907.45013	1.7
919.97479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.6
67.05499	8.0
68.89752	1.8
69.03426	5.4
71.05004	2.6
71.13652	4.2
79.05487	6.4
80.05022	4.7
81.03415	10.7
81.07041	2.5
82.06572	3.1
83.04971	3.3
85.02895	5.7
85.06544	2.9
91.05472	8.5
93.05797	2.2
93.07055	15.6
94.06570	20.0
95.04965	7.4
95.07376	11.4
95.08596	4.2
96.08131	24.6
97.02894	6.9
97.06509	4.1
103.05441	2.0
106.06557	3.1
107.04931	2.4
107.07317	2.2
108.04481	7.5
108.07423	3.0
108.08116	41.2
109.02885	8.5
109.10185	2.0
110.09682	43.0
120.04438	2.3
120.08110	39.0
122.06036	22.8
122.09651	7.2
127.03896	5.3
131.04868	1.9
132.04480	4.0
132.08110	2.8
134.05974	4.7
136.07579	25.3
137.05978	3.9
138.09134	72.9
144.08061	2.1
146.06013	5.8
148.07570	17.1
150.05499	2.5
150.09137	9.8
152.07077	7.7
160.03926	19.9
160.07635	3.3
162.05536	4.1
162.09065	2.3
164.07074	6.3
166.08646	48.8
172.03952	5.3
174.05441	3.7
174.09175	3.5
176.07091	2.6
177.05457	3.9
177.07837	2.6
178.04953	3.4
186.09218	4.1
188.10745	2.3
190.05031	3.2
190.08659	3.8
192.06551	3.3
192.10190	2.3
197.10870	4.0
198.09247	3.0
199.08629	3.5
202.04822	2.0
204.06610	5.0
208.64459	1.8
211.08694	8.3
211.12296	5.2
212.09441	5.7
212.12880	1.9
213.10214	8.7
216.10147	5.4
222.11473	3.0
223.08725	11.3
223.12335	3.7
224.09303	2.8
224.13127	3.1
225.06682	2.7
225.10243	37.8
225.13768	4.1
226.10925	16.9
227.08138	3.3
227.11809	15.7
229.13631	2.6
234.11325	2.5
235.08701	5.5
235.12347	4.7
236.09351	4.2
236.13144	2.3
237.10240	23.5
237.13832	4.8
238.10957	16.1
239.08177	14.4
239.11794	61.2
240.12549	15.6
241.09779	3.8
241.13353	7.0
243.11296	2.5
244.09689	4.1
246.11215	3.1
248.09486	3.9
249.10249	12.6
250.10982	14.8
251.08185	8.3
251.11790	63.4
251.14409	3.1
252.08983	3.6
252.12488	12.3
253.09731	23.0
253.13361	53.0
254.10481	19.1
254.14023	3.9
255.11197	5.0
260.09097	3.8
262.10941	3.0
263.11789	31.3
264.08939	5.8
264.12543	9.1
265.09735	23.6
265.13367	48.1
266.10501	14.1
266.14081	7.9
267.11313	38.7
267.14688	3.3
268.12064	9.0
269.12610	5.3
271.10794	6.0
275.07043	2.9
275.11719	3.6
276.12741	2.7
277.09744	7.7
277.13370	7.0
278.10367	10.2
279.11246	36.2
280.12207	9.3
281.09689	2.4
281.12839	70.8
282.13504	2.4
283.10733	11.8
283.14417	6.0
284.11432	3.5
285.12323	29.8
286.13116	5.6
291.11261	16.4
291.14276	3.1
292.11978	6.0
293.09561	3.8
293.12851	35.5
294.13510	3.1
295.10663	6.0
295.14398	10.5
296.11584	6.1
297.12381	20.3
298.13095	7.7
299.13864	26.7
305.09268	2.5
305.12683	2.7
307.10764	8.1
307.14008	2.6
309.12350	65.1
310.12927	7.5
311.10602	1.7
311.13898	36.1
312.14478	5.0
313.11990	2.2
313.15546	7.5
319.10818	5.8
320.11581	2.4
321.12299	17.2
323.13861	5.6
325.11710	6.0
326.12735	3.5
327.13391	40.2
328.14230	2.9
330.16107	3.4
331.14029	2.7
335.13708	2.3
337.11734	6.9
338.12473	2.6
339.13449	16.4
341.14987	68.3
351.13354	6.5
353.14932	19.5
357.14551	5.1
358.15463	5.1
359.16028	6.1
360.16641	2.5
369.14453	33.1
370.15332	4.3
371.16144	21.7
372.17163	5.5
374.19131	2.9
379.12265	2.4
381.14447	3.7
382.15225	2.3
383.15826	4.6
386.18939	3.4
389.14853	2.4
398.14740	3.0
399.15347	5.2
400.16226	3.5
401.17090	4.2
405.14731	2.5
407.15952	6.7
411.15540	18.5
412.16364	3.8
413.16919	14.4
414.18161	4.6
416.19778	4.1
417.14383	3.4
418.17691	2.4
419.16434	3.0
420.19202	2.4
423.15479	4.0
424.16220	3.5
425.17297	13.2
429.16605	19.8
430.17819	4.2
432.19272	3.4
435.15506	13.3
437.16931	5.5
441.16559	9.5
442.17303	5.0
443.18222	19.2
451.15076	2.9
453.16522	43.6
455.17978	10.7
459.17422	2.2
460.18625	6.6
462.20148	8.1
463.14487	2.5
465.16513	10.0
466.17538	2.5
467.17996	6.4
471.17572	42.4
473.19055	8.3
474.20477	13.3
479.18237	4.0
480.21326	4.3
481.16028	5.5
483.17490	7.6
485.19342	9.5
492.21262	15.1
495.17285	3.4
497.19119	10.1
498.19876	4.0
499.17459	2.8
501.18881	2.5
502.19498	2.8
503.20151	6.9
506.22568	6.1
513.18671	15.8
515.20233	25.3
522.22308	17.4
533.21167	2.6
534.22217	19.4
540.21191	3.3
542.22705	2.7
556.20483	7.3
560.23749	2.4
562.21600	5.3
568.20837	3.0
573.24384	4.1
574.21918	9.5
576.23535	3.2
578.24109	2.6
586.21521	13.0
588.23407	31.3
592.22791	15.6
594.24457	57.1
595.24927	4.5
600.23505	25.6
603.25311	5.5
604.22827	12.7
606.24438	52.2
613.26727	3.4
618.24493	46.7
622.23737	2.6
624.25482	100.0
625.25739	4.1
627.28442	3.0
631.24847	6.6
632.25854	9.8
634.24005	2.2
636.25525	89.1
637.26013	2.9
650.26617	6.6
654.26251	4.7
664.24799	11.8
667.27509	4.8
668.28040	4.5
675.27991	4.8
677.29504	3.0
687.29803	6.5
693.29559	12.9
703.27118	7.8
707.30743	36.2
711.29395	6.0
712.30725	5.4
721.28705	40.4
724.30237	7.3
725.31799	91.8
726.31824	3.2
729.30756	3.3
735.30505	13.0
738.31915	2.5
739.29901	18.7
743.32477	29.2
744.33057	3.1
753.17871	3.9
753.31213	77.2
754.30957	4.2
756.32941	8.1
757.31116	11.4
761.33362	7.0
771.32391	26.1
789.33539	21.0
859.36926	2.7
865.46368	3.2
909.49017	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	907.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.6
67.14168	0.3
69.03417	3.6
69.07061	0.4
71.01371	0.4
71.05005	0.5
71.60448	0.3
73.02914	2.9
79.05505	2.1
79.83819	0.3
81.03415	1.6
81.07051	3.3
83.04982	0.4
83.08609	0.5
85.02907	5.1
91.03964	3.1
91.05492	1.1
93.07037	3.2
95.04979	0.4
95.08611	2.5
97.02885	5.2
99.04471	0.9
101.02393	1.6
105.07043	0.9
107.08601	1.2
109.02900	0.5
109.10211	0.8
115.03973	0.3
117.07009	0.4
119.08583	0.8
121.10155	0.9
127.03951	1.3
131.08580	0.6
133.10165	0.5
135.11703	1.9
140.24493	0.3
145.04951	0.4
145.10147	0.9
145.39996	0.4
157.71864	0.3
161.13451	0.3
163.11221	1.2
181.12285	0.8
184.07361	0.4
185.04224	0.6
203.05295	0.5
227.12823	1.3
243.08429	1.5
249.11000	7.4
305.13681	0.8
335.25882	0.6
347.09531	1.7
351.72775	0.3
351.89124	0.3
363.09262	0.5
365.10623	0.7
400.30502	0.3
405.13644	5.5
405.18378	0.3
467.18903	4.6
519.29309	7.5
520.29926	0.6
607.49615	0.3
629.24146	3.1
681.34497	8.9
682.35144	0.5
745.41058	2.1
863.30823	0.3
907.46570	100.0
908.46869	3.8
912.96985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.8
67.05501	2.0
69.03436	0.7
69.07087	0.8
69.95900	2.0
69.96309	0.9
73.02954	0.6
78.04696	0.8
79.05497	4.5
80.57104	0.6
81.03414	1.3
81.07056	1.7
83.04994	0.7
85.02920	0.6
87.03763	0.5
91.03957	0.6
91.05482	4.4
93.07051	1.7
94.04179	1.9
95.04969	2.2
95.08625	0.7
98.20792	0.7
102.04697	0.8
103.05472	10.0
105.07059	3.0
107.04950	12.0
107.08563	0.6
109.06517	0.6
109.10235	0.8
115.05450	9.8
117.07015	22.6
119.08555	1.5
122.03623	3.7
123.04440	3.7
124.05201	3.2
125.05990	1.4
127.05429	0.8
128.06218	1.0
129.07013	7.2
130.04100	0.9
131.04932	18.5
131.08557	2.9
133.06509	2.8
135.04379	0.7
137.05977	74.1
138.06343	0.7
143.04938	0.9
144.05698	1.2
145.06482	44.0
147.04425	0.9
147.08101	2.6
148.07344	0.5
149.09752	0.6
151.03897	1.4
151.07480	1.0
152.04657	1.4
153.05472	0.7
155.06018	5.5
155.07011	0.7
156.05714	0.9
157.06502	10.6
158.07158	0.6
159.08051	3.4
161.05968	3.9
163.07545	28.1
165.05504	0.7
165.09154	1.4
166.08630	0.8
167.07042	100.0
168.07428	2.1
173.05986	53.8
174.06723	3.3
175.07607	2.6
176.04700	0.9
177.05467	1.0
177.09084	6.4
178.07712	0.7
179.08514	0.7
181.06583	1.1
181.08542	1.0
183.08124	1.1
184.07335	0.7
187.07532	2.0
188.08284	0.6
189.09116	38.7
190.06252	2.2
191.07054	3.0
191.08801	1.1
191.10663	9.4
193.08617	8.3
195.08006	0.8
203.07079	0.7
203.10684	0.9
205.08601	43.2
206.07269	0.8
207.08061	2.8
207.10172	4.3
211.07533	1.1
214.08647	1.5
217.08594	4.8
219.08099	0.9
223.07533	0.8
224.08290	0.7
231.07927	0.8
233.05855	0.7
234.06802	1.1
235.07541	3.1
237.09146	1.4
239.10597	0.7
243.10121	4.6
247.07594	0.9
249.09219	1.1
251.06926	1.0
257.11691	1.3
263.07001	2.0
265.08505	1.0
267.10211	3.5
276.07669	0.8
277.08627	1.9
281.08148	0.6
282.08804	0.9
290.09210	0.7
293.08200	1.1
294.08856	0.6
295.09689	1.6
297.07520	0.7
297.11084	1.1
304.07358	0.7
307.09686	0.7
308.10315	1.4
313.10718	0.6
322.08401	1.0
323.09155	1.7
325.10559	0.8
327.12244	2.8
331.11951	0.8
333.11176	2.1
337.10693	4.7
339.12204	0.7
343.11783	3.4
344.12704	0.7
347.12729	0.7
357.13412	1.7
359.14890	66.7
360.14993	1.3
361.14337	0.8
365.13730	0.7
367.15442	0.7
369.13309	26.3
371.14813	1.3
379.15350	0.7
393.16916	4.6
397.16537	1.7
411.18207	0.9
423.18060	1.3
483.18451	1.3
515.20544	6.3
547.23254	8.5
607.25568	10.0
728.43091	1.8
890.48944	2.6
908.47748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	3.7
65.80399	3.5
67.05499	12.8
69.03414	6.9
70.12962	3.2
71.59106	4.2
72.85367	3.8
74.95764	3.9
79.05489	9.2
80.05015	3.8
81.03430	25.8
81.07042	9.1
85.02909	12.1
88.53105	3.4
91.05484	18.3
93.07062	23.7
94.06557	25.2
95.04960	10.8
95.07343	20.1
95.08613	4.0
96.08121	40.4
97.02847	7.3
97.06520	4.0
101.06013	4.6
103.05494	3.7
105.07021	6.4
106.06589	3.9
107.07346	6.1
107.08600	4.7
108.04454	6.2
108.08123	54.5
109.02872	10.5
110.08921	5.2
110.09677	64.1
117.03309	4.1
119.04948	3.4
119.08611	5.5
120.04402	5.8
120.08107	51.5
122.06020	31.7
122.09674	5.6
127.03902	10.6
128.98726	3.9
132.04390	5.8
134.06012	9.0
135.04358	5.8
136.07585	36.9
137.05972	6.9
138.09142	85.9
145.02850	16.1
146.04417	3.7
146.05988	7.0
148.07524	24.5
150.05496	4.3
150.09126	11.0
151.03940	5.9
152.07069	7.7
160.03912	24.0
160.07597	4.5
162.05550	4.1
164.07062	8.8
166.08624	69.1
167.06966	5.0
172.03917	11.1
174.05516	7.7
174.09143	6.9
176.07014	5.3
177.05486	24.2
180.06471	4.3
184.07562	4.3
186.09196	4.3
190.04990	5.8
204.06564	11.4
206.07951	3.8
211.08641	9.1
211.12144	8.9
212.09378	4.3
213.10199	13.4
214.08702	3.7
216.10127	5.3
222.11201	4.4
223.08673	8.4
223.12143	4.4
224.09277	4.3
225.10229	49.6
226.10896	20.8
227.11771	24.4
235.08655	5.1
236.09177	4.7
237.10352	28.5
237.13910	11.4
238.11002	19.4
239.08179	19.7
239.11789	73.1
240.12482	19.6
241.09789	4.9
241.13408	7.6
244.09735	9.2
246.11267	6.6
249.10228	21.5
250.10881	24.1
251.08208	9.5
251.11792	69.0
252.08752	8.6
252.12517	20.2
253.09697	36.9
253.13364	54.0
254.10477	25.8
254.13974	8.0
255.11195	5.0
262.10754	4.9
263.09116	5.9
263.11768	38.6
264.08951	6.4
264.12573	8.5
265.07245	4.9
265.09814	19.4
265.13342	69.9
266.10526	16.9
266.14032	9.5
267.11279	54.3
267.14819	11.1
268.11890	12.1
269.12662	9.7
271.10748	6.8
275.07254	3.9
277.09796	11.4
277.13275	8.1
278.10583	11.9
279.11264	48.1
280.11960	10.9
281.12866	81.5
282.13507	9.1
283.10828	19.5
283.14230	7.1
284.11578	7.3
285.12369	31.4
286.13089	8.8
287.14066	5.2
291.11261	13.2
292.11765	5.0
293.09479	7.1
293.12796	40.3
294.13489	7.3
295.11096	9.5
295.14429	15.3
296.11398	5.9
297.12277	20.1
298.12997	13.3
299.13812	29.0
303.11157	4.8
307.10645	10.7
309.12354	66.7
310.13028	9.3
311.13907	46.3
312.14441	6.2
313.15460	10.4
319.10660	6.8
321.12418	15.4
323.13989	7.9
325.11810	9.6
326.12573	4.2
327.13419	50.1
337.11533	6.1
339.13370	16.5
341.15018	72.5
342.15509	5.9
353.14877	15.3
357.14523	8.7
359.16226	6.7
369.14429	37.1
370.15140	6.5
371.16129	23.0
372.16913	6.2
379.12466	5.5
381.14603	8.4
383.16226	4.5
386.18863	6.9
395.15662	4.9
398.14789	5.7
399.15463	4.5
400.16458	5.7
407.15970	4.4
411.15494	22.1
412.16370	8.6
413.17001	14.4
414.17963	8.5
416.19772	7.4
418.17712	4.8
425.17084	20.4
426.18091	5.8
429.16812	20.5
430.17532	7.4
432.19028	11.5
435.15378	17.5
437.16916	10.4
442.17523	5.8
443.17926	19.0
446.20621	5.6
447.15256	4.6
453.16589	64.3
454.16928	6.9
455.18036	12.3
460.18661	7.7
462.20163	11.5
465.16550	13.2
467.18036	6.7
471.17728	38.5
473.18924	11.0
474.19742	13.4
474.68588	4.7
481.15659	5.1
483.17392	8.7
485.19098	11.4
492.21176	19.8
497.19019	9.9
498.20493	4.7
501.18509	4.7
503.20151	8.0
506.22873	10.4
513.18701	17.3
515.20355	27.8
516.21191	4.2
522.22296	24.9
534.22101	22.2
536.22937	4.5
556.20996	8.0
558.21570	4.7
562.22253	5.1
572.24158	5.8
574.22351	20.2
586.21710	14.3
588.23236	36.3
592.22375	20.0
594.24683	40.8
595.25183	9.0
596.25342	6.0
600.23535	34.5
603.25171	7.0
604.22888	15.3
606.24487	84.3
607.24609	6.7
618.24469	63.7
619.24817	4.6
621.74915	4.9
624.15869	7.0
624.25519	98.4
625.25574	14.0
627.27832	5.9
631.24921	12.4
632.26056	11.9
633.26691	9.3
636.25555	100.0
637.26025	9.1
650.27106	6.5
664.24615	12.0
667.27124	8.0
668.28564	6.8
675.27740	6.3
687.29871	7.1
693.28656	14.9
703.26709	7.1
707.30603	30.5
721.29108	40.3
725.31842	96.3
726.31689	11.4
735.29486	16.0
736.30627	6.8
739.29767	21.1
743.32642	28.3
744.32117	5.2
753.31305	83.6
754.31665	26.8
757.30005	10.7
761.32971	7.5
771.32202	32.5
789.33038	18.1
790.34045	5.5
803.36334	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	906.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24391	0.2
65.03947	0.3
67.05495	0.3
69.03426	0.4
71.04993	4.6
71.58784	0.4
73.02933	0.4
80.05017	0.7
81.03403	0.7
82.93591	0.2
83.04966	0.8
85.02906	6.8
91.05493	0.3
95.04995	0.3
97.02888	0.5
99.04459	0.2
108.04445	0.4
109.02891	0.5
111.04447	0.9
117.63582	0.2
120.03593	0.2
120.04422	0.4
121.02895	0.7
122.06021	0.3
127.03926	1.0
128.00572	0.2
129.05522	1.8
132.04495	0.3
135.84708	0.2
137.02347	19.4
137.03384	1.1
146.06006	0.4
147.04492	0.3
147.06514	0.8
149.02342	0.6
150.05481	0.4
151.03888	0.3
152.07063	0.2
153.01993	0.3
163.03908	0.8
165.01921	0.3
174.05510	0.8
179.99086	0.2
185.05995	0.3
187.03911	0.8
188.07076	0.3
199.03888	0.5
200.04819	0.3
200.07008	0.3
201.05479	0.8
211.03879	2.8
212.07071	0.3
213.07701	0.2
215.03339	1.9
217.04900	0.3
227.03423	1.0
228.06615	0.4
231.02913	0.2
235.07741	0.2
239.03416	0.4
239.09334	0.2
240.06598	0.6
241.04984	0.4
242.04510	0.6
243.02904	0.3
255.02907	0.6
256.06137	0.8
263.07013	0.6
266.04764	0.4
270.07687	0.4
275.06848	0.3
281.08011	0.5
283.06018	0.3
284.05569	1.0
291.06451	0.4
293.08142	0.4
303.06042	0.5
307.05890	0.3
309.07651	0.7
309.12012	0.3
311.05469	0.4
315.05081	0.7
319.06146	0.5
321.07565	0.4
323.05588	0.4
325.07013	0.8
327.05032	0.3
329.03052	0.3
331.05948	0.7
332.09317	0.3
336.08603	0.9
337.06940	1.6
339.05075	1.3
347.05649	0.3
349.07068	1.4
350.10428	0.4
353.06558	2.9
360.08524	0.5
363.04956	2.8
364.08270	1.3
365.06564	20.0
366.06720	1.2
367.08224	0.3
376.05923	0.3
377.06564	24.5
378.06702	1.4
378.10236	0.9
379.08475	1.3
380.07663	0.9
381.05948	0.9
388.07941	0.4
389.06387	1.9
390.03186	0.3
391.07370	1.8
392.07864	1.9
393.06165	0.9
404.07858	1.1
405.05893	4.7
406.09277	21.1
407.08340	0.7
409.05554	3.0
416.07480	1.1
419.06366	1.4
423.07059	0.8
424.10303	0.6
434.08716	100.0
435.09048	3.5
436.10315	0.4
448.10391	1.3
452.09778	28.5
453.10382	0.8
476.09760	1.8
490.11444	0.5
518.10590	1.9
536.23975	0.2
544.12445	0.5
552.14984	0.5
562.13275	1.1
578.12292	0.4
580.14423	4.5
596.13965	8.3
598.15887	0.3
614.15033	5.3
680.16144	0.7
724.18732	0.7
742.19733	11.3
743.20361	0.4
760.20764	4.0
784.20197	0.6
888.25653	3.7
906.26617	5.3
907.26624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28830	3.0
67.05491	14.7
69.03419	7.7
69.36188	4.0
69.36932	34.2
70.06583	3.8
71.04964	5.8
71.17371	3.2
73.02892	3.6
79.05488	13.2
80.05011	4.2
81.03429	24.1
81.07048	4.2
83.04969	4.1
85.02899	14.8
91.05460	9.4
93.07054	17.7
94.06570	20.2
94.07085	3.7
95.04958	5.5
95.07323	14.4
95.08581	5.6
96.08130	35.2
97.02879	11.7
97.06516	6.8
99.04439	7.4
103.05434	8.7
105.07033	7.2
107.04922	4.1
107.07316	3.9
108.04459	11.1
108.08109	46.4
109.02848	15.2
110.09680	62.4
117.03334	3.7
118.06525	3.7
119.08557	4.7
120.08114	40.7
121.06491	5.0
121.10201	4.7
122.06026	27.2
122.09666	7.9
123.04397	3.8
125.90420	3.6
127.03918	14.8
129.56764	3.8
131.04942	4.1
132.08052	4.4
133.10091	4.0
134.06027	6.5
136.07578	27.1
137.06012	5.8
138.09134	78.3
145.02827	6.9
146.06018	4.8
147.04425	6.7
148.07571	21.6
150.09109	12.3
152.07143	5.9
160.03981	21.1
160.07600	4.2
163.07605	4.2
164.07053	7.4
165.15186	3.4
166.08636	62.9
167.07001	4.1
174.05516	4.7
176.07072	4.4
177.05481	16.6
180.06465	3.4
186.09128	4.0
192.06622	4.9
199.08656	4.3
204.06570	10.7
204.10315	3.7
208.09821	3.9
211.08662	10.3
211.12288	12.2
213.10204	9.8
216.10104	4.6
223.08658	10.2
223.12334	7.9
225.10274	43.2
225.13722	8.3
226.11072	23.0
227.11781	24.4
229.13342	4.4
235.08621	7.6
235.12206	4.7
236.09462	6.4
237.10196	25.4
237.13860	7.7
238.10979	17.9
239.08086	14.6
239.11778	64.6
240.12515	18.8
241.09641	6.1
241.13344	7.4
243.11337	6.6
244.09752	4.6
248.09589	4.0
249.10255	13.5
250.11050	19.6
251.08131	11.8
251.11774	70.3
252.08926	4.3
252.12663	18.7
253.09747	32.9
253.13354	49.0
254.10480	27.2
254.12842	4.6
255.11310	5.2
263.09244	4.8
263.11823	34.1
264.09628	3.3
264.12421	8.1
265.09756	27.3
265.13348	63.9
266.10535	15.4
266.14038	7.4
267.11258	49.1
267.14618	7.0
268.11951	8.5
269.12878	5.9
271.10651	6.1
275.07117	6.0
275.11856	4.3
277.09821	4.3
277.13339	5.5
278.10428	6.5
279.11249	49.3
280.12012	8.8
281.12802	68.8
282.13467	7.8
283.10754	18.1
283.14270	6.0
284.11560	4.2
285.12311	45.3
286.13113	5.5
291.11313	17.5
292.11972	6.3
293.12817	34.7
294.13275	7.4
295.10825	5.1
295.14383	13.2
297.12259	22.8
298.13080	10.8
299.13962	29.6
307.10858	4.9
309.12277	87.3
309.15717	5.4
310.12979	7.4
311.13864	54.7
312.14453	6.8
313.15427	14.4
319.10632	9.5
321.12219	19.0
325.11795	11.8
325.15314	6.1
326.12399	4.6
327.13364	80.8
337.11780	15.9
338.12820	4.7
339.13437	17.9
341.15030	65.9
351.13297	6.3
353.15009	12.5
357.14438	13.3
358.15466	5.5
359.16101	11.4
369.14474	55.0
371.16025	34.2
372.16956	4.8
383.16040	6.0
401.17053	7.8
402.18173	7.8
407.16470	7.5
411.15417	24.6
413.17117	11.2
414.18372	6.6
416.19724	7.1
423.15509	5.3
425.17084	12.4
429.16559	14.1
430.17450	8.0
432.19278	8.5
435.15433	19.0
437.17117	6.3
441.16541	6.8
442.17389	4.6
443.17963	15.4
448.18600	11.1
453.16464	52.0
454.17676	4.2
455.18060	12.0
460.18600	10.9
462.20425	8.1
463.14725	7.2
465.16525	8.8
467.17786	4.6
471.17627	37.8
473.18817	4.9
474.20184	18.0
480.21213	32.8
481.15875	8.5
483.17712	8.0
485.18979	9.8
492.21255	58.1
497.19315	8.7
502.20532	4.7
503.20047	5.2
506.22430	6.6
513.18188	17.6
515.20441	22.1
522.22382	18.4
533.21747	4.5
534.22076	19.1
556.20776	6.7
574.21686	13.8
586.21570	16.4
588.23505	35.0
592.00928	4.4
592.22571	13.3
594.24487	47.6
595.25104	7.4
600.23499	30.7
604.22900	12.7
606.24548	69.9
613.26752	28.2
618.24493	55.5
624.25507	94.0
627.28577	4.3
629.22797	5.5
631.24744	9.4
632.25427	9.9
636.25568	100.0
645.28986	15.5
654.26263	10.9
664.24457	12.3
668.28021	6.2
675.27637	7.2
693.29034	13.7
703.27283	6.6
704.27130	4.9
707.30560	35.8
711.29944	9.7
721.28528	34.4
722.28223	6.2
725.31873	91.7
734.28162	6.0
735.29486	11.1
739.30341	17.2
740.30157	5.8
743.32953	23.4
752.29590	15.7
753.31311	84.6
757.30170	10.6
771.32404	39.3
789.33130	27.9
905.38849	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2766
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
67.05471	0.2
69.03396	0.6
71.04995	9.0
71.05361	0.3
71.58119	0.4
73.02880	0.6
75.04433	0.8
81.03395	0.4
83.04983	1.9
85.02904	13.0
87.04440	0.4
90.07626	0.2
91.03922	0.5
93.62798	0.2
95.04929	0.5
95.91911	0.2
97.02858	0.8
99.04400	0.4
109.02825	0.4
111.00771	0.3
111.04465	1.6
113.05975	0.2
117.05431	0.2
121.02861	1.4
127.03896	0.8
129.05473	3.6
130.68733	0.2
133.06575	0.2
137.02328	0.4
137.05928	0.6
145.04951	0.4
147.04427	0.2
147.06505	1.3
153.01834	1.4
153.05402	0.4
161.05841	0.2
162.30722	0.2
163.03877	0.4
163.05981	0.7
165.01807	0.8
169.06438	0.2
183.02858	0.3
189.05389	0.2
201.07625	0.2
213.05428	0.6
231.06503	0.4
239.09088	0.4
241.04944	0.5
257.10016	0.2
258.05228	0.5
275.11264	0.3
287.05490	100.0
288.05829	2.3
293.12418	0.2
299.05612	0.3
329.06506	1.5
353.06320	0.5
388.97763	0.2
397.09415	0.4
404.00632	0.2
415.10144	0.3
433.11328	0.8
449.10803	31.3
450.11212	1.0
474.08887	0.2
595.16467	0.8
611.15784	1.2
692.34222	0.2
730.88849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.2
67.05483	0.3
68.99802	0.3
69.03426	2.0
71.01337	0.4
71.04993	12.3
71.58571	0.3
73.02917	1.7
75.04479	1.0
81.03407	0.5
82.86478	0.1
83.01362	0.1
83.04982	5.8
85.02903	18.2
87.04442	0.7
90.94118	0.2
91.03935	0.4
91.05475	0.2
93.03397	0.2
95.04949	1.0
97.02892	1.3
97.06510	0.4
99.04465	1.1
101.06017	0.2
107.04932	0.2
107.08582	0.1
109.02863	0.7
109.06512	0.2
111.00787	0.5
111.03703	0.3
111.04442	4.7
111.05211	0.3
113.05991	0.7
117.05483	0.8
121.02858	0.7
121.06445	0.3
123.04447	0.5
127.03913	1.2
129.05478	5.7
135.04434	0.3
137.02338	2.2
137.03340	0.1
137.05952	0.4
145.04927	0.4
147.06511	2.4
149.02333	0.3
149.05992	0.2
151.07494	0.2
153.01834	2.2
153.05449	1.6
157.04939	0.4
159.04324	0.1
159.06570	0.3
161.05980	0.3
163.03925	0.5
163.06033	1.1
165.01831	1.4
166.02592	0.2
169.04886	0.2
171.06493	0.5
179.03384	0.2
179.06947	0.2
183.02908	0.6
189.07596	0.2
193.08549	0.2
195.06512	0.2
201.05464	0.7
201.07582	0.5
213.05486	0.2
213.07579	0.5
219.02887	0.2
219.06529	0.3
229.04956	3.0
239.09166	2.6
242.58766	0.1
247.05969	0.6
250.14432	0.3
255.08629	0.4
257.04480	1.9
257.10245	1.2
274.04767	0.6
275.11264	1.2
285.03943	1.1
287.05521	2.5
293.12308	1.3
303.04984	100.0
304.05273	1.1
309.12039	0.3
315.04974	0.9
317.06772	0.2
327.04785	0.2
341.06662	0.3
345.06064	2.1
367.08347	0.2
367.13770	0.2
369.06052	1.0
393.59390	0.1
395.07669	0.3
413.08636	0.7
431.09860	0.6
449.10800	3.8
454.88412	0.2
465.10303	2.7
595.16632	0.4
611.16046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.7
67.05505	30.1
69.03434	1.7
69.06722	0.6
69.07070	8.2
70.66276	0.3
70.93313	0.6
71.04994	2.5
73.02898	1.4
77.03941	0.4
79.05493	26.2
81.03418	2.3
81.07056	32.6
83.04987	3.2
83.08624	9.0
85.02916	3.3
85.06527	1.3
85.10162	0.4
91.03968	2.1
91.05481	11.5
93.07045	41.9
94.07371	0.6
95.04965	5.4
95.08606	44.0
96.08934	0.4
97.02889	4.1
97.06522	3.6
97.10165	1.8
99.04458	3.2
99.08083	0.6
101.84035	0.3
103.05463	0.7
105.07027	9.5
107.04960	6.1
107.08594	28.9
108.08887	0.5
109.06522	2.2
109.10157	10.2
111.04460	1.0
111.08070	1.6
113.06025	0.6
113.09673	0.4
117.07022	7.1
119.08578	13.4
121.06497	4.7
121.10144	18.2
123.08076	1.1
123.11719	2.1
125.05987	2.8
127.03910	0.8
129.06934	0.3
130.07780	1.0
131.08572	4.5
133.10135	5.2
135.08119	2.0
135.11693	45.6
136.11995	0.8
137.05977	0.5
137.09619	0.5
137.13220	0.5
139.07573	2.0
139.11166	0.4
143.08540	0.8
145.04926	0.9
145.06494	0.5
145.10123	25.0
147.11708	2.0
149.09557	0.4
149.13260	3.0
153.12753	0.7
156.22432	0.3
159.11697	2.1
161.13237	1.5
163.11185	53.5
163.14836	1.0
164.11502	0.8
165.12808	0.5
173.09610	0.9
173.13261	1.9
175.14851	0.5
177.16309	0.5
180.08522	0.4
181.12234	10.7
183.97151	0.3
187.14836	1.1
193.12212	0.5
209.11684	1.4
213.39783	0.4
227.12782	66.0
228.13129	0.9
233.20622	0.3
243.21030	2.1
257.15363	0.3
261.22159	7.9
283.15399	100.0
284.15768	1.6
302.17542	0.4
317.24841	2.1
329.17401	0.5
335.25797	82.2
336.26202	2.0
346.19763	0.7
451.32388	0.5
469.33273	0.8
543.36816	96.4
544.37085	4.3
561.37671	1.0
650.92706	0.4
676.48175	3.3
681.92938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.5
67.05504	33.2
69.03410	1.9
69.06715	0.7
69.07067	10.0
71.04993	2.3
71.08594	0.9
71.58875	0.6
73.02911	2.2
73.32507	0.4
75.29136	0.5
77.03905	0.5
79.05493	29.3
81.03419	3.7
81.07056	36.6
83.04974	2.9
83.08150	0.5
83.08620	9.0
85.02895	3.3
85.06522	1.2
85.10141	0.5
91.03941	2.0
91.05481	15.2
93.07043	42.1
95.04963	7.4
95.08604	47.6
97.02383	0.5
97.02909	5.1
97.06532	4.7
97.10150	2.1
99.04459	4.4
99.08049	1.2
103.05435	1.0
105.04507	0.5
105.06382	0.7
105.07026	10.3
107.04952	7.2
107.08593	29.0
109.06489	2.0
109.10146	12.9
111.04413	1.4
111.08045	1.5
113.05987	0.5
113.09628	0.5
114.73857	0.4
115.05427	0.6
117.07016	9.3
119.08585	14.3
121.06519	4.7
121.10144	19.6
121.11018	1.2
123.08025	0.9
123.11696	2.7
125.05970	2.8
127.03896	1.0
129.06961	1.2
130.07793	1.0
131.08586	5.0
133.10115	5.6
135.08055	1.6
135.11690	51.0
136.06145	0.4
137.05966	2.0
137.13269	0.7
139.07521	2.0
143.08553	1.1
145.04942	1.0
145.06488	0.8
145.10117	27.4
147.08040	0.6
147.11708	3.2
149.09575	0.9
149.13264	3.6
153.12737	1.4
155.08482	0.7
157.10205	0.6
159.11655	2.1
161.05951	0.6
161.13200	1.8
163.11183	63.2
163.14847	1.7
164.11554	0.6
168.01152	0.6
173.09656	1.0
173.11888	0.5
173.13242	2.1
175.14804	1.2
181.12241	10.6
184.07251	1.0
187.07539	0.5
187.14816	1.3
193.12201	1.0
201.16429	0.5
209.11794	1.6
227.12778	70.8
228.13126	0.6
229.14377	0.7
243.21062	2.2
261.22156	9.3
267.15790	0.5
283.15396	100.0
284.15750	1.5
285.05206	0.5
302.17389	1.0
313.27325	0.7
317.24847	2.7
320.07764	0.5
334.40002	0.5
335.25800	85.1
336.26276	1.2
346.20099	1.8
349.23718	0.6
412.80865	0.5
469.33035	0.5
503.51331	0.5
543.36810	94.4
544.37024	1.9
561.37909	1.7
659.44769	0.6
676.47888	9.2
708.76819	0.5
746.14856	0.6
770.69617	0.6
902.47443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	8.2
69.03436	4.2
69.07063	3.0
71.04998	2.7
79.05483	7.0
80.05026	4.3
81.03401	11.7
81.07069	3.0
82.06580	2.6
85.02906	6.7
85.89301	2.0
87.04439	1.9
91.05492	8.1
93.05801	2.6
93.07045	10.1
94.06572	17.7
95.04974	5.9
95.07329	9.7
95.08614	4.2
96.08125	22.4
97.02890	4.9
97.06538	4.1
99.04433	2.8
105.07029	4.2
106.06542	2.9
107.08601	2.9
108.04500	8.5
108.08115	44.5
109.02882	7.6
110.09680	36.1
113.02396	5.8
118.06517	3.7
119.04944	1.8
119.08577	4.7
120.08106	31.9
122.06034	18.2
122.09686	8.6
123.06795	2.6
124.07545	3.3
127.03931	7.9
132.04462	2.7
132.08032	3.0
134.06030	7.6
136.07579	24.9
137.05986	4.7
138.09137	61.9
147.04384	3.6
148.07579	14.8
150.09171	4.9
152.07092	3.3
157.38306	2.6
158.09607	2.9
159.11658	2.7
160.03967	18.1
160.07603	3.4
162.05441	2.1
163.03889	2.0
164.07018	3.0
166.08653	45.9
167.07172	2.6
172.03937	3.8
172.07547	3.0
174.05502	4.3
174.09155	3.9
176.07054	2.7
177.05489	5.0
178.08522	2.5
180.06511	2.3
184.07361	2.8
186.09174	3.7
188.10699	2.4
190.05118	2.4
192.06691	2.8
194.08163	2.1
197.10683	2.5
198.09184	3.4
199.08696	3.9
202.08604	3.1
204.06659	3.8
210.11461	2.7
211.08698	7.5
211.12323	6.8
212.09427	2.7
213.10262	9.3
214.08664	3.2
216.10194	5.1
221.10791	3.8
223.08713	7.9
223.12325	5.9
224.09315	2.9
225.10257	26.5
225.13805	3.0
226.10905	14.4
227.08282	2.7
227.11746	15.4
232.09691	3.3
235.08713	4.6
235.12421	2.8
236.09494	3.4
237.10231	19.9
237.13873	4.6
238.10954	15.6
239.08177	19.6
239.11792	53.8
240.12526	14.3
241.09656	4.7
241.13379	6.1
244.09720	6.6
246.11212	4.9
248.09360	2.9
249.10191	11.3
250.10974	20.6
251.08189	8.8
251.11807	47.9
252.08974	4.3
252.12524	10.0
253.09749	19.0
253.13368	45.3
253.15967	2.4
254.10489	22.4
254.14159	5.1
255.11324	2.7
263.11823	24.8
264.08841	3.0
264.12595	7.7
265.09772	20.3
265.13370	47.3
266.10553	15.0
266.14044	7.6
267.11304	33.2
267.14597	4.7
268.12085	4.7
269.12891	6.3
271.10779	6.8
275.11847	3.2
277.09756	5.8
277.13379	5.2
278.10474	7.6
279.11252	29.2
280.12070	6.2
281.12854	53.6
282.13699	3.4
283.10800	12.0
283.14151	3.4
284.11575	5.1
285.12405	26.4
286.13080	4.6
290.10498	2.7
291.11356	12.3
292.12051	4.6
293.09470	2.6
293.12802	30.9
294.13550	3.4
295.10843	8.4
295.14481	7.7
296.11829	2.6
297.12320	14.4
298.13199	4.8
299.13892	25.2
305.12708	3.3
307.10800	6.6
309.12329	50.9
310.13220	6.4
311.13876	32.1
312.14609	3.2
313.15552	6.2
314.12982	2.2
319.10822	5.3
321.12393	11.6
323.13873	5.6
324.14621	2.5
325.11725	6.0
326.12665	2.9
327.13339	36.4
328.14459	2.7
329.12091	6.8
335.13943	2.5
337.11914	9.5
338.12430	2.9
339.13446	14.7
340.14236	3.5
341.14990	42.8
344.13992	4.7
351.13431	6.7
352.14056	2.6
353.15103	12.3
356.13782	2.7
357.14523	6.1
358.15704	4.9
359.16171	3.4
369.14514	17.9
370.15494	3.5
371.16058	15.2
372.17099	2.9
380.13806	2.7
381.14673	2.7
383.15762	5.3
393.14093	2.6
400.16479	4.9
403.12811	2.7
407.15906	5.0
411.15540	19.1
413.17108	13.8
414.18231	4.3
416.19931	4.5
418.17862	3.3
419.15955	3.1
420.19412	2.7
423.15509	3.4
425.17020	16.6
429.16733	13.8
430.17487	3.0
432.19180	4.5
435.15573	17.7
437.17059	6.9
441.16565	5.0
442.17249	4.9
443.18097	17.9
446.20596	3.9
447.15811	2.8
448.18613	6.4
451.15094	2.9
453.16553	44.1
455.18274	11.2
460.18619	6.7
462.20172	5.7
465.16660	9.6
467.18326	6.0
471.17651	37.7
473.19333	4.9
474.20166	9.4
479.17908	3.6
480.21066	6.8
481.15918	4.0
483.17697	8.0
485.19183	6.4
492.21289	11.5
495.18213	2.8
497.19067	8.9
501.18790	2.4
503.19974	6.9
506.22891	5.5
512.22003	2.4
513.18646	11.5
515.20209	18.3
522.22357	11.7
534.22382	13.4
540.21051	4.0
544.24707	2.9
556.20361	10.0
558.22284	3.2
560.23651	3.3
562.21863	4.1
568.20734	7.2
572.23633	4.3
574.21564	13.8
577.24573	2.6
582.22540	3.0
585.25153	3.2
586.21692	14.2
588.23480	28.9
592.23004	17.7
593.23523	2.8
594.24524	24.0
595.25464	3.9
600.23419	30.1
603.25854	3.8
604.22400	16.3
606.24445	48.5
618.24396	54.0
624.25586	65.8
627.28314	2.8
631.25018	5.8
632.26166	10.8
636.25531	100.0
650.26770	5.8
652.24316	2.8
664.25000	7.4
675.27808	7.4
677.28564	2.5
687.29706	2.8
693.29285	14.0
695.29834	3.5
703.27118	8.5
704.23981	4.4
707.30902	33.8
711.30432	6.2
716.24445	5.8
720.27026	6.1
721.28650	48.6
725.31830	70.5
735.29846	8.9
739.29266	20.9
743.32550	18.0
748.26465	12.2
753.31287	51.0
757.30713	14.4
771.32440	17.9
789.33002	7.0
851.30450	3.7
901.22223	2.4
901.38318	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	12.9
69.03441	5.5
71.05008	2.6
71.58918	3.5
79.05487	6.6
80.05013	4.0
81.03411	12.6
81.07061	4.2
82.06580	4.7
85.02916	7.5
90.14001	2.6
91.05507	12.7
93.05807	2.8
93.07043	17.8
94.06567	26.8
95.04975	5.6
95.07351	17.3
95.08586	3.4
96.08131	32.8
97.02902	4.3
97.06542	5.5
99.04448	2.1
103.05447	3.5
105.07039	3.4
106.06556	4.0
107.04991	2.9
107.07314	3.8
107.08588	2.5
108.04465	10.8
108.08114	50.8
108.08847	2.6
109.02900	7.4
109.06477	2.6
110.09679	59.6
111.04450	2.6
117.03346	2.3
118.06571	2.6
119.08564	2.9
120.08106	47.7
121.06528	3.7
122.06033	23.0
122.09662	5.0
123.06802	2.8
127.03922	6.8
132.04364	3.6
132.65501	2.5
133.10103	2.3
134.06026	8.2
136.07578	29.5
137.06055	2.8
138.09140	70.7
145.02864	3.6
146.06009	5.8
146.09627	2.6
148.07590	23.1
150.05437	2.8
150.09171	10.1
152.07117	8.5
160.03912	21.8
160.07625	4.7
162.05434	2.2
164.07065	5.0
166.08638	64.1
172.03877	4.3
172.07584	3.9
174.05522	3.1
174.09108	3.0
177.05507	12.3
178.05078	6.0
184.07475	2.7
188.07191	2.5
190.05038	3.0
192.06604	2.4
199.06084	3.0
199.08676	4.3
202.08638	3.0
204.06599	7.1
208.09801	4.0
210.11502	2.6
211.08714	8.6
211.12335	10.0
212.09325	3.3
213.06540	2.8
213.10120	10.9
214.08684	2.7
216.10216	6.0
220.09981	3.2
221.10765	3.4
222.11491	6.8
223.08661	8.8
223.12361	7.3
224.09387	5.4
224.12888	3.1
225.10217	47.0
225.13844	9.6
226.10973	21.0
227.08217	3.2
227.11765	21.4
232.09683	5.2
235.08601	6.0
235.12364	6.2
236.09468	7.3
236.13126	2.8
237.10242	28.7
237.13907	8.4
238.10938	20.9
239.08208	24.3
239.11784	82.6
240.12607	18.9
241.09763	3.7
241.13383	9.1
244.09692	6.4
246.11287	7.3
247.12308	2.8
248.09315	4.9
249.10226	19.4
250.11006	22.0
251.08128	9.7
251.11804	79.0
252.08961	6.3
252.12444	15.4
253.09737	34.7
253.13390	60.7
254.10507	24.2
254.14018	6.5
255.11380	6.9
255.14980	2.8
260.09186	2.7
261.10165	3.7
262.11075	4.8
263.11780	44.9
264.08972	4.4
264.12585	9.3
265.09772	25.5
265.13382	66.0
266.10565	18.8
266.13837	12.2
267.11307	43.7
267.14966	7.8
268.11978	6.5
269.12830	5.0
271.10751	6.7
275.11865	4.3
277.09738	7.4
277.13409	6.6
278.10495	9.3
279.11304	43.9
280.12054	7.8
281.09750	4.0
281.12845	79.2
282.13367	4.4
283.10818	14.8
283.14163	4.6
284.11560	4.1
285.12317	30.8
286.13147	9.3
289.13467	3.4
291.11136	14.3
292.12186	6.7
293.09558	4.0
293.12805	43.9
294.13510	4.1
295.10785	7.2
295.14438	12.5
296.11603	5.5
297.12296	20.8
298.13120	10.3
299.13895	32.4
300.14526	2.8
305.09250	2.7
305.12839	4.2
306.09808	2.5
307.10770	8.3
307.14355	4.2
308.11154	3.1
309.12311	65.1
310.12875	5.3
311.13882	42.0
312.14679	5.0
313.15424	9.0
316.14249	2.8
319.10834	8.3
321.12259	18.2
323.14011	7.6
325.11746	7.4
325.15439	4.9
326.12799	3.2
327.13409	45.4
328.14316	6.1
329.12167	2.4
330.16180	2.7
333.12210	2.7
335.13739	2.7
337.11618	4.3
338.12634	4.9
339.13483	15.0
340.14352	5.4
341.11096	5.0
341.14999	64.9
342.15894	3.6
344.14038	2.5
344.17621	2.7
347.14185	2.9
351.13409	6.2
352.14288	3.4
353.14917	17.7
355.12729	3.2
356.13818	3.0
357.14471	9.4
358.15359	6.5
359.16193	4.2
360.17068	2.4
369.14490	32.1
370.15323	3.0
371.16074	19.0
372.16882	3.6
379.13016	3.0
381.14529	5.3
383.16312	5.1
384.17133	6.2
386.19086	3.4
388.16592	4.9
395.15759	3.0
399.15543	4.8
401.16977	3.9
407.15967	7.9
409.17679	3.6
411.15533	28.7
412.16537	4.9
413.17230	10.6
414.18018	3.0
416.19653	6.3
417.14529	3.0
418.17523	3.3
419.15900	3.1
420.19260	2.9
423.15320	5.0
425.16980	21.4
429.16580	16.6
430.17545	5.4
432.19086	5.6
435.15375	16.4
437.17072	7.6
441.16544	6.7
442.17456	6.4
443.18042	14.9
444.18924	2.7
448.18661	2.3
451.14999	2.8
453.16556	59.2
454.16937	6.6
455.18369	12.5
460.18658	5.6
462.20142	7.3
463.15082	4.1
465.16656	10.5
466.17123	2.8
467.18161	8.1
471.17648	35.3
473.19434	4.2
474.20163	12.6
479.18048	6.3
481.15915	4.1
483.17770	10.2
484.17578	2.5
485.19174	15.7
490.20300	3.0
492.21274	17.9
495.17700	5.0
497.19019	16.9
503.20364	7.7
506.22763	4.0
513.18573	15.4
514.19250	3.2
515.20239	18.7
516.20978	2.8
522.22504	18.6
534.22437	17.2
540.21356	3.9
542.22620	3.4
554.23212	3.5
556.20654	9.7
558.21838	4.9
562.21228	3.6
568.20911	6.4
572.23724	4.9
574.21735	20.3
576.23187	4.3
585.23901	3.8
586.21619	21.1
588.23450	38.3
592.22943	18.5
594.24493	30.9
595.25543	4.3
600.23468	36.6
603.25647	7.5
604.22620	17.7
606.24438	92.7
607.24445	3.2
618.24487	64.3
619.24542	3.7
621.26361	5.5
623.22192	8.4
624.25482	96.2
625.24152	7.6
631.25159	7.7
632.25812	16.5
636.25500	88.9
637.25226	4.8
650.26807	5.0
664.24792	8.9
667.27094	2.6
668.27869	3.4
669.28839	2.6
675.28015	9.3
677.29712	4.2
687.29926	4.3
693.28949	19.7
703.27191	8.2
707.30780	38.6
711.29718	5.7
721.16809	3.6
721.28546	36.0
725.31799	100.0
726.31470	3.5
729.31116	3.0
735.30280	13.5
739.29626	18.1
743.33014	24.1
746.28809	16.8
753.31213	72.8
754.31696	3.2
757.30414	9.2
761.33997	3.3
771.32526	22.8
777.29688	2.9
789.32953	7.2
881.35236	3.7
899.37024	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	895.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	11.7
69.03427	6.6
69.07059	4.3
71.05003	4.0
71.31930	3.1
71.32281	4.1
79.05493	7.6
80.05019	3.4
81.03418	15.6
81.07050	4.8
82.06566	3.0
83.04954	4.8
85.02887	9.7
86.09750	2.5
91.05482	10.2
93.07030	13.1
94.06573	20.5
95.04973	9.6
95.07335	16.2
95.08607	5.2
96.08131	32.9
97.02874	6.6
97.06527	7.4
98.35205	2.2
100.11263	4.6
104.05002	2.4
105.54428	2.5
106.06563	4.5
107.08575	2.2
108.04490	8.8
108.08112	48.2
109.02879	8.8
109.06528	3.1
109.08967	2.8
109.10210	3.2
110.09681	52.8
110.10397	4.8
111.04488	3.7
119.08549	4.3
120.04466	2.5
120.08108	40.8
121.06470	2.7
122.06029	27.0
122.09666	12.7
123.06862	3.2
127.03910	8.2
131.16864	2.9
131.59338	2.5
132.08064	4.3
134.06001	6.1
136.07567	26.1
137.06000	6.8
138.09131	73.5
142.26988	2.3
143.08511	4.7
145.02858	5.3
146.06042	6.9
146.09599	3.5
147.04373	4.6
148.07574	23.6
150.09161	10.3
152.07085	8.7
160.03943	19.7
160.07639	3.1
161.10757	2.8
162.05479	3.6
162.09222	4.1
164.07053	7.3
166.08640	59.7
166.09935	4.4
174.05466	3.8
177.05502	7.3
178.04913	5.4
178.08551	2.5
182.15425	6.4
184.07436	3.0
186.09149	2.7
190.05096	3.9
192.06586	2.8
194.08174	2.7
198.14862	3.0
199.08682	5.3
200.10916	4.0
202.05089	3.0
204.06482	5.9
209.10757	2.7
209.16470	3.7
210.14899	8.3
211.08696	7.9
211.12317	9.8
212.09464	6.6
213.06613	4.9
213.10246	11.7
214.08598	4.7
216.10204	7.2
223.08694	10.6
223.12325	7.2
224.09323	3.0
225.06612	3.5
225.10231	38.6
225.13803	3.8
226.11008	19.0
227.11717	17.6
235.08583	7.2
235.12288	3.7
236.09239	3.2
237.10249	27.4
237.13950	8.9
238.10933	19.6
239.08154	22.2
239.11765	76.5
240.12560	19.3
241.13327	8.2
244.09714	3.4
246.11398	3.3
248.09471	4.7
249.10179	13.6
250.11079	19.2
251.08055	6.1
251.11781	72.8
252.08958	5.6
252.12531	13.2
253.09755	28.2
253.13379	60.0
254.10555	21.6
254.14049	3.9
255.11272	6.4
260.09232	2.7
261.10153	3.6
262.10962	4.4
263.11813	35.2
264.08862	4.2
264.12491	6.5
265.09784	29.4
265.13379	68.2
266.10507	22.7
266.13947	7.6
267.11331	51.3
267.14548	5.4
268.12045	8.6
269.12830	8.5
271.10834	6.0
275.11932	4.7
277.09744	8.0
277.13217	5.9
278.10583	9.3
279.11298	41.4
279.14487	4.1
280.11972	11.7
281.12860	75.3
282.13333	3.6
283.10791	19.3
283.14236	4.8
284.11536	7.0
285.12326	33.0
286.13171	7.3
291.11243	15.5
292.11942	4.7
293.12750	32.6
294.13757	3.7
295.10751	6.8
295.14362	13.9
296.11588	3.9
296.43634	2.6
297.12317	19.1
298.13144	10.6
299.13901	32.1
305.09338	5.2
305.12775	4.4
307.10727	7.6
309.12338	63.9
310.12952	8.3
311.13858	43.7
312.14600	3.2
313.15582	7.2
317.12820	3.2
319.10699	5.3
319.14487	3.9
321.12329	16.6
323.10385	3.1
323.14014	5.8
325.11853	5.3
327.13425	44.0
330.16061	3.4
337.11853	6.3
338.12885	2.6
339.13364	18.3
341.14975	78.3
344.14041	2.7
345.14520	3.6
351.13541	7.7
353.15054	20.7
355.16696	3.1
357.14606	8.3
359.15991	8.0
369.14435	33.6
371.16068	22.1
372.17010	7.0
373.17947	3.0
379.12939	3.2
381.14563	4.4
383.16174	5.0
386.18829	3.2
388.16412	2.9
393.14395	3.8
395.16199	3.1
399.15604	5.7
400.16400	7.2
401.16879	4.8
402.17953	3.6
407.15988	6.0
411.15393	18.2
412.16495	4.2
413.17050	10.6
414.18130	5.1
416.19559	2.6
418.17343	3.8
420.19412	3.2
425.17108	16.7
429.16455	19.4
430.17288	7.0
432.19189	7.3
435.15640	17.9
437.17166	7.1
439.14658	3.9
441.16473	8.7
442.17099	5.2
443.18076	17.2
447.15897	4.7
453.16519	45.7
454.16766	3.0
455.17987	15.2
457.19745	3.0
460.18442	5.9
462.20282	6.1
463.14899	5.1
465.16370	10.3
467.18286	5.3
471.17569	46.4
473.18979	7.7
474.20404	15.0
479.18350	3.2
480.20993	5.0
481.15564	4.9
483.17514	10.6
485.19174	11.3
490.19324	2.8
492.21301	23.5
495.17374	6.0
497.18903	8.2
498.20267	4.8
501.19037	4.5
502.19284	3.9
503.20157	8.3
505.11780	3.0
506.22784	7.4
513.18768	18.2
514.19348	2.7
515.20386	26.9
522.22467	11.4
534.22437	20.1
556.20679	9.4
558.21680	3.7
562.21417	3.5
564.23456	5.4
568.20154	4.4
574.21814	7.5
586.21375	14.4
588.23425	31.0
589.10986	5.6
590.25421	3.3
592.22919	11.5
594.24463	46.8
595.25287	4.4
600.23297	25.4
602.24475	2.7
603.25232	5.0
604.22766	12.3
606.24469	52.6
618.24493	48.7
620.25208	4.5
621.26648	5.0
624.25464	84.2
625.25708	4.4
627.27954	6.1
631.25317	4.7
632.25946	10.1
636.25494	100.0
637.26300	4.5
645.28906	2.9
650.26581	4.4
664.25061	12.3
668.27655	5.2
675.28015	3.7
687.30078	5.6
693.28967	12.7
698.28998	13.5
703.27441	6.5
707.30731	42.4
710.28815	8.4
711.29541	7.1
721.28790	34.1
725.31787	90.7
726.31201	4.9
735.29944	10.2
739.29413	13.7
742.32458	13.1
743.32764	27.3
753.31274	71.8
757.31323	13.6
761.33185	8.9
771.32233	27.8
789.33276	21.7
877.38544	4.8
894.65985	6.8
895.40802	4.0
895.66211	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	894.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26912	0.4
63.02384	1.1
65.03929	0.5
67.05505	0.9
67.69392	0.3
69.03426	1.4
69.07055	0.4
71.04986	1.0
71.59058	0.4
71.59451	0.4
78.04710	0.5
78.12440	0.3
79.05495	1.7
81.03423	4.2
81.07051	0.8
85.02895	2.6
85.06535	0.4
89.03920	7.4
91.05489	3.7
93.07046	1.2
94.04187	0.5
95.04968	1.2
95.08627	0.4
97.02891	0.7
99.04476	0.9
102.92283	0.3
103.05473	3.5
105.07027	2.1
105.98777	0.3
107.04949	3.0
107.08595	0.4
109.02867	1.5
109.10104	0.5
115.05455	1.5
117.03381	20.5
117.07008	1.3
118.03716	0.4
119.04922	2.3
119.08559	0.9
120.08066	0.4
121.06491	2.2
122.03645	1.0
123.04420	2.9
124.05209	0.7
124.07570	0.4
127.03941	1.3
128.04292	0.4
128.06212	0.6
129.07001	1.5
129.10265	0.4
131.04933	10.3
133.02812	0.9
133.06519	3.0
133.10124	0.5
134.03613	1.3
134.06000	0.4
135.04408	5.1
136.05208	0.5
136.07562	0.4
137.05980	21.8
138.09138	1.0
143.04910	1.0
145.02846	54.2
145.06549	2.1
146.03171	0.8
147.04422	2.5
147.08080	0.9
148.05124	0.6
149.05992	9.1
151.03882	0.8
151.07483	1.9
152.07062	0.6
153.01907	0.4
153.05544	0.9
153.06949	0.9
154.08650	0.5
155.08557	0.5
157.06487	1.3
159.04518	0.4
161.05983	9.0
162.05498	0.7
163.03912	1.7
163.07545	8.6
163.08916	0.5
164.04715	1.0
164.07043	3.0
165.05473	2.3
165.06923	0.5
165.09134	1.9
167.07040	11.7
169.06467	0.5
171.08054	1.2
173.05954	1.4
175.07567	1.6
176.07019	0.5
177.05472	100.0
178.05878	2.3
179.07030	7.2
180.07819	7.1
181.04999	0.4
181.06418	0.5
181.08653	2.7
183.08066	1.1
186.05522	2.9
187.07539	1.5
189.09102	2.9
191.07016	1.3
191.08665	0.5
193.08614	9.4
194.07278	0.6
195.06453	1.0
195.08076	0.6
199.07605	1.2
203.07048	0.4
205.08647	1.9
207.06532	1.2
207.10172	2.7
209.07994	0.7
209.09723	0.9
213.09055	0.7
214.08624	0.5
215.10693	2.5
217.08530	0.6
217.12320	0.8
219.10172	0.4
223.07652	1.0
231.10204	1.8
233.11716	2.1
237.09177	2.0
244.09616	0.9
251.07091	0.6
255.10129	0.8
259.13324	0.6
265.08517	1.3
271.09641	0.4
282.08804	1.3
283.09549	1.3
297.11099	0.8
302.17200	0.7
315.12299	6.8
321.09634	2.8
328.11554	0.6
330.13287	0.6
332.14920	19.5
333.15494	0.6
335.12857	0.7
339.10751	5.5
341.13904	0.4
349.14444	0.5
367.15414	1.2
369.16901	5.1
385.16489	1.1
386.17007	0.5
387.17856	1.4
404.18130	1.0
422.16150	2.4
440.16846	0.4
490.27832	0.8
491.17102	0.4
502.11130	0.4
503.20914	0.5
508.19635	3.3
538.24225	3.5
539.23364	0.8
556.25464	21.3
557.25739	1.0
598.26025	0.5
628.24829	1.0
646.26434	6.2
664.28082	0.5
682.27368	0.5
700.29114	1.2
718.30688	2.9
727.09088	0.4
732.29474	1.3
840.31860	2.1
858.31567	1.2
862.33789	0.4
876.33441	1.5
894.20892	0.4
894.35437	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	893.417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.7
67.05500	8.8
69.03424	4.4
69.07066	2.2
71.04984	1.3
71.20499	2.8
73.02913	1.6
79.05495	6.2
80.05021	4.2
80.67183	1.2
81.03421	9.3
81.05775	2.3
81.07069	1.5
82.06572	4.1
83.04966	2.1
85.02912	3.5
89.03950	1.3
91.05465	9.9
93.00922	1.0
93.05777	2.6
93.07039	15.9
94.06567	22.9
95.04995	5.6
95.07343	18.0
95.08607	2.8
96.07548	2.0
96.08133	29.8
97.02888	3.4
97.06531	3.8
99.04442	1.4
102.71632	1.0
103.05476	4.0
105.07024	2.3
106.06554	2.4
107.04970	2.4
107.07355	2.6
108.04469	10.0
108.08114	49.7
109.02872	7.2
109.08900	3.2
110.09679	56.5
118.06528	1.3
119.04907	1.4
120.04498	1.4
120.08101	41.0
121.06527	2.3
122.06022	22.1
122.09663	6.2
123.06803	2.9
124.07616	3.3
127.03928	5.2
132.04485	3.4
132.08156	2.8
133.10170	1.3
134.06017	5.1
134.09680	3.2
135.04382	1.0
136.07576	33.1
137.05992	1.8
138.09138	71.0
139.09521	1.2
144.08046	1.5
145.02795	1.6
145.10156	1.1
146.06030	4.1
146.09686	1.6
148.07568	21.8
150.09146	9.3
152.07071	7.8
158.09607	2.1
160.03934	21.2
160.07565	3.4
162.05466	1.5
162.09164	1.7
164.07095	5.0
165.06894	1.1
166.08640	62.2
170.09648	1.2
172.03940	5.2
172.07620	1.4
172.11220	2.1
174.05527	5.0
174.09164	3.2
176.07021	1.1
177.05527	3.5
178.05005	4.6
178.08624	1.6
180.06714	2.9
180.08133	1.3
184.07475	2.4
186.09155	3.4
188.10693	1.5
190.04990	3.2
192.06544	1.9
192.10175	1.2
194.08125	2.2
197.10760	3.3
198.09273	2.3
198.11433	1.6
199.08678	4.9
199.12314	1.6
200.07121	1.4
200.10826	2.2
202.04993	1.8
202.08618	2.2
204.06581	5.3
204.10138	2.4
206.08218	1.2
208.09610	1.9
209.10822	2.6
210.09142	1.3
210.11493	3.5
211.08627	10.6
211.12259	11.3
212.09323	2.8
212.13039	2.6
213.06642	2.1
213.10184	12.9
214.08669	2.2
216.10210	5.1
221.10744	2.2
222.11508	4.4
223.08678	13.4
223.12164	6.0
224.09196	2.2
224.11096	1.8
224.13022	2.2
225.06784	1.8
225.10226	46.0
225.13519	5.6
226.11000	18.1
227.08234	2.8
227.11781	24.6
229.13240	2.1
232.09697	4.4
234.11411	1.3
235.08537	5.8
235.12210	6.6
236.09367	5.0
236.13023	2.1
237.10242	28.0
237.13800	7.1
238.11009	17.5
239.08163	22.1
239.11803	77.3
240.12563	17.2
241.09727	3.0
241.13403	7.9
244.09674	4.3
246.11317	4.8
247.12207	1.6
248.09480	4.0
249.10245	16.2
250.10965	17.2
251.08075	9.1
251.11798	72.3
252.06567	2.3
252.08820	5.6
252.12567	15.5
253.07455	1.2
253.09735	31.3
253.13370	57.1
254.10516	23.5
254.14067	5.5
255.11337	5.4
255.14937	1.6
260.09210	1.9
261.10294	1.9
262.11148	2.0
263.08905	1.3
263.11798	39.4
264.09024	4.7
264.12540	11.7
265.09760	22.7
265.13370	68.8
266.10519	17.1
266.13965	8.5
267.11301	48.4
267.14832	7.5
268.12088	5.4
268.15060	1.2
269.12808	7.5
271.10834	7.1
271.14151	1.6
275.07025	3.3
275.11816	3.7
276.10025	1.6
276.12589	1.5
277.09778	6.6
277.13379	7.7
278.10339	11.7
279.11282	40.5
280.12003	7.8
281.12836	77.6
282.10172	1.6
282.13596	2.6
283.10806	16.0
283.14398	5.3
284.11563	4.7
285.12311	30.9
286.13107	8.2
287.11551	3.0
287.14279	1.6
289.13266	2.0
290.10703	1.3
291.11261	15.5
291.14597	2.0
292.11902	5.0
293.09552	2.0
293.12811	37.0
294.10309	1.5
294.13541	5.5
295.10754	6.8
295.14404	9.2
296.11520	7.3
297.12369	21.0
298.13037	7.8
299.13904	31.5
301.12674	1.7
303.11252	2.7
303.14908	1.6
305.09335	1.6
305.12918	4.0
306.09796	1.8
307.10852	7.0
308.11487	1.5
309.12335	65.2
310.13004	7.4
311.10406	1.5
311.13873	41.2
312.14481	4.6
313.11896	3.3
313.15469	10.4
314.12851	1.4
316.14694	1.9
317.12674	2.2
319.10764	8.9
319.14139	2.4
320.11429	3.1
321.12335	19.2
323.10519	2.2
323.13828	6.1
324.11374	1.3
325.11896	7.1
325.15454	2.6
326.12628	2.9
327.13391	43.5
328.14307	4.0
330.15982	3.1
333.12180	1.8
335.14044	1.8
337.11758	7.3
338.12576	3.2
339.13376	13.9
340.14438	2.9
341.14969	60.7
342.15884	2.8
343.13474	1.7
344.14398	2.2
344.17654	2.7
351.13486	6.9
352.14240	2.1
353.14996	17.3
355.12524	1.4
355.16562	2.7
356.13757	1.8
356.17618	1.8
357.14587	9.7
358.15347	3.3
359.16254	6.1
360.17102	2.7
363.13281	1.4
365.15128	2.2
367.12778	1.7
367.16702	2.6
368.13528	1.9
369.14447	33.1
370.15146	3.5
371.15973	20.1
372.16971	5.4
373.18008	2.1
374.14767	1.7
374.18906	2.1
378.15823	1.3
379.16644	2.1
381.14371	4.6
383.16165	7.1
384.17233	2.2
386.14670	1.6
386.18777	3.0
387.15796	1.4
388.16443	2.5
393.14258	2.7
395.15854	3.6
396.16971	1.9
396.86890	1.6
399.15564	4.7
400.16492	3.7
401.17108	4.8
402.18149	2.3
405.14209	2.4
407.16043	5.2
409.18195	2.2
411.15460	19.8
412.16153	3.7
413.16974	11.0
414.17966	6.8
416.19687	3.9
418.17401	3.5
419.15927	1.7
420.19196	2.8
423.15482	4.7
425.17142	15.9
427.18988	1.6
429.16534	14.9
430.17435	5.0
432.19235	6.3
433.19604	1.3
434.20837	2.1
435.15540	16.6
437.17328	6.1
438.17838	1.4
439.14648	3.3
440.15833	2.8
441.16885	6.8
442.17551	3.8
443.18097	17.2
446.21014	2.7
447.15283	2.1
448.18365	1.6
449.17502	1.5
453.10513	2.4
453.16553	46.6
454.17081	1.9
455.18182	10.0
456.19434	2.3
457.16031	1.5
460.18643	6.9
462.20255	6.6
463.14951	3.5
464.15601	1.8
465.16641	8.4
467.18265	7.9
469.16025	2.8
471.17679	45.0
472.18326	3.6
473.19290	8.7
474.20206	12.1
479.18307	2.8
480.20935	5.0
481.15900	7.2
482.16699	2.5
483.17593	10.0
484.18472	1.8
485.19040	11.0
488.21310	1.5
490.19531	3.6
492.21362	19.9
494.23065	1.9
495.17670	3.6
497.19101	8.7
498.19916	2.7
501.18692	3.5
502.19693	3.0
503.20132	7.3
504.20642	2.3
506.22821	7.2
513.18713	18.4
514.19550	3.2
515.20258	26.3
516.21429	1.9
522.22363	15.0
528.21338	3.1
530.22638	2.3
531.19586	1.9
533.21155	5.9
534.22296	21.5
540.21198	2.2
542.22766	3.5
546.22156	2.6
556.20227	6.8
558.22266	2.9
560.24042	1.6
562.21655	5.4
564.22888	1.6
568.21051	5.3
570.22266	2.4
572.23920	4.0
574.21820	12.6
576.23175	3.3
582.23938	2.5
586.21759	14.4
588.23425	33.1
590.25073	3.0
592.23029	13.8
594.24463	53.6
595.25018	4.2
600.23450	27.1
602.23932	1.7
603.25726	5.9
604.22510	13.2
606.24475	63.9
607.24896	2.3
609.26514	2.1
613.26233	3.3
617.24567	1.8
618.24451	54.2
619.25427	3.5
621.26251	2.7
622.25439	2.1
624.25494	91.6
625.26135	1.9
627.28333	4.7
631.25049	5.8
632.26123	14.8
634.23462	2.0
636.25513	100.0
637.25903	2.6
643.26965	1.9
649.26196	2.6
650.26782	4.6
654.25818	1.8
664.25177	10.5
667.27393	6.2
668.28333	6.7
675.27686	5.3
677.29071	2.6
687.30103	7.7
693.29242	14.6
695.30579	1.6
696.30542	5.2
703.27905	5.6
707.30652	34.0
708.31030	8.7
711.30945	6.0
721.28601	30.4
725.31799	91.1
726.31934	3.3
729.30988	3.6
735.30511	9.7
739.29816	16.1
740.32922	10.5
743.20123	2.1
743.32892	28.5
753.31323	82.1
754.31366	2.0
755.28937	2.2
757.30743	12.2
761.33923	7.4
771.32281	33.2
789.33533	20.1
843.35925	2.8
875.39063	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	893.38
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	5.7
69.03413	5.2
69.07050	1.7
70.76309	1.5
73.02907	2.6
79.05486	3.3
80.04994	3.1
81.03413	11.7
81.07043	2.2
82.06566	3.8
85.02889	5.5
91.05473	7.2
93.05792	2.6
93.07039	13.0
94.06564	25.2
94.34554	1.6
95.04959	4.1
95.07355	16.1
95.08591	4.1
96.08128	28.7
97.02872	4.3
97.06528	3.5
103.05463	3.1
106.06541	2.8
107.04968	2.2
108.04468	9.2
108.08112	51.7
108.08857	2.6
109.02863	5.7
109.08904	2.4
109.26590	1.7
110.06048	1.7
110.09671	53.3
119.04955	1.6
120.08102	39.3
121.06499	2.1
122.06028	26.1
122.09630	7.2
123.06787	2.6
124.07548	2.4
127.03921	4.4
132.04475	3.5
134.06012	4.4
134.09694	1.8
136.07574	29.5
137.05930	2.1
138.09134	69.9
144.08054	1.6
146.06017	4.6
146.09598	2.8
148.07571	21.6
148.11049	1.7
150.09142	9.1
152.07033	6.5
160.03923	22.3
160.07570	4.4
162.05537	3.4
162.09091	1.7
164.07079	3.8
166.08626	56.0
172.03902	5.1
172.07568	3.4
174.05495	2.5
174.09157	3.9
177.05470	4.1
178.05009	3.2
178.08638	3.1
186.09163	2.7
188.10654	2.0
190.04904	3.5
192.06589	2.7
197.10693	3.8
198.09209	2.4
199.08662	5.3
200.10818	1.9
202.04987	2.3
202.08600	2.2
204.06544	7.2
208.09668	2.9
209.10677	2.7
210.11520	3.0
211.08659	8.1
211.12195	8.5
212.09358	2.5
213.06540	3.5
213.10278	9.6
214.08664	2.5
216.10214	2.8
221.10722	2.1
222.11455	4.3
223.08722	10.7
223.12288	4.3
224.09450	4.6
224.13010	3.6
225.06825	2.3
225.10222	43.7
225.13750	3.8
226.10953	19.3
227.11748	20.2
228.10226	2.1
229.13258	3.4
232.09700	4.2
234.11397	1.7
235.08635	5.3
235.12227	3.4
236.09486	5.6
237.10188	24.3
237.13867	5.1
238.10915	19.0
239.08179	20.4
239.11781	64.9
240.12495	15.8
241.09599	3.5
241.13423	8.1
244.09653	5.9
246.11264	4.1
248.09392	2.2
248.13104	1.7
249.10275	13.9
250.10925	20.8
251.08150	7.7
251.11778	53.8
252.08937	9.9
252.12466	16.6
253.07240	1.0
253.09726	25.9
253.13353	50.2
254.10452	21.2
254.14059	4.3
255.07480	1.7
255.11212	3.2
255.14919	1.8
260.09106	2.3
261.10297	2.1
262.10938	4.0
262.91968	1.7
263.08853	2.6
263.11804	38.2
264.08875	3.2
264.12610	10.9
265.09723	24.6
265.13336	61.7
266.10516	15.7
266.13947	8.1
267.11273	44.3
267.14877	5.7
268.11948	6.6
269.12796	5.9
271.10663	8.0
275.11685	2.7
277.09793	7.9
277.13351	5.8
278.10361	9.5
279.11267	44.8
279.14417	3.3
280.12228	7.1
281.12839	69.4
282.13287	3.5
283.10788	11.7
283.14407	6.5
284.11606	5.5
285.12338	29.5
286.13065	6.0
289.13382	1.9
291.11243	15.9
292.11954	4.4
293.09546	1.9
293.12799	35.8
294.10150	3.1
294.13470	3.9
295.10825	5.0
295.14404	9.2
296.11572	8.2
297.12244	18.6
298.12976	7.5
299.13901	27.7
300.14731	2.2
303.11224	3.1
305.09164	2.2
306.09787	1.6
307.10736	5.1
308.11499	2.7
309.12314	56.4
310.13019	8.6
311.10260	1.9
311.13892	38.1
312.14413	3.7
313.12173	2.3
313.15442	11.0
315.14157	2.0
319.10889	7.5
321.12341	15.8
323.10248	2.3
323.13928	5.7
325.11780	6.3
325.15228	2.7
326.12686	4.3
327.13385	42.6
329.15573	2.4
333.12469	2.1
337.11728	8.7
338.12555	5.5
339.13440	15.1
340.14188	3.4
341.14935	66.0
342.15698	3.2
344.13867	3.0
347.13916	1.8
351.13364	9.2
352.14337	3.0
353.15042	17.6
354.15811	3.1
355.16751	2.1
356.17969	1.9
357.14709	7.8
358.15234	5.6
359.15918	5.3
360.16998	2.9
367.12637	2.6
368.13290	2.1
369.14423	35.1
369.19009	2.7
370.15237	4.3
371.16092	20.9
372.16882	6.1
375.13284	2.5
377.14954	1.9
379.16797	2.3
380.13889	1.8
381.14468	4.2
383.15921	6.2
385.17694	2.0
386.18417	4.3
387.15543	2.2
388.16553	4.1
389.15048	1.6
393.14261	2.5
395.16202	4.7
398.14731	1.9
399.15668	4.2
400.16483	4.1
401.16931	6.1
402.18115	3.6
403.12451	2.0
407.15976	5.2
411.15536	21.6
412.16339	2.1
413.17151	12.4
414.18198	8.0
416.19516	4.6
418.17648	1.9
419.16901	2.0
420.18835	4.5
423.15469	3.6
425.16992	16.1
429.16620	18.4
430.17682	4.6
432.19034	6.3
433.14114	2.3
434.20779	2.9
435.15460	14.9
437.16995	10.5
439.15002	2.7
440.15466	2.1
441.16541	8.1
442.17542	7.5
443.18188	19.5
444.19019	3.0
446.20914	2.5
447.15485	4.1
448.18365	3.7
453.16504	55.6
454.17172	4.4
455.18134	11.5
456.18839	3.3
460.18851	8.2
462.20197	9.2
463.14835	4.3
465.16797	9.8
466.17288	1.7
467.18124	5.7
469.15738	3.1
470.16751	2.5
471.11185	2.7
471.17630	41.3
472.18182	2.4
473.19205	12.4
474.19977	14.0
477.16907	1.9
479.18011	2.3
480.20908	5.7
481.15909	5.7
483.17569	11.6
484.17889	2.1
485.19260	10.1
486.18997	1.9
490.19437	3.2
492.21390	17.8
494.22369	2.6
495.17099	4.9
497.19214	11.7
498.19913	4.1
501.18686	2.1
502.19595	3.2
503.20233	8.8
506.22729	6.2
513.18481	17.1
515.20270	25.7
516.20618	2.9
522.22192	15.6
528.21039	2.7
531.19672	6.3
533.21552	10.2
534.22406	21.0
537.23798	2.0
542.22711	3.2
556.20343	10.1
558.21967	3.4
560.23761	1.9
562.21625	5.1
564.23230	2.2
568.20642	6.4
570.22266	2.2
572.23645	3.1
574.21777	14.8
576.23297	3.7
582.23706	2.0
585.24396	3.5
586.21790	14.8
588.23407	32.2
592.22717	15.5
594.24457	46.4
595.25262	4.8
600.23389	31.1
603.25214	4.7
603.47980	1.7
604.22699	14.9
606.24408	67.8
607.25348	4.0
613.25806	2.6
617.24561	1.9
618.24432	51.6
619.25366	2.8
621.26056	3.2
624.25433	88.2
625.25372	5.1
627.27692	4.3
631.25073	6.7
632.26105	14.5
636.25500	100.0
649.25500	2.5
650.26703	6.2
654.26019	2.1
655.27954	1.8
664.25140	12.2
667.27002	3.2
668.27911	5.8
675.27612	5.0
677.29553	3.4
687.30005	5.0
693.29108	17.6
695.29889	2.2
696.30121	3.0
703.27496	8.4
707.30737	38.2
708.30084	8.6
711.29816	6.6
721.28699	36.7
725.31726	95.3
726.31970	2.8
729.30646	2.3
735.30322	12.6
739.29718	19.9
740.30725	13.4
743.32806	28.0
753.31219	82.2
754.31665	2.6
757.30414	12.3
761.33228	6.8
771.32312	31.3
789.33508	20.0
875.38519	3.2
893.37378	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	892.505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	4.7
67.05508	36.6
69.03434	8.8
69.07073	16.3
71.04997	4.8
71.59347	1.6
73.02920	4.7
79.05494	36.6
81.03424	32.1
81.07060	41.7
83.04979	8.8
83.08617	14.1
85.02913	13.4
85.06560	2.7
86.09712	1.2
91.03979	4.5
91.05483	46.3
93.07050	33.7
95.04972	16.5
95.08602	18.4
96.08131	1.3
97.02895	6.3
97.06530	7.2
97.10202	4.0
99.04510	1.8
99.08108	1.2
103.05482	2.9
105.07033	26.5
105.07673	1.8
107.04961	11.1
107.08593	19.7
109.02953	2.0
109.06522	8.0
109.10149	9.9
111.08133	4.0
115.05497	3.5
117.06999	11.2
118.64609	1.2
119.04989	8.3
119.08574	15.9
121.06487	6.6
121.10161	11.9
123.04410	9.1
123.08112	3.4
123.11716	2.1
125.09691	4.0
127.03976	3.8
128.06274	2.0
129.05533	1.9
129.07019	9.0
131.04976	4.0
131.08577	16.2
133.06516	8.1
133.10132	13.4
133.10924	1.1
135.04422	8.7
135.08122	3.2
135.11728	5.3
136.06245	2.8
136.07603	1.4
137.05984	54.9
137.09683	1.5
138.09189	1.4
141.06995	2.7
142.07777	2.3
143.08586	3.3
145.06479	6.9
145.10187	3.9
147.04407	10.2
147.08092	5.4
147.11700	12.4
148.07605	1.7
149.05983	8.6
149.09642	10.8
149.13266	2.5
152.07150	2.0
154.08698	2.2
155.08620	1.9
157.06570	4.3
157.10117	7.9
159.08029	5.7
159.11780	5.0
160.05359	1.3
161.05962	16.3
161.09570	1.4
161.13353	2.4
163.07550	7.2
163.11198	3.2
164.07140	5.4
165.05611	1.7
165.12799	1.9
166.08698	2.0
169.06506	2.1
169.10143	1.6
171.08067	3.3
171.11731	1.9
173.05965	13.2
173.09653	2.5
173.13307	1.3
175.07539	13.3
175.11273	5.4
177.05417	2.4
177.09164	1.2
183.08054	2.9
183.11783	1.6
184.07457	2.6
185.09718	1.9
187.07553	12.5
187.11240	1.8
189.09213	5.6
190.08649	2.5
191.07054	1.6
193.12244	11.2
197.09653	2.0
199.07681	4.5
201.09209	3.9
211.07625	1.9
211.11494	1.6
211.13368	5.1
213.09009	3.0
225.09204	1.7
251.11705	1.5
257.15424	8.4
267.13934	1.9
269.17630	2.8
274.18112	1.7
275.07254	1.2
275.20181	2.8
285.12283	1.5
285.14896	7.8
302.17554	13.2
303.15906	5.9
311.16699	4.3
320.18723	2.0
328.19373	3.7
329.17450	11.0
346.20093	12.8
347.18671	2.2
349.24051	2.9
356.62180	1.4
358.20306	1.9
376.21432	3.0
377.96857	1.3
394.22314	1.3
402.23053	4.2
420.23792	7.3
438.25323	1.6
498.28091	1.9
501.51749	1.3
614.36908	9.5
618.35785	5.8
632.38074	13.8
694.43079	11.3
712.44196	66.5
713.44800	3.1
730.45233	50.6
731.45758	3.3
762.40479	2.8
776.42126	6.4
780.41547	3.2
794.43341	4.5
838.48303	3.5
856.48993	8.5
874.49323	46.2
875.50714	2.2
892.50562	100.0
893.51086	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	891.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	15.8
67.57246	3.3
69.03065	2.9
69.03418	12.7
69.47485	27.2
70.06583	4.7
71.04972	5.3
71.36303	2.6
73.02921	3.8
75.31094	3.2
79.05495	12.0
79.45811	3.0
80.05004	4.7
81.03399	17.0
81.07049	8.2
82.06593	3.6
83.04984	4.8
85.02925	14.7
85.06551	19.5
91.05480	11.2
93.05782	3.7
93.07043	21.6
94.06572	26.1
95.04973	8.4
95.07356	20.2
95.08586	6.9
96.08137	39.5
97.02871	9.5
97.06529	5.3
98.21583	3.2
103.05458	5.6
105.07047	6.2
106.06572	4.8
107.04940	4.1
107.08607	3.3
108.04467	8.8
108.07422	4.1
108.08128	56.1
109.02890	5.8
109.10130	4.7
110.09687	65.8
111.04427	3.3
119.08561	3.9
120.08103	45.2
121.06475	3.5
122.06060	24.2
122.09655	9.2
124.07578	5.1
127.03880	9.7
131.07361	3.0
132.08076	5.3
133.10120	4.8
134.06017	8.0
136.07579	37.4
137.06000	7.0
138.09138	89.0
138.10205	4.4
144.08122	4.2
145.02863	7.6
146.05952	4.7
147.04434	4.1
148.07565	17.6
149.09550	4.2
150.09157	15.2
152.07056	8.5
160.03954	25.9
160.07617	4.7
164.07065	9.8
166.07376	6.5
166.08646	78.9
167.12608	3.4
167.72571	2.8
172.03926	7.4
172.07510	5.0
173.13278	3.3
174.05521	6.3
174.09105	5.6
176.06976	4.9
177.05513	12.4
178.04991	6.4
184.07364	5.0
186.09218	4.6
190.04919	4.9
192.06595	9.0
200.10738	5.1
202.08699	3.0
204.06548	9.4
204.10146	3.0
208.09761	4.9
210.11386	4.7
211.08693	8.5
211.12338	8.8
212.06934	3.1
213.06335	3.2
213.10257	7.5
213.78162	2.8
215.24713	3.4
216.10213	7.3
221.10629	4.6
223.08649	11.3
223.12265	7.4
224.09285	4.1
224.12994	3.6
225.10226	43.4
225.13776	6.8
226.10910	20.8
227.11723	22.0
232.09781	3.8
235.08595	6.7
235.12259	3.8
236.09512	9.5
237.10257	28.0
237.13908	8.2
238.10934	18.4
239.08212	22.6
239.11781	78.0
240.12572	23.2
241.09784	7.0
241.13319	9.2
244.09698	9.9
246.11247	5.7
248.09148	4.7
249.10202	21.0
250.10942	22.5
251.08157	15.3
251.11781	68.9
252.08905	6.2
252.12567	18.0
253.09735	31.5
253.13382	66.3
254.10500	28.8
254.12793	3.2
254.14217	4.1
255.11189	3.8
263.11816	45.2
264.09161	6.0
264.12509	11.6
265.09753	23.2
265.13336	72.6
266.10492	21.4
266.13522	5.4
267.11301	54.0
267.14639	5.5
268.11945	4.6
269.09290	3.8
269.12811	9.8
271.10699	10.4
274.10837	4.0
275.07092	4.2
275.11728	5.0
277.09738	8.6
277.13327	6.7
278.10431	10.7
279.11261	43.8
280.11975	8.2
281.09738	5.0
281.12885	94.7
282.13660	5.5
283.10822	15.2
283.14398	6.5
284.11426	8.0
285.12369	37.3
286.13028	7.8
291.11368	20.3
291.14670	5.0
292.11923	7.0
293.09518	6.2
293.12741	40.7
294.13635	6.8
295.10733	13.0
295.14371	16.8
296.11691	4.9
297.12360	25.5
298.13071	9.4
299.13980	35.5
307.10605	5.9
309.12347	91.0
310.12979	6.2
311.10776	3.4
311.13910	56.2
313.11816	4.0
313.15445	8.6
316.14700	3.5
319.10913	5.2
321.12384	21.5
323.13882	4.8
325.11798	10.0
327.13419	75.0
333.12320	4.6
337.11703	15.0
338.12720	7.0
339.13318	18.6
341.11096	6.7
341.14981	91.6
342.15604	4.6
344.13922	5.5
351.13367	9.8
351.17206	7.7
353.15088	20.6
357.14563	11.0
358.15387	8.9
359.15863	11.9
365.18466	4.7
369.14471	52.4
371.16074	34.8
372.17001	7.3
381.14468	7.4
383.16025	7.8
384.17099	3.6
390.18109	4.0
393.18027	8.1
400.16220	4.4
401.17004	5.6
402.18079	5.8
407.15729	6.1
411.15509	20.1
413.17017	11.0
414.17807	9.8
416.19675	6.1
417.13803	3.9
425.17014	13.7
429.16537	21.8
430.17014	6.7
432.19138	7.1
435.15543	12.4
437.21472	5.8
441.16495	8.0
442.17322	8.9
443.18329	23.6
443.23904	4.1
446.21109	6.4
447.15485	4.0
448.18372	7.0
453.16370	44.8
454.17285	4.4
455.17917	8.6
460.18637	13.9
462.20166	14.3
465.16873	10.0
467.18143	8.4
471.17636	43.4
472.17999	4.0
473.18924	8.2
474.19980	21.6
480.21304	22.9
483.17502	11.5
485.19034	12.3
490.20035	3.5
492.21362	47.2
493.21332	6.8
495.17551	4.9
496.18488	4.2
497.19217	10.7
501.18588	5.7
503.20438	8.6
504.21252	3.6
506.22739	11.4
513.18652	24.6
515.20300	27.1
522.22406	17.8
534.22253	20.2
546.25928	27.5
556.20892	10.6
558.26434	20.2
560.23126	4.4
562.22150	4.4
564.26685	6.8
568.20538	7.2
574.22009	10.2
576.27374	14.9
586.21613	18.0
588.23401	37.1
590.24329	4.5
592.22626	18.0
594.24463	50.1
595.25067	5.8
600.23309	29.5
603.25378	3.6
604.22699	16.5
606.15082	4.0
606.24561	64.2
613.26324	12.6
617.27106	5.6
618.24457	59.2
624.25488	89.3
627.27747	12.6
631.25098	6.9
632.25421	14.1
636.25562	100.0
643.27570	3.4
645.28864	8.7
650.26715	5.6
664.24506	12.9
667.27386	4.2
668.28534	5.7
675.27631	6.0
677.30365	4.0
683.33197	4.2
693.28674	18.0
703.27777	6.2
707.30792	36.3
711.31952	12.7
721.28711	28.3
725.31830	96.8
726.31183	4.2
729.43835	4.6
735.30695	14.5
738.31592	12.0
739.29999	14.5
743.32898	23.6
753.31256	79.5
757.30286	9.9
761.32990	4.8
771.32294	28.3
789.33514	20.6
847.46082	4.0
891.48816	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	891.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	11.1
69.03426	6.6
69.07050	1.9
71.09578	1.5
72.26318	1.6
79.05492	7.8
80.05026	3.0
81.03420	13.6
81.05804	2.2
81.07065	3.9
82.06567	5.1
83.04978	2.9
85.02899	5.8
91.05473	8.1
93.05787	3.6
93.07040	15.0
94.06567	26.6
95.04957	5.1
95.07359	18.3
95.08618	3.4
96.08131	35.0
97.02885	4.2
97.06539	4.1
103.05471	3.1
106.06560	3.6
107.07336	3.6
108.04500	11.7
108.08125	56.0
108.08862	3.2
109.02872	7.1
109.08953	2.9
110.09679	61.5
117.07056	1.8
120.04480	2.1
120.07224	2.6
120.08102	48.4
121.06496	2.3
122.06033	27.7
122.09628	7.4
123.06828	2.7
124.07607	3.6
127.03920	4.4
131.08578	2.1
132.04466	5.0
132.08112	2.6
134.05986	8.1
136.07576	33.4
138.09138	85.2
144.08084	3.3
145.02844	1.9
146.06006	4.6
146.09676	2.9
147.04372	3.1
148.07581	21.7
150.05508	2.9
150.09120	9.3
152.07045	7.6
153.90482	1.7
158.09624	2.0
160.03958	19.9
160.07596	4.3
162.05553	4.9
162.09200	2.1
164.07069	6.2
166.08649	73.0
167.08826	1.5
168.08060	2.1
170.09659	2.1
172.03954	5.7
172.07574	2.8
174.05569	4.0
174.09195	4.6
176.07059	2.3
177.05423	3.3
178.05013	2.5
178.08614	2.4
180.06606	2.2
180.10211	2.0
184.07657	2.4
186.05412	2.2
186.09174	3.9
188.07289	1.6
188.10770	2.5
190.04965	2.9
192.06505	3.3
192.10126	2.2
197.10760	2.2
198.09221	2.9
199.08548	7.5
199.12296	1.7
200.07124	3.1
200.10796	3.9
201.10088	2.5
202.08620	2.0
202.12346	2.6
204.06592	6.4
208.09808	2.5
210.11375	3.2
211.08607	10.5
211.12268	8.7
212.09416	4.5
213.06633	1.5
213.10199	13.2
214.08749	3.1
214.10966	1.7
216.10175	6.0
218.08115	1.8
218.11656	2.0
221.10779	2.7
222.11475	3.8
223.08696	12.8
223.12318	6.3
224.07303	2.3
224.09509	6.0
224.13098	4.3
225.10239	47.4
225.13895	4.4
226.08813	3.2
226.10999	24.2
227.08195	1.7
227.11760	18.8
228.06551	1.8
229.13397	2.3
231.64592	1.8
232.09804	3.5
233.10622	2.3
234.11411	2.7
235.08649	6.0
235.12227	3.7
236.09261	7.3
236.13084	2.4
237.10239	28.4
237.13823	7.4
238.10945	17.5
238.14561	2.3
239.08199	22.0
239.11783	80.3
240.12532	20.7
241.09766	3.5
241.13371	10.0
244.09789	5.8
246.11292	6.6
247.12230	1.6
248.09138	2.7
249.10231	16.8
249.13945	1.7
250.10992	22.4
251.08150	11.2
251.11787	78.6
252.08969	9.6
252.12465	14.6
253.09743	27.4
253.13373	57.3
254.10500	23.7
254.14070	3.9
255.11201	3.3
255.14702	1.9
262.11029	4.4
263.07983	2.2
263.08682	2.5
263.11813	37.9
264.08969	3.6
264.12555	10.6
265.09756	28.6
265.13370	64.9
266.10526	19.5
266.14041	10.2
267.11292	44.8
267.14819	7.2
268.11987	5.5
269.09125	1.5
269.12854	8.1
271.10828	7.0
275.07074	7.8
275.11731	4.1
276.12546	2.6
277.10052	10.5
277.13358	9.1
278.10532	11.2
278.14020	2.1
279.11285	46.7
279.14343	2.1
280.12122	10.7
281.12854	81.4
282.10324	2.1
282.13452	6.3
283.10812	16.8
283.14496	6.4
284.11670	5.4
285.12335	35.6
286.12967	6.3
289.13330	2.9
291.11319	17.2
291.14542	2.7
292.11929	6.4
293.09500	2.9
293.12814	38.5
294.13519	4.2
295.10815	6.3
295.14432	13.2
296.11520	7.2
297.12378	22.7
298.13123	11.5
299.13943	35.3
300.14639	2.8
301.13123	2.8
303.11346	2.6
303.14700	3.0
305.12827	3.7
305.16165	1.9
307.10803	7.9
307.14182	2.8
308.11612	1.8
309.12350	70.8
310.12924	7.9
311.10376	1.4
311.13879	42.2
312.14557	6.1
313.12155	2.5
313.15570	9.5
314.12540	2.4
317.12848	2.0
319.10751	7.1
319.14267	2.8
321.12308	21.4
322.12854	2.7
323.10364	2.9
323.13992	8.0
324.14691	2.1
325.11868	8.0
325.15442	3.4
326.12796	4.9
327.13403	45.8
328.14182	2.1
329.15457	2.1
331.14188	1.9
332.05133	1.9
335.13809	2.8
337.11816	7.9
337.15555	3.7
338.12598	5.3
339.13361	15.8
340.14084	3.1
341.14963	75.9
342.15915	3.1
344.14117	2.2
344.17734	2.1
351.13358	10.9
352.14249	2.2
353.14999	22.7
354.16162	2.8
355.12665	2.7
355.16827	3.2
357.14612	11.4
358.15549	5.1
359.15997	6.7
360.17105	2.5
363.17255	2.4
365.18704	2.7
367.16949	2.3
369.14459	39.8
370.15030	4.5
371.16089	23.7
372.16962	5.4
373.17795	2.7
374.14908	3.1
379.12625	3.3
381.14487	5.0
383.15909	5.7
384.17212	2.7
385.17816	2.3
386.18723	2.5
393.14258	2.2
395.16470	2.2
399.15506	4.6
400.16461	4.6
401.17224	3.6
402.18076	3.6
407.15979	6.6
409.17743	4.7
411.15375	21.9
411.19989	2.4
412.15994	3.1
413.17154	15.0
414.18015	6.1
416.19794	6.1
417.14563	2.2
418.17609	4.2
419.16052	3.4
420.19241	3.5
423.15594	5.1
425.17117	16.2
429.16577	19.0
430.17438	5.4
432.19150	6.9
434.20850	3.2
435.15430	18.7
437.16928	7.9
439.14737	3.2
441.16544	9.4
442.17664	6.5
443.18033	22.2
444.18948	2.9
446.20831	2.5
447.15427	2.4
448.18320	4.3
449.16812	2.0
451.14713	2.8
452.15469	2.0
453.16537	60.0
454.16986	4.2
455.18335	14.5
457.20059	1.9
460.18475	8.1
462.20059	7.2
463.14835	4.9
465.16718	9.5
467.18427	8.4
471.17612	43.0
472.18378	4.3
473.19278	10.2
474.20374	15.5
479.18149	3.4
480.21024	7.3
481.16000	5.5
483.17413	12.6
485.19226	11.9
492.21375	22.4
495.17496	4.4
497.18964	13.0
498.20316	3.1
501.18491	3.7
502.19418	3.9
503.20090	13.0
504.19977	3.2
506.22787	5.8
507.23303	1.9
513.18481	14.9
514.19220	4.1
515.20221	26.9
516.20715	3.3
522.22449	17.8
528.21179	2.6
531.19702	3.3
533.21185	5.5
534.22308	23.7
542.22699	3.2
544.24146	1.9
556.20581	11.6
558.22186	4.9
560.23688	2.3
562.21777	6.1
564.23523	3.5
566.23962	2.9
568.20856	3.3
570.21948	3.0
571.22809	2.9
572.23541	5.4
574.21478	15.5
576.23444	3.3
582.23645	2.5
585.24426	5.7
586.21649	16.7
588.23407	38.4
590.24963	4.1
592.22760	13.5
594.24426	48.3
595.24811	5.2
599.26068	2.9
600.23450	33.3
602.24750	3.7
603.25323	7.0
604.22632	12.7
606.24481	68.4
613.26672	3.5
618.24432	56.2
619.24207	2.3
620.25421	2.8
621.26947	2.0
622.25061	2.1
624.25476	93.0
625.25525	3.1
627.27820	5.0
631.25250	9.0
632.26056	13.9
636.25537	99.1
637.25610	3.6
649.26483	2.2
650.26892	5.3
652.24475	2.5
654.26776	11.1
664.24866	13.5
667.27759	2.8
668.27826	6.4
672.28937	5.6
675.27728	3.8
676.28314	3.7
677.29138	3.8
687.29846	5.9
690.30511	11.8
693.29047	13.9
695.30200	3.1
703.27734	7.6
707.30750	41.5
708.31445	21.6
711.30042	8.9
720.31128	8.3
721.28711	31.8
725.31781	100.0
726.31604	5.3
729.30896	2.3
735.29858	10.5
739.29633	19.2
743.32910	25.8
753.31274	71.2
754.31586	2.7
757.30103	11.4
761.33130	6.4
771.32446	21.4
772.32068	2.0
789.33496	20.3
891.40765	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	888.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.0
67.05505	45.0
69.03440	5.2
69.07071	26.4
70.92371	6.1
71.04998	6.4
79.05495	48.9
81.03429	14.9
81.07058	100.0
83.04993	12.5
83.08611	19.1
85.02888	8.1
85.06548	2.4
91.05479	39.2
93.07043	43.8
95.04971	26.4
95.08611	28.1
96.89876	2.3
97.02873	4.8
97.06521	13.2
97.10167	28.9
99.08126	2.7
105.07027	32.1
107.04953	20.7
107.08594	31.9
109.02857	2.2
109.06513	16.8
109.10162	19.5
110.75338	2.0
111.04436	15.1
111.08080	8.7
115.05500	2.9
115.07561	2.5
117.07022	20.4
119.04971	2.8
119.08588	34.5
121.06496	10.0
121.10142	16.8
123.08075	30.9
125.06067	2.1
125.09636	24.8
128.06212	3.4
129.06993	10.6
130.07840	2.6
131.04991	2.4
131.08577	21.2
133.06482	7.3
133.10150	13.9
135.08038	10.4
135.11699	14.9
137.06006	5.8
137.09659	6.3
138.09239	2.3
139.11174	4.1
141.07034	2.5
142.07765	2.6
143.08524	7.1
145.06497	5.1
145.10132	20.2
147.08063	15.4
147.11662	10.4
149.02371	2.8
149.09563	14.7
149.13277	3.5
151.07520	2.5
153.09137	3.7
153.12746	6.6
155.08496	3.6
157.10107	11.2
159.11707	8.6
161.09583	13.5
163.11198	19.6
165.09123	6.7
166.08643	2.6
171.10246	2.9
171.11703	5.9
173.09610	5.4
173.13220	2.3
175.11255	8.4
177.12778	6.3
181.12283	6.1
184.07378	4.0
185.09668	3.6
185.13232	3.5
189.11229	22.6
189.12726	4.3
191.10693	7.6
193.12257	4.0
195.13892	2.4
209.11775	3.4
223.13347	5.8
227.12773	23.4
227.17798	2.7
245.13742	2.6
245.19106	6.5
255.17606	3.4
273.18475	54.5
275.20053	3.6
283.15359	3.1
291.19547	93.3
301.03708	2.2
309.20609	9.5
329.21188	2.3
347.22247	26.9
356.86890	2.0
365.23233	68.0
383.24295	37.6
397.22159	2.2
517.31628	3.6
535.32800	4.2
557.34308	2.2
563.36597	2.5
637.40729	22.4
655.42041	48.5
673.43152	31.3
691.44116	15.3
888.47473	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	885.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03973	0.4
66.72438	0.3
67.05506	4.9
67.65481	0.3
69.03428	15.0
69.07069	24.6
70.03754	0.3
70.65965	0.9
71.01352	1.2
71.04993	37.9
73.02912	4.7
73.06554	3.4
75.04478	4.2
79.05074	0.3
79.05500	4.2
81.03419	5.8
81.07059	7.3
83.01358	0.8
83.04982	7.4
83.08641	0.4
85.02905	100.0
85.06496	0.4
86.03237	1.0
87.04469	3.5
91.03954	1.4
91.05474	4.4
93.07046	4.9
95.04972	2.1
95.08610	3.0
97.02892	11.3
97.06525	6.9
97.10196	0.4
99.04462	4.4
101.02382	0.5
101.06023	1.1
103.03953	1.6
105.07038	6.1
107.04961	1.3
107.08591	4.8
109.02892	3.2
109.06522	14.9
109.10159	6.6
111.04441	5.1
115.03922	0.7
115.05418	0.7
115.07567	13.5
117.05502	2.4
117.06980	2.3
119.08569	4.4
119.09346	0.5
121.10144	7.5
123.04464	0.5
123.08087	0.5
123.11736	1.9
125.09635	1.1
127.03918	10.2
127.11190	1.6
128.06201	0.7
129.05479	30.6
129.06870	2.6
130.07762	0.3
131.08560	6.0
133.10132	7.5
135.11736	2.1
137.05962	0.7
139.03876	0.7
141.06993	1.0
142.07784	2.5
143.08563	4.7
144.09360	0.4
145.04961	6.9
145.10118	6.3
145.12242	0.7
147.06522	20.0
147.11679	11.8
149.09645	0.7
149.13255	2.7
151.03874	0.5
151.11116	0.6
153.05466	0.4
155.08513	1.3
157.10133	19.1
158.10477	0.6
159.06575	0.4
159.10439	0.6
159.11693	8.9
160.11925	0.3
161.13237	2.4
163.06036	4.3
163.11288	0.6
165.07570	1.0
167.10680	11.5
169.05011	0.7
169.10156	1.7
169.12193	0.4
171.06493	0.8
171.11681	4.1
173.13271	3.3
175.05995	0.8
175.11165	0.5
175.14839	0.5
181.12250	0.4
183.11702	2.0
185.13252	2.0
187.14821	0.8
189.16306	0.4
193.08719	0.3
196.12515	0.4
197.13257	3.2
199.14801	1.1
201.16315	0.4
205.06956	0.4
209.11646	0.4
211.05928	0.3
211.14757	2.5
213.07489	0.6
213.16376	1.1
223.14838	0.6
224.15599	0.6
225.07603	0.5
225.16377	1.4
229.19473	0.4
231.08656	0.6
237.07541	0.5
238.17241	0.6
243.08568	0.6
251.18005	1.6
253.19511	44.6
254.19839	2.2
255.08601	2.4
255.21123	3.5
269.13873	0.7
269.18930	0.5
271.20557	23.0
272.20923	0.9
273.09583	2.5
281.22714	0.4
283.24173	4.9
291.10712	1.1
299.23965	0.3
309.11807	2.6
313.21777	0.4
379.29953	2.9
397.31033	8.2
415.32129	8.7
416.32175	0.4
417.26138	0.3
433.25729	1.6
515.22644	0.3
541.35669	0.4
577.37280	1.9
579.31641	13.6
580.31671	0.5
652.34503	0.3
705.42474	0.4
719.39075	0.4
723.43140	31.0
724.43445	2.4
849.46222	1.4
885.48431	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	883.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.5
67.05504	6.9
69.03429	10.8
69.07066	34.1
71.01357	1.8
71.04991	48.1
72.05295	0.2
73.02914	5.9
73.06554	5.0
75.04481	6.0
77.03967	0.2
79.05491	4.2
79.24473	0.2
80.94178	0.2
81.03418	2.4
81.06572	0.4
81.07056	8.7
83.04980	8.2
83.05362	0.2
83.08631	0.6
85.02901	100.0
86.03204	0.2
86.06054	0.8
87.00810	0.2
87.04465	4.2
91.03964	0.4
91.05476	5.9
92.53124	0.2
93.07040	5.9
95.04974	1.9
95.08598	4.0
95.09165	0.4
97.02887	16.3
97.06528	9.6
98.20741	0.7
99.00815	0.7
99.04449	3.7
99.08092	0.9
101.02377	0.8
101.06013	1.3
102.21817	0.2
103.03951	1.6
103.05431	0.2
105.07030	8.7
107.04965	0.6
107.08591	5.5
107.09294	0.4
109.02887	2.5
109.06528	2.0
109.10152	9.9
111.04438	7.0
111.11718	0.3
113.02368	2.6
113.05959	0.4
115.03938	3.1
115.07565	25.4
117.05500	3.2
117.06998	2.7
119.08589	3.9
121.06466	0.2
121.10139	7.8
123.04429	0.5
123.11693	1.9
125.02379	0.7
125.06017	0.7
125.09636	0.4
127.03913	7.9
127.11200	1.3
127.11987	0.2
128.06198	1.3
129.05478	37.5
129.06889	4.3
131.08562	7.2
133.10126	11.2
135.04428	0.3
135.08014	0.2
135.11690	2.4
137.05963	0.4
139.03929	0.7
141.05489	0.3
141.06998	1.3
142.07770	4.1
143.03377	1.3
143.08566	6.5
144.09334	0.5
145.04970	4.9
145.10124	8.2
145.12234	0.8
147.06517	23.8
147.11676	13.9
149.13263	3.0
151.03900	0.6
151.11203	0.7
153.05449	0.4
155.08551	1.7
156.09340	0.2
157.04999	0.4
157.10124	28.9
159.06558	0.5
159.11687	9.1
161.04468	2.9
161.13272	3.1
163.03946	0.3
163.06018	5.6
163.07408	0.4
163.14868	0.3
165.07590	1.4
167.10701	1.1
169.04988	0.9
169.10086	1.7
169.12256	0.2
171.06456	1.1
171.11688	5.1
173.13254	3.2
175.06047	1.1
175.11209	0.7
175.14821	0.7
177.05423	0.4
181.04984	0.2
182.10989	0.3
183.06496	0.3
183.11694	3.0
184.07483	0.3
185.13261	2.2
187.05998	0.5
187.14801	1.0
188.09244	0.3
189.07593	0.6
195.06557	0.5
195.11746	0.3
196.12419	0.3
197.13245	3.9
198.14072	0.3
199.05988	0.5
199.14813	0.7
201.16524	0.3
205.07013	0.5
207.06528	0.4
209.13292	0.9
211.06123	0.5
211.14822	2.7
212.93256	0.2
213.07588	0.5
213.16376	0.7
217.07114	0.3
223.14757	0.6
224.15630	0.7
225.07623	0.6
225.16368	1.5
227.17947	0.4
229.07076	0.5
231.08704	1.2
237.07547	0.5
237.16315	0.3
238.17119	0.9
243.08707	0.6
251.17889	1.6
253.19505	55.0
254.19926	0.8
255.08656	2.6
255.21111	2.8
265.19672	0.3
269.19022	1.0
271.20551	24.2
272.21106	0.3
273.09689	2.6
281.22635	0.3
283.24216	3.3
291.10767	1.5
295.20676	0.4
309.11740	2.9
309.14728	0.3
313.21500	0.5
337.22025	0.2
379.29947	1.8
381.24142	0.4
397.31030	2.5
399.25299	0.6
415.26053	0.3
415.31967	2.1
417.26459	0.5
433.25848	1.0
507.46100	0.2
539.33356	0.3
557.34808	0.6
575.16553	0.3
575.35706	0.4
579.31598	14.6
580.31464	0.2
663.36871	0.3
705.41785	0.7
723.43085	4.2
733.41528	0.9
847.44812	0.3
883.46832	18.5
884.46826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.1
67.05510	8.8
69.03405	1.1
69.07068	6.0
69.17546	1.0
69.23283	7.9
69.23708	4.5
71.08632	13.2
73.02924	2.1
74.65580	1.0
75.13289	0.9
79.05496	9.1
81.03419	1.3
81.07053	11.8
83.04955	1.1
83.08622	7.1
84.73109	0.9
85.02905	3.3
85.10181	7.4
89.06030	2.2
91.03985	2.3
91.05470	2.0
93.07050	14.6
95.05000	2.7
95.08607	26.7
97.02883	2.9
97.10150	3.5
99.04458	1.2
103.07609	1.2
107.04944	3.0
107.08591	10.6
107.09975	1.1
109.10168	5.9
111.04318	1.1
117.07011	2.6
119.08574	3.5
121.06496	4.2
121.10136	6.6
123.06744	1.0
123.11706	1.4
125.05974	1.4
133.08621	2.6
133.10063	1.9
135.11685	27.8
145.10120	14.3
149.85854	1.1
161.92726	1.0
163.11191	35.5
171.39696	1.0
181.12251	6.9
227.12773	42.8
283.15396	84.3
284.15741	2.0
313.27365	76.0
314.27771	1.9
511.40936	1.2
521.38373	100.0
522.38727	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	881.381
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.9
67.05495	9.2
69.03413	4.7
69.07044	2.8
69.84674	4.5
69.85107	7.1
71.04982	3.5
73.02887	3.7
79.05477	6.8
80.05021	2.7
81.03413	13.0
81.07040	2.0
83.04992	3.7
85.02891	8.7
86.09652	1.7
87.04366	1.7
91.05489	9.0
91.69453	1.8
93.07040	13.1
94.06568	18.9
95.04942	5.6
95.07351	15.8
95.08609	4.1
96.08127	32.4
97.02891	5.7
97.06550	4.9
98.21453	1.9
103.05461	4.6
104.21084	1.8
105.07033	2.7
106.06530	3.8
107.07370	2.4
107.08553	1.9
108.04481	7.1
108.08119	41.5
109.02855	11.5
109.06507	2.0
109.08901	1.9
110.09682	56.9
119.08563	3.3
120.04459	2.5
120.08107	41.3
122.06026	20.8
122.09660	8.4
124.07555	3.9
127.03934	8.3
132.08092	2.6
134.05995	3.6
136.07588	22.8
137.05942	4.3
138.09137	80.1
144.04465	1.9
145.02823	3.9
146.06006	3.1
146.15332	1.8
147.04413	8.7
148.07574	15.5
150.09142	7.0
151.03865	2.0
152.07045	6.5
160.03943	16.1
160.07587	2.8
160.56209	1.7
162.05528	3.1
163.03920	3.7
164.07072	5.1
166.08647	52.2
172.03891	2.7
174.05457	2.3
174.09120	5.1
177.05443	5.9
178.04895	2.9
178.08633	2.7
180.10225	2.7
184.07431	1.9
186.09169	3.5
190.04924	2.3
192.06519	2.9
194.08128	1.9
197.10709	2.8
199.08640	4.1
200.06908	2.3
200.10727	2.3
204.06493	5.2
204.10097	2.1
209.10805	2.9
210.11296	2.9
211.08710	7.3
211.12325	6.8
212.09305	3.0
213.06519	1.9
213.10252	9.6
216.10194	3.4
223.08647	8.5
223.12334	5.3
224.09157	3.5
224.13020	1.9
225.10249	36.6
225.13707	2.8
226.10944	13.7
226.64059	1.8
227.11789	14.7
228.10127	1.9
230.11761	5.4
234.41687	1.8
235.08632	4.9
235.12444	2.8
236.09410	6.2
236.12895	2.3
237.10231	17.8
237.13919	4.7
238.10976	12.3
239.08185	17.0
239.11777	57.4
240.08743	3.0
240.12498	16.1
241.09612	4.2
241.13373	7.5
243.11324	2.1
244.09650	4.4
246.11298	4.6
248.09439	3.2
249.10202	14.2
250.11011	18.6
251.08159	6.5
251.11778	50.3
251.14359	2.5
252.08995	5.2
252.12483	8.4
253.09712	22.8
253.13359	40.2
254.10471	15.7
254.14117	4.4
255.11212	5.7
262.11014	2.6
263.11795	27.1
264.12524	7.7
265.09753	20.6
265.13358	47.9
266.10477	15.2
266.13931	6.9
267.11288	35.8
267.14401	3.1
268.12021	6.4
269.12952	5.0
271.10712	8.1
275.11649	3.1
277.09753	5.1
277.13312	5.1
278.10422	8.6
279.11270	30.0
280.11932	4.9
281.12845	58.3
282.10062	2.5
282.13443	4.4
283.10764	11.5
283.14081	4.4
284.11475	2.7
285.12378	22.3
286.12979	6.1
291.11356	12.5
291.14255	2.7
292.11731	2.6
293.09467	2.4
293.12775	28.7
294.13501	3.7
295.10831	4.6
295.14453	8.5
296.11267	4.1
297.12378	18.2
298.13071	6.8
299.13925	20.1
305.12704	2.5
307.10745	6.5
309.12338	45.5
310.12881	5.8
311.13870	34.5
313.11935	4.7
313.15479	5.9
319.10809	6.3
321.09155	2.1
321.12393	11.3
323.10361	3.2
323.13928	4.4
325.11856	5.1
326.12503	2.6
327.13339	30.0
328.14066	4.2
330.16144	2.1
337.11850	4.9
338.12604	3.0
339.09970	2.1
339.13290	10.1
340.14377	2.7
341.11646	2.4
341.14966	59.0
342.15369	4.8
344.13779	2.4
344.17642	2.6
351.13425	4.4
352.14194	1.8
353.15015	11.7
355.12756	2.4
357.14618	7.2
358.15372	3.5
359.16211	4.4
365.15497	2.1
367.16940	2.2
369.14471	31.1
370.15219	4.9
371.16190	15.9
372.17172	3.3
380.13199	2.0
381.14282	2.9
383.16223	3.4
395.16394	2.7
399.15469	6.2
400.16623	3.3
401.17084	5.8
407.16000	3.5
411.15540	14.6
412.16040	3.5
413.17249	9.8
414.18051	6.1
416.19901	2.9
417.14767	2.4
419.15826	4.6
423.15475	3.2
425.17142	11.7
429.16559	17.1
430.17456	4.7
431.18375	2.9
432.19193	4.4
435.15628	11.2
437.17191	5.6
440.15659	3.8
441.16397	6.3
442.17264	2.9
443.18301	21.5
444.18915	2.3
447.15451	3.0
448.18604	2.3
449.17673	2.0
453.16550	33.3
454.17337	2.7
455.18106	10.9
458.47253	1.8
460.18933	4.1
462.20123	7.2
465.16519	6.5
466.17596	2.2
469.16071	3.3
471.17517	32.1
472.18091	2.0
473.19089	3.0
474.19928	9.3
479.18381	3.5
480.21124	5.0
481.15726	4.5
482.17102	3.6
483.17676	10.7
485.18896	7.4
492.21173	12.7
495.17920	2.0
497.18857	5.7
502.19495	2.4
503.20273	9.5
506.22729	4.3
513.18567	22.2
514.19141	3.7
515.13580	3.0
515.20404	28.4
522.22266	14.2
523.23077	2.4
534.22430	20.1
546.65729	1.9
554.24316	2.6
556.20349	3.3
558.22479	2.9
562.21472	3.3
566.25043	4.1
568.20471	3.1
572.23486	2.5
574.21484	6.4
576.23181	2.6
586.22107	9.0
588.23352	23.2
592.22760	8.9
594.24512	24.4
595.25275	3.8
598.23297	2.7
600.23291	19.6
603.26019	2.6
604.22491	13.0
605.23358	3.2
606.24438	42.3
607.25092	3.8
613.26117	2.3
618.24561	36.8
624.25452	90.3
625.25732	4.1
627.27637	4.8
631.25317	3.8
632.26178	8.3
636.25476	100.0
637.25781	7.2
650.27020	3.1
664.24506	3.8
666.26312	2.3
667.27423	3.2
668.27820	6.1
684.27765	4.0
687.29694	6.3
693.28571	7.3
696.27380	3.1
703.27594	3.3
707.30670	27.7
708.30231	2.0
711.30316	3.0
721.28900	17.5
723.29980	3.7
725.31836	44.2
726.31805	2.9
727.29352	4.1
728.30157	10.7
735.29572	5.6
739.29242	7.0
741.30762	3.8
743.32953	13.5
753.31219	44.7
757.30469	7.6
759.31177	2.3
761.33478	3.1
771.32129	17.6
773.30481	5.3
789.33917	15.4
797.35449	2.4
878.55927	2.1
881.40417	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	8.2
69.03424	9.3
69.07093	2.4
70.12311	13.2
71.04987	2.8
72.94394	2.5
73.06571	3.5
73.87228	2.9
77.03927	3.1
79.05489	11.0
80.05012	4.8
81.03414	20.4
81.07059	4.3
82.06604	3.2
83.08588	2.9
85.02892	10.9
86.09696	4.2
91.05473	11.2
93.05807	5.7
93.07032	18.4
94.06567	27.5
95.04967	10.3
95.07329	16.7
95.08615	6.0
96.08129	34.7
97.02875	9.1
97.06527	6.9
101.06042	4.4
104.10743	3.1
105.07034	4.1
106.06522	2.5
107.04968	4.7
108.04480	10.3
108.08122	52.0
109.02856	6.6
110.08921	2.9
110.09681	59.0
111.04393	3.5
119.08617	2.7
120.08104	42.8
121.06475	3.7
122.06030	31.8
122.09713	6.3
123.06815	2.9
124.07619	4.8
127.03927	10.5
132.04495	3.5
133.10104	2.6
134.06006	8.2
136.07591	33.8
137.05975	8.1
138.09142	73.6
145.02879	3.5
146.06024	6.3
147.04410	9.0
148.07579	21.4
150.09152	10.8
152.07063	9.3
160.03949	17.7
160.07613	3.3
162.05452	3.8
164.07072	7.9
166.08646	74.1
172.03902	5.4
172.11388	2.9
174.05478	5.9
174.09151	5.6
176.07066	3.9
177.05455	8.0
178.05029	4.8
178.08621	3.9
183.27122	2.5
184.07344	9.1
190.04965	5.0
192.06596	5.6
199.08696	7.7
204.06554	5.4
210.11473	3.1
211.08675	10.4
211.12369	9.6
212.09320	6.7
213.10242	9.6
216.10197	4.8
218.08177	3.4
223.08676	15.4
223.12369	6.4
224.09297	4.9
225.10263	42.9
225.13718	4.9
226.11060	23.9
227.11815	24.5
234.11337	2.8
235.08656	6.3
235.12218	5.6
236.09300	2.8
237.10275	21.5
237.13931	9.2
238.10985	18.9
239.08176	27.5
239.11804	70.5
240.12459	16.5
241.09813	6.0
241.13327	10.5
244.09715	3.6
246.11282	6.4
248.09364	3.9
249.10300	17.8
249.14005	3.9
250.11012	22.9
251.08115	10.8
251.11787	64.8
252.08975	4.6
252.12509	12.9
253.09698	24.7
253.13373	61.0
254.10527	23.8
254.13522	5.2
255.11160	5.8
261.10120	2.8
262.11011	3.7
263.11853	40.0
264.08783	4.0
264.12527	9.9
265.09787	22.3
265.13367	62.8
266.10440	18.3
266.14023	7.5
267.11301	45.9
267.14572	5.7
268.11963	8.8
269.12912	6.9
271.10770	9.7
275.11758	3.5
277.09763	7.9
277.13123	3.2
278.10611	12.4
279.11255	47.7
280.12140	14.5
280.14713	2.7
281.09741	6.4
281.12860	80.7
282.13455	5.4
283.10779	13.7
283.14499	5.9
284.11615	4.9
285.12341	37.7
286.13098	9.3
291.11365	15.2
292.11972	4.0
293.12817	38.3
294.13391	4.6
295.10977	5.8
295.14426	12.6
296.11581	10.4
297.12289	25.9
298.13095	10.5
299.13922	24.5
303.11182	3.6
305.12881	4.6
307.10825	11.1
309.12338	61.6
309.15750	5.3
310.12891	11.0
311.10263	4.0
311.13879	44.6
312.14542	4.7
313.15442	10.8
314.12894	3.4
319.10696	8.9
320.11523	4.3
321.12289	19.6
323.10229	2.9
323.13882	7.3
325.12112	5.4
325.15601	5.8
326.12573	3.0
327.13391	47.8
337.11789	7.0
338.12332	3.3
339.13116	18.0
341.14975	81.2
342.15701	4.6
351.13458	8.1
353.14777	17.0
355.16522	4.3
357.14590	9.2
358.15347	5.0
359.16000	4.6
365.15222	4.2
369.14410	39.1
370.15054	5.4
371.16040	18.6
372.17114	6.4
381.14178	4.3
382.15588	3.3
383.15985	6.2
386.18997	3.6
388.16434	3.6
395.15671	3.8
399.15533	7.1
400.16382	4.0
401.17056	3.2
407.15860	9.2
411.15305	20.1
412.16385	4.1
413.16956	12.5
414.17960	5.7
416.19904	4.4
419.16229	5.4
423.15808	4.5
425.17279	19.7
429.16553	18.9
430.17392	8.6
432.19052	6.3
435.15396	15.6
437.17139	9.0
441.16519	8.3
442.17123	5.5
443.17984	22.8
444.18817	4.9
446.21021	5.4
447.15494	4.0
453.16519	48.6
454.16830	5.9
455.18079	11.6
460.18680	7.4
462.20026	8.5
463.14807	4.8
465.16583	10.4
467.18036	6.7
471.17651	47.4
472.18176	4.3
473.19052	9.4
474.20129	14.8
480.21274	4.9
481.15707	5.8
483.17529	7.9
485.19116	12.7
490.19757	4.4
492.21262	21.6
494.22675	3.4
497.19278	11.5
503.20300	11.1
506.22684	4.1
513.18414	14.8
515.20313	25.9
516.20837	4.7
522.22284	12.8
528.21198	3.4
534.22156	18.0
542.23700	3.9
556.20605	7.8
558.22418	6.1
568.20709	3.8
572.24011	4.9
574.21790	13.4
576.23041	4.9
586.21814	15.5
588.23535	31.8
592.22791	16.4
594.15875	4.6
594.24530	49.9
595.24829	7.6
600.23419	30.0
601.22900	3.9
602.24915	3.8
603.25751	7.6
604.22467	15.2
605.26947	3.1
606.24445	60.5
607.24359	4.9
608.25769	3.4
618.15436	4.7
618.24500	48.8
624.25537	95.6
625.25970	6.0
627.28131	6.1
631.25018	7.7
632.26611	13.5
636.25500	100.0
637.26093	5.8
650.26868	8.8
654.26318	6.5
664.25256	9.5
667.27258	9.9
668.27734	9.0
675.28308	5.8
687.29913	4.4
693.28741	9.9
694.29602	7.1
695.30676	3.3
703.27264	5.0
707.30627	31.6
708.30963	5.4
711.29773	5.1
721.28668	34.7
725.31818	97.1
726.32953	17.0
735.29742	10.3
735.42133	3.3
739.29767	17.6
743.33258	26.3
753.31342	67.8
754.31409	4.8
757.30347	11.8
761.33606	8.5
771.32727	24.5
772.32043	4.7
789.34082	19.4
879.44952	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	879.402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	2.2
67.05516	13.1
69.03430	6.2
69.34167	27.2
73.02891	2.2
73.06554	5.8
77.25063	2.5
78.10669	2.3
79.05489	12.4
80.05029	2.8
81.03423	15.9
81.07069	4.1
82.06580	4.5
83.04967	2.8
85.02901	6.3
86.09696	3.0
91.05485	9.2
93.07046	16.5
94.06573	26.5
95.04962	8.6
95.07347	16.5
95.08607	7.3
96.08136	28.0
97.02901	7.0
97.06525	3.6
103.05468	3.6
105.07042	5.6
106.06576	4.2
107.04958	4.0
108.04492	12.6
108.08115	42.7
109.02882	12.1
110.09689	53.0
116.48521	2.2
120.08102	44.7
121.06517	3.2
121.10123	3.1
122.06039	27.5
122.09663	11.0
123.06824	3.1
123.71317	2.4
124.07604	4.9
127.03915	9.4
131.04974	2.5
131.08589	3.5
132.08113	3.1
134.05991	5.7
135.04346	2.9
136.07565	27.5
137.05971	5.4
138.09149	71.5
144.08147	2.7
145.02840	6.3
146.05978	3.4
146.09631	2.7
147.04401	5.9
148.07536	18.5
150.05466	3.0
150.09158	10.7
152.07039	9.3
158.09688	3.0
160.03954	21.4
160.07530	2.5
160.11333	2.3
163.03937	4.5
164.07059	7.5
166.08653	72.9
172.03998	4.8
172.07526	2.6
174.05510	3.3
174.09116	2.9
176.07138	3.8
177.05458	8.9
178.05026	3.9
178.08743	2.4
178.80377	2.8
180.10161	3.7
184.07428	5.2
188.10786	3.9
192.06540	3.9
197.10710	3.4
198.09329	2.8
198.11464	3.8
198.86266	2.3
199.08684	4.9
199.12370	2.8
200.10661	2.8
204.06641	7.7
204.10208	3.9
206.08127	2.5
210.09224	2.6
210.11304	2.3
211.08684	9.6
211.12332	8.9
212.09337	2.6
212.13028	3.2
213.10158	13.1
214.08719	3.6
216.10275	6.1
221.10779	2.5
222.24490	2.4
223.08669	11.2
223.12354	5.7
224.09462	4.8
225.06488	2.3
225.10236	45.1
225.13728	5.5
226.09027	3.1
226.10939	17.0
227.11777	19.3
232.09604	4.1
234.11485	4.1
235.08667	5.2
235.12294	4.7
236.09309	5.4
237.10274	28.9
237.13927	7.1
238.10878	16.7
239.08162	21.9
239.11790	66.3
240.12498	18.2
241.09636	6.4
241.13348	8.1
244.09752	5.2
246.11302	5.9
249.10185	17.9
250.10979	17.6
251.08180	11.0
251.11792	67.6
251.14413	3.5
252.12581	14.7
253.09721	25.4
253.13374	56.2
254.10530	23.0
254.13768	4.3
255.11232	4.9
262.11029	3.9
263.11823	32.7
264.09045	4.8
264.12534	11.0
265.09756	25.0
265.13367	65.4
266.10559	15.4
266.13995	12.1
267.11304	41.2
267.14990	7.7
268.11945	9.0
269.12775	6.0
271.10727	8.0
275.07043	6.6
275.11713	3.0
276.12772	3.4
277.09763	8.9
277.13174	5.3
278.10599	11.0
279.11298	34.6
279.52896	2.7
280.11987	12.8
281.12833	75.3
282.13535	4.1
283.10788	12.6
283.14218	4.0
284.11569	7.1
285.12329	30.7
286.12973	6.9
291.11334	17.5
292.11987	7.2
293.12796	34.2
294.13446	5.8
295.10693	8.3
295.14362	12.7
296.11725	5.2
297.12296	24.0
298.13138	7.3
299.13937	33.2
307.10913	11.2
307.14139	2.8
309.12323	62.0
310.12988	8.6
311.10599	2.1
311.13898	46.9
312.14246	6.5
313.15613	6.3
319.10889	11.5
319.14130	2.7
321.12320	21.2
323.10410	3.6
323.13983	6.5
325.11734	7.6
325.15469	3.6
326.12805	3.8
327.13464	42.4
328.14050	2.7
330.16058	2.7
337.11722	9.7
337.15347	2.6
338.12991	3.7
339.13437	17.6
340.14005	3.2
341.14975	72.0
342.15720	3.2
344.13898	3.8
351.13373	8.8
353.15088	15.4
355.12836	3.8
356.13794	4.3
357.14529	9.7
358.15366	4.2
359.16110	6.6
369.14413	38.3
370.15344	6.7
371.16022	26.4
372.17017	5.7
381.14627	4.9
383.15997	8.7
393.14520	6.2
395.16031	2.9
396.69223	2.6
397.17911	2.9
399.15686	5.1
400.16388	3.1
401.16965	3.1
407.16089	4.9
409.17407	5.0
411.15704	23.4
413.17099	16.0
414.17929	7.9
416.19687	6.3
418.17728	5.4
419.16177	3.7
420.19116	4.0
424.15851	3.3
425.17133	19.2
429.16336	16.2
430.17700	6.7
431.18402	3.6
432.19156	7.9
434.20587	4.6
435.15784	16.8
435.20786	4.1
437.17102	7.9
441.16467	10.3
442.17389	4.4
443.18326	13.8
444.18808	4.8
446.21191	4.7
447.15436	4.1
452.15268	2.6
453.16562	51.1
454.17957	4.4
455.18094	12.5
460.18552	4.4
462.20065	7.6
463.15036	5.0
465.16611	9.2
467.17816	7.6
471.17572	43.1
472.18527	4.5
473.19284	6.5
474.20099	13.9
479.18030	4.1
480.21170	6.8
481.15894	4.8
482.16617	4.7
483.17612	9.8
485.19266	11.7
492.21237	20.9
495.17661	4.1
497.19373	12.1
498.20294	3.0
502.19617	3.6
503.20175	10.7
504.21201	4.0
506.22769	9.0
513.18768	18.8
514.19476	2.9
515.20392	21.3
516.21338	2.7
522.22461	18.9
528.20728	3.4
534.22308	17.7
556.20734	9.3
562.21710	4.5
568.20850	4.8
570.22369	4.1
574.21588	10.8
576.22961	5.6
585.24878	2.8
586.21417	19.5
588.23370	34.7
592.22772	16.5
594.24579	57.7
595.24756	7.3
600.23352	30.9
602.24573	3.5
603.25385	10.6
604.22833	15.1
605.25909	3.2
606.24548	53.6
607.24249	4.8
618.24628	42.1
619.24512	4.8
624.25464	87.4
625.25616	3.2
627.27710	5.2
631.25140	6.9
632.25751	12.5
636.25580	100.0
637.25616	7.0
649.27417	2.7
650.26514	7.0
664.24652	10.5
675.27551	6.8
693.29388	17.3
694.29852	4.8
703.27161	8.5
707.30902	38.7
708.31482	3.7
711.29987	10.8
721.28857	30.3
725.31824	98.5
726.32452	16.8
735.30878	11.6
739.29883	17.2
743.32648	28.7
753.31287	71.4
754.31360	6.8
757.30627	13.3
761.33630	5.4
771.32184	22.9
772.31531	3.5
789.33008	18.2
861.38239	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	879.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34113	3.7
65.35941	3.6
65.56731	3.2
67.05486	12.2
69.03418	7.1
69.07067	5.0
74.96926	4.0
79.05476	15.4
81.03419	20.9
82.06586	3.7
85.02890	12.5
91.05492	18.7
93.07022	15.6
94.06573	21.0
95.04967	11.7
95.07343	14.8
96.08131	18.2
97.02862	10.3
97.06544	4.9
98.21497	11.2
102.28340	3.9
103.05455	4.9
105.06995	6.8
107.04965	4.4
108.04456	6.5
108.08122	51.6
109.02869	20.0
110.09686	48.7
117.07008	5.1
119.08585	7.0
120.08089	39.5
121.06487	5.7
122.06006	27.7
122.09613	5.1
127.03907	17.6
131.08618	5.0
134.05968	10.0
136.07559	34.1
137.06018	9.0
138.09140	75.1
145.02783	5.0
145.10133	7.0
146.09668	3.7
147.04379	8.3
148.07544	22.5
150.09138	10.7
151.07588	3.9
152.07047	6.4
158.10587	3.5
160.03935	18.3
162.05493	5.7
163.03879	8.5
164.07045	7.7
166.08643	66.0
172.03951	6.8
172.07587	4.3
174.09198	4.8
177.05438	13.8
178.04976	6.9
184.07326	8.8
186.09094	4.1
190.05052	5.2
198.09079	9.4
199.08609	4.8
204.06564	10.6
208.09653	4.4
211.08617	8.7
211.12209	9.2
212.09154	5.7
213.06575	3.8
213.10240	11.4
215.11826	11.5
216.10126	4.9
223.08675	14.0
223.12254	9.1
224.09134	6.0
224.12936	4.6
225.10213	36.9
225.13808	6.0
226.08940	6.2
226.10851	21.2
227.11745	17.9
232.09714	5.2
235.08446	4.3
236.09430	10.6
237.10361	20.2
237.13863	9.4
238.10986	15.5
239.08192	20.3
239.11800	63.3
240.12381	22.4
241.09758	4.2
241.13274	8.1
243.11253	32.7
249.10187	14.0
250.10963	16.7
251.08133	11.7
251.11819	57.4
252.08975	6.2
252.12527	13.1
253.09639	23.4
253.13423	40.8
254.10468	21.5
254.13676	6.6
255.11131	6.3
263.11713	34.3
264.12387	13.1
265.09720	19.2
265.13318	54.6
266.10458	18.1
266.13904	8.4
267.11249	42.8
267.14276	5.8
267.14783	4.9
268.11868	6.0
271.10754	7.7
275.11670	6.0
277.09875	7.1
277.13107	4.8
278.10452	11.4
279.11285	42.9
280.11963	10.1
281.12839	62.7
283.10733	16.4
283.14008	5.5
284.11688	6.9
285.12326	81.4
286.12952	11.2
289.13327	5.3
291.11115	10.9
292.11948	6.0
293.12729	32.7
294.13535	5.8
295.10794	4.9
295.14249	8.0
297.12445	19.7
298.12857	8.8
299.13916	24.0
307.10788	6.4
309.12308	59.2
310.12714	7.0
311.13849	41.7
312.14337	8.8
313.15460	6.3
319.10922	7.1
321.12201	17.4
323.13779	10.5
325.11804	11.3
327.13330	37.8
328.14590	5.9
330.16006	4.8
337.11627	6.6
338.12585	4.5
339.13394	13.9
341.14954	63.7
353.14984	17.2
354.15555	4.4
357.14352	7.6
358.15552	5.8
359.15988	6.2
363.83530	3.9
369.14383	31.0
370.15079	6.4
371.15979	21.1
381.14145	6.2
382.15128	4.6
393.14551	5.6
395.16162	5.8
407.16232	5.8
411.15588	29.1
412.16342	5.1
413.16913	11.4
414.18091	5.5
416.19794	5.8
425.16885	13.0
429.16696	25.8
430.17426	5.4
435.15475	17.5
437.17007	8.3
441.16412	5.7
442.17657	4.9
443.18015	17.4
444.19012	5.0
447.17068	11.7
453.16580	49.9
455.17957	14.6
460.18802	5.6
462.20303	7.2
465.16479	8.8
467.17862	8.3
470.16995	5.1
471.17459	39.6
472.18573	4.7
473.18954	8.1
474.20197	8.3
480.21426	7.1
481.15753	3.9
483.17438	9.9
485.18881	10.4
492.21106	19.9
497.18842	7.3
501.18985	5.0
503.19775	5.3
506.22522	5.1
513.18555	15.6
515.20117	15.6
522.22327	17.9
523.22443	5.6
530.22473	5.9
534.22302	19.5
556.20898	10.9
562.22003	5.7
568.20367	6.5
574.21466	10.7
586.21753	18.4
588.23578	26.1
589.23547	6.2
592.22797	14.9
593.04480	4.8
594.24408	43.1
595.24335	7.1
600.23322	21.7
604.22797	12.7
606.24487	58.6
618.24377	47.9
619.24670	5.9
624.25397	99.2
627.27521	5.6
631.24792	8.5
632.25531	10.1
636.25446	100.0
637.25903	6.5
649.26343	6.9
654.26776	7.0
664.24689	12.1
666.26178	4.8
667.27148	10.3
668.27850	8.8
687.30493	6.2
693.28375	13.8
694.29694	6.8
703.27435	8.8
707.30713	31.1
711.29468	6.1
721.28705	29.9
725.31689	77.3
726.32715	18.3
735.29028	7.8
739.29321	17.0
743.32672	27.2
753.31360	65.4
755.31818	5.6
757.30463	15.3
771.32367	32.7
789.32965	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.7
65.03949	2.1
67.05508	22.5
69.03428	3.5
69.07071	7.4
70.06617	0.8
71.05000	2.8
71.58508	1.0
73.02934	3.1
73.30460	0.8
77.03936	1.3
79.05494	23.0
81.03420	17.5
81.07058	19.6
83.04984	3.1
83.08615	5.6
85.02910	7.4
85.06569	0.9
86.09708	1.5
87.04460	0.7
91.03976	3.2
91.05484	29.6
93.07049	23.6
95.04970	9.0
95.05479	1.0
95.08607	12.0
95.49502	0.7
97.02902	6.2
97.06548	3.1
97.10181	1.7
99.04463	1.1
99.08142	0.8
101.02375	1.2
103.05492	1.8
105.07034	21.7
107.04974	4.6
107.08593	11.6
107.09269	0.9
109.02898	1.0
109.06544	3.1
109.10156	5.9
111.04438	0.7
111.08096	2.0
115.05466	2.5
117.07038	7.5
119.04926	3.9
119.08595	15.2
120.95152	0.6
121.06535	2.7
121.10150	8.6
123.04431	7.4
123.08126	1.0
123.11739	1.2
125.00061	0.9
125.09731	0.9
127.03959	1.5
128.06281	2.0
129.06990	5.5
131.05025	2.0
131.08582	11.8
133.06468	3.7
133.10133	11.9
134.06046	0.9
135.04433	4.2
135.08098	2.1
135.11690	3.6
136.06183	1.0
137.05981	26.0
141.07066	0.8
142.07813	1.1
143.08632	2.9
145.06474	4.2
145.10127	5.5
147.04376	4.8
147.08066	3.1
147.11682	7.1
149.05989	5.6
149.09612	5.2
149.13324	1.4
150.05637	0.8
151.07700	0.9
151.11281	0.8
154.08627	1.0
155.08591	1.5
157.06592	2.8
157.10139	5.2
159.08112	2.3
159.11732	3.3
160.05341	0.8
161.05974	8.8
161.13353	2.2
163.07549	5.2
163.11122	0.9
164.07170	1.3
165.05406	1.1
165.12814	1.5
166.08714	1.2
169.06506	1.2
169.10257	1.1
171.08127	2.2
171.11725	2.3
173.05965	6.6
173.13292	1.7
175.07584	5.4
175.11188	3.5
175.14839	1.3
177.05527	0.8
177.09151	1.2
181.06580	1.1
183.08154	1.4
184.07423	3.1
185.13274	1.2
187.07532	4.8
189.05637	0.8
189.09129	2.9
191.07082	1.3
193.12271	6.2
195.08202	1.0
195.13776	0.7
197.06050	0.9
197.09700	1.0
199.07660	3.3
201.09184	2.7
209.09692	1.2
211.07603	1.2
211.13338	3.3
213.09151	1.8
215.10669	1.2
223.11205	0.9
225.09183	0.9
227.10783	0.8
243.13774	0.9
249.12630	1.0
251.11169	0.8
257.15302	3.7
259.20648	2.3
267.16248	0.9
285.14798	3.6
292.65488	0.8
300.16183	0.8
301.18521	0.8
302.17474	6.0
303.16016	2.4
311.16586	2.8
328.19046	1.7
329.17404	5.7
333.16983	1.5
333.24454	3.4
344.18579	1.3
346.20294	5.4
358.20261	0.9
376.21317	1.3
402.22964	1.7
420.23804	3.5
438.25143	0.9
517.31482	1.4
523.70923	0.8
533.25995	0.8
582.29596	0.9
678.43420	4.1
679.42249	2.1
696.44708	82.8
697.45068	3.6
714.45117	2.2
774.45819	1.3
778.56750	0.9
804.47406	1.1
822.47974	2.3
840.48328	5.2
858.49969	100.0
859.50018	5.1
876.51569	5.2
877.49359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.8
61.90001	1.6
65.03933	3.9
67.05505	89.1
69.03441	13.2
69.07066	59.3
71.01338	2.0
71.04992	18.6
71.58206	1.8
73.02922	3.3
79.05493	81.0
81.03424	26.0
81.07057	100.0
83.01387	2.2
83.04989	19.8
83.08619	20.3
85.02915	9.7
85.06538	5.3
86.09683	2.8
91.05483	70.9
92.05800	2.2
93.07043	73.1
95.04968	21.9
95.08612	46.9
97.02886	11.0
97.06532	59.5
97.10175	21.6
99.04446	3.1
99.08087	6.5
103.05453	3.3
105.07035	50.4
107.04945	19.1
107.08593	52.6
109.02857	4.3
109.06519	21.3
109.10162	29.7
111.04418	7.1
111.08083	12.2
113.05977	2.2
115.05438	3.4
115.07571	12.8
117.07017	26.9
119.08586	40.4
121.06526	12.5
121.10157	21.9
123.04423	2.8
123.08052	14.4
123.11678	7.1
125.09627	15.2
127.03903	5.8
127.07565	2.9
128.06227	4.5
129.07010	14.5
130.07780	3.3
131.04831	1.9
131.08569	28.7
133.06508	6.7
133.10136	42.3
135.08052	13.2
135.11664	14.9
137.09604	8.2
141.06981	3.9
142.07755	3.4
143.08562	11.7
145.06479	5.5
145.10120	26.6
147.08028	6.5
147.11678	17.5
149.05954	1.9
149.09644	16.8
149.13268	12.0
151.11150	5.0
153.09064	2.3
155.08546	6.8
157.10112	10.2
159.08061	3.8
159.11714	18.4
161.05981	2.7
161.09593	7.9
161.13293	5.9
163.11201	13.2
165.09045	2.3
167.08583	2.1
169.10123	4.4
171.11729	7.4
173.04469	2.5
173.09622	4.8
173.11792	2.9
173.13301	6.0
175.11198	6.2
175.14854	2.2
177.12708	8.3
179.14275	4.9
181.10098	4.3
181.12244	4.9
183.11710	5.5
184.07394	7.8
185.09616	2.6
185.13298	5.2
187.11136	3.6
189.11221	12.6
189.12721	2.6
191.10663	2.2
191.14282	2.6
193.12259	2.6
195.11813	3.1
195.13797	7.1
197.13260	4.0
199.14795	3.7
203.14195	2.5
205.12265	2.9
211.14882	3.1
217.15804	4.8
221.15317	2.0
223.13123	3.3
227.12756	20.2
227.17964	3.1
229.14299	7.7
229.19502	2.2
235.16774	2.4
245.13901	2.4
245.19087	4.1
253.14305	8.7
255.16017	5.8
257.18973	6.4
267.15765	2.0
269.17456	32.8
273.18497	31.1
275.20041	35.9
283.15240	2.1
289.17889	3.5
290.84708	2.0
291.19568	42.4
293.21188	2.6
307.18878	1.9
309.20728	3.1
315.19385	1.8
331.22873	3.8
333.24350	2.1
347.22168	12.2
349.23737	24.8
357.20255	2.2
365.23251	25.0
366.40247	1.6
367.24948	4.5
383.24319	5.9
384.08936	1.8
431.28299	2.1
463.30637	4.6
477.29291	2.1
519.33228	16.4
525.35779	2.6
541.35266	10.0
543.36914	14.3
545.34735	6.7
557.34747	2.3
559.36365	26.9
563.35944	4.0
577.37665	9.0
581.38892	2.1
614.36774	2.1
621.41394	8.7
639.42413	16.2
657.43097	7.7
703.40643	2.6
710.45422	2.6
872.51617	8.3
887.44379	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.4
66.04712	0.4
67.05492	0.1
69.03429	0.2
70.63992	0.1
70.64334	0.1
75.05930	0.1
77.03935	0.2
78.04704	0.5
79.05495	1.3
81.03407	0.2
81.07051	0.4
89.03909	0.2
91.05477	2.3
91.53719	0.1
93.07031	0.2
94.04185	2.0
95.04961	0.8
102.04662	0.1
103.05463	4.1
105.03387	0.2
105.04491	0.1
105.07026	1.5
106.04191	0.1
107.04948	5.2
109.06524	0.4
111.04421	0.1
115.05443	1.4
116.06235	0.1
117.07008	2.7
118.04156	0.3
119.04935	1.6
119.08593	0.1
121.06471	0.5
122.03639	4.9
123.04424	1.2
124.05233	0.7
125.05987	0.2
128.06203	0.6
129.06987	0.7
129.08633	0.1
130.04118	0.1
131.04924	9.7
131.08519	0.3
132.02127	0.1
133.02838	0.2
133.06494	1.5
134.03535	0.1
135.04419	1.4
135.07944	0.1
136.05205	0.3
137.05969	100.0
138.06303	1.2
141.06987	0.6
142.07709	0.1
143.04909	0.3
143.05981	0.1
143.08574	0.4
144.05667	0.7
145.02869	0.1
145.04001	0.2
145.06476	4.4
146.03625	0.2
147.04401	1.3
147.08044	0.4
148.05168	0.3
149.02251	0.1
149.05911	0.4
149.09656	0.1
151.03873	0.3
151.07529	1.0
152.04680	0.5
152.06165	0.2
153.05475	0.5
153.06978	0.9
154.07764	0.2
155.04951	0.1
155.06017	0.2
155.07195	0.1
155.08554	2.5
156.05676	0.3
157.06483	0.6
157.10100	0.1
158.07275	0.1
159.04385	0.1
159.08051	0.7
160.05223	0.4
161.05972	2.4
162.06775	0.2
163.03900	3.5
163.07533	15.0
164.04567	0.1
164.07901	0.2
165.05473	0.3
165.06978	0.4
165.09143	0.5
166.06236	0.2
167.07030	27.5
168.05710	0.1
168.07396	0.2
169.06488	0.3
170.07283	0.2
171.07993	0.8
172.05190	0.2
173.05981	1.1
173.09595	0.1
174.06778	0.5
175.02574	0.0
175.03911	1.9
175.07535	2.2
176.04669	0.3
177.05565	0.8
177.09096	6.9
178.06128	0.1
178.09428	0.1
179.07021	2.0
181.04951	0.1
181.06400	0.6
181.08617	0.3
182.07269	0.1
183.08040	3.4
184.05272	0.1
184.08797	0.1
185.05995	0.1
185.09601	0.2
186.06712	0.1
187.07541	2.8
188.08212	0.2
189.05435	0.1
189.09099	1.2
190.06230	0.3
191.07022	2.8
192.04214	0.1
192.07701	0.1
193.08601	9.9
194.08971	0.1
195.06534	2.7
195.08072	0.1
195.10197	0.1
197.08047	0.2
198.06880	0.1
199.07529	1.4
200.08310	0.6
201.09119	0.6
203.06926	0.3
203.10619	0.7
204.07690	0.1
205.08588	6.8
206.08913	0.1
207.06516	3.4
207.10088	1.0
209.08092	1.0
211.07567	0.3
213.09111	1.2
214.09935	0.7
215.10661	11.9
216.07849	0.1
216.11096	0.1
217.08533	0.6
217.10037	0.1
217.12097	0.1
219.10139	3.7
220.10484	0.1
223.09418	0.1
225.07472	0.5
229.12265	0.1
231.10146	7.8
232.08528	0.1
232.10585	0.1
233.11710	0.4
235.07491	0.1
235.09602	0.8
241.08536	0.1
243.10249	0.1
245.11723	0.4
247.07582	0.1
247.11168	0.1
249.09030	0.1
249.11215	0.6
253.10683	0.9
255.10184	0.2
260.08405	0.1
261.11319	0.2
263.07187	0.1
263.10641	0.1
264.07687	0.1
265.08578	0.1
267.09888	0.1
267.12286	0.4
271.07318	0.1
274.11981	0.2
275.10678	0.2
277.08597	0.2
277.12051	0.1
278.09488	0.1
279.06577	0.1
279.10086	0.1
281.11688	0.1
283.09637	0.1
285.11450	0.2
292.10910	0.1
292.83392	0.1
293.08014	0.1
294.08896	0.2
295.09650	0.2
303.09927	0.3
305.08115	0.1
305.11508	0.2
307.09891	0.1
307.13303	0.3
309.11124	0.2
309.14569	0.1
315.12256	0.7
321.11334	0.1
324.13559	0.2
325.10669	0.1
326.11536	0.1
327.12296	0.2
335.12759	1.2
336.13321	0.1
337.10666	0.1
337.14264	0.5
339.12369	0.1
339.15918	0.3
341.13882	0.5
345.13449	0.1
351.15634	0.2
353.14081	0.1
353.17496	1.8
355.15268	0.2
367.15387	9.9
368.15811	0.2
369.16965	11.9
370.17194	0.3
371.14822	0.7
385.16449	6.3
386.16699	0.2
393.16986	0.3
395.14880	0.1
397.16458	0.2
403.17471	0.3
411.17981	0.2
413.19583	0.4
423.18106	0.1
427.17700	0.5
515.20422	0.2
529.22205	0.1
547.23260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71075	3.8
67.05492	17.0
69.03420	9.7
69.07057	6.5
70.84792	10.9
71.04996	8.0
73.02884	6.0
79.05470	10.6
81.03420	21.0
81.07042	4.4
81.31187	3.9
83.04974	4.5
85.02882	16.8
86.09673	5.4
91.05470	13.9
93.07037	17.0
94.06574	24.1
95.04954	9.4
95.07377	18.3
96.08126	37.4
97.02886	11.4
97.06503	5.9
105.07032	8.5
107.04965	5.5
107.08606	7.0
108.04457	8.1
108.08104	39.7
109.02863	8.4
109.10159	10.3
110.09679	59.8
110.47327	4.9
111.04427	4.5
118.06538	3.6
119.04907	5.1
120.08101	42.2
122.06049	26.3
122.09653	8.1
127.03897	9.5
127.20078	3.7
129.05516	5.7
131.04829	4.2
133.10114	4.5
134.05991	6.5
134.27841	4.0
136.07588	27.6
137.05942	6.7
138.09129	85.9
145.02866	11.6
147.04350	8.4
148.07541	16.9
148.77007	3.7
150.09102	12.5
152.07059	6.4
160.03922	23.8
160.07513	4.3
162.05495	4.4
162.17625	4.1
163.03964	5.3
166.08638	69.6
172.07591	3.9
177.05449	9.8
178.05119	4.5
181.05000	3.7
184.07385	7.7
192.06526	6.6
200.07123	4.3
204.06541	8.8
210.11592	4.3
210.47351	4.0
211.08630	11.6
211.12303	8.5
213.10245	11.0
222.11270	5.2
223.08598	9.0
224.09361	4.4
225.10217	41.3
225.13768	5.5
226.08990	4.5
226.10962	20.8
227.11737	17.9
235.08456	4.6
236.09245	7.2
237.10147	21.1
237.13904	5.7
238.10796	18.9
239.08163	28.0
239.11746	67.6
240.12628	18.7
241.13335	7.6
244.09756	5.8
249.10228	17.3
250.11008	17.6
251.08102	8.0
251.09059	5.9
251.11797	65.1
252.08972	8.2
252.12523	19.8
253.09721	25.4
253.13365	56.5
254.10477	23.8
263.11816	38.7
264.12515	7.5
265.09726	27.1
265.13318	64.8
266.10504	21.0
266.13892	8.5
267.11252	46.5
267.14230	6.0
268.11865	8.5
269.12784	10.5
271.10806	11.3
275.11615	4.9
277.09668	4.7
277.13409	5.7
278.10440	8.7
279.11325	41.9
280.12030	7.2
281.12866	71.0
282.13730	4.9
283.10760	12.8
283.14255	5.5
284.11453	6.7
285.12390	30.5
286.13000	10.5
291.11298	13.1
293.09573	7.1
293.12790	37.5
295.10956	9.1
295.14450	10.4
297.12225	22.9
298.13062	8.4
299.13940	34.2
307.10718	8.4
309.12317	60.1
310.12903	6.6
311.13937	46.0
313.15503	12.5
319.10770	7.1
321.12296	17.5
325.11847	5.9
327.13434	50.9
337.11707	6.3
338.12497	4.8
339.13397	15.9
341.14972	71.6
342.15631	5.4
345.70013	4.4
351.13373	4.9
353.15067	18.6
357.14301	6.9
358.15045	5.6
359.15817	4.6
369.14435	31.2
371.15933	24.9
383.15616	6.6
401.17422	5.1
407.15930	6.4
411.15567	19.2
413.17035	12.0
414.18069	7.0
418.17496	4.2
423.15167	6.1
425.16983	14.2
429.16403	15.0
430.17831	5.8
432.19177	9.2
435.15305	19.2
437.17065	10.8
441.16217	4.0
443.17987	18.5
448.18854	4.6
451.14764	6.4
453.16498	59.4
455.18237	6.4
460.18475	8.6
462.20261	7.0
465.16586	10.2
467.17566	7.1
469.16031	6.0
471.17700	41.8
472.17828	7.5
474.20694	8.4
480.20825	5.9
481.15683	4.4
483.17438	8.7
485.19016	13.7
492.21246	20.1
495.17477	8.0
497.18976	7.7
503.20041	8.8
506.22763	9.1
513.18634	9.9
515.20209	22.1
522.22235	20.0
534.22272	21.7
542.22382	4.3
556.20093	7.3
574.22052	19.6
586.21545	17.7
588.23596	40.6
589.23688	8.4
592.22913	14.7
594.24542	42.6
600.23395	27.3
603.25415	8.9
604.22961	21.2
606.24463	87.9
614.25250	4.5
618.24408	51.7
619.25024	4.6
624.16187	5.3
624.25562	88.9
625.25500	9.0
631.25244	7.1
632.25378	14.1
636.25513	100.0
637.25317	7.9
640.25323	4.3
649.25995	6.2
650.26154	7.8
664.24261	10.5
668.27704	12.9
675.27612	6.0
676.29187	4.9
680.27625	14.0
693.28845	14.0
703.26959	6.8
707.30597	38.3
711.30243	7.5
712.30298	17.8
721.29016	26.5
725.31738	90.7
726.31647	5.5
735.29700	14.1
739.29749	21.3
743.32880	20.7
753.31244	69.5
754.30804	8.2
757.30444	12.7
771.32434	22.9
789.33020	14.2
847.37573	7.5
865.39349	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	865.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.3
67.05503	8.5
69.03426	6.0
69.07053	1.6
71.04980	1.9
72.88281	1.4
73.02922	1.9
74.64249	1.3
79.05515	7.5
80.05007	4.0
81.03424	13.3
81.05802	1.7
81.07081	2.9
82.06593	4.2
83.04980	1.9
85.02899	9.3
87.04467	2.5
91.05502	9.6
93.05791	4.1
93.07063	16.3
94.06561	22.5
95.04965	6.4
95.07361	13.5
95.08599	4.2
96.07549	2.5
96.08133	34.0
97.02879	6.2
97.06533	5.7
99.04444	2.1
103.05452	2.5
105.07024	3.0
106.06589	2.0
107.04928	1.9
107.08559	1.8
108.04481	10.3
108.08127	46.7
109.02885	8.0
109.08886	2.3
110.09689	56.3
114.34092	1.5
118.06551	2.6
119.08592	1.8
120.04473	1.8
120.08112	44.1
121.06522	2.4
121.10147	1.6
122.06047	25.3
122.09670	7.8
123.06847	2.4
123.91623	1.4
124.07600	3.3
127.03911	7.9
131.08580	2.3
132.04457	1.9
132.08081	2.4
133.06421	1.4
134.06039	6.9
136.07599	26.3
137.05998	3.0
138.09146	77.4
144.08098	1.7
145.02824	2.3
145.08838	2.0
146.06004	6.0
147.04445	1.9
147.47412	1.3
148.07593	21.5
150.05554	2.5
150.09143	9.9
152.07095	6.8
155.07382	1.6
160.03961	24.0
160.07571	3.5
162.05519	3.0
163.03983	1.8
164.07051	6.9
166.08650	63.0
167.07115	2.1
172.03940	4.9
172.07600	3.4
174.05518	3.2
174.09155	3.4
176.07097	1.8
177.05479	3.9
178.05016	4.0
178.08672	3.2
180.10242	2.2
182.09668	1.9
184.07590	2.3
186.09187	2.9
188.10730	1.9
190.05003	4.7
192.06578	3.1
196.09798	1.7
197.10800	4.3
198.09216	3.1
198.11591	1.8
199.06145	2.1
199.08624	3.7
200.06999	1.9
200.10846	1.9
201.10065	1.9
204.06580	5.6
209.10765	2.6
210.09311	2.8
210.11351	3.3
211.08701	9.2
211.12312	9.5
212.09451	4.8
212.13026	2.5
213.06647	4.3
213.10158	11.7
214.08653	2.6
216.10231	4.7
221.10696	1.8
222.11363	3.3
223.08737	10.0
223.12328	5.7
224.09447	4.0
224.12985	2.4
225.10252	40.3
225.13899	6.3
226.10983	24.6
227.08289	2.1
227.11761	22.5
228.10255	2.7
232.09808	2.6
234.11142	1.9
235.08504	7.4
235.12325	3.5
236.09457	5.7
237.06598	1.7
237.10228	26.4
237.13797	7.9
238.10933	19.6
239.08217	18.9
239.11794	64.6
240.12494	18.1
241.09737	3.5
241.13312	8.9
244.09694	5.2
246.11325	4.7
247.12259	2.8
248.09418	2.9
249.10199	17.0
249.12827	1.6
249.13925	2.5
250.10945	20.9
251.08116	10.0
251.11819	71.9
252.08955	4.2
252.12521	14.4
253.09766	26.2
253.13380	59.3
254.10510	20.5
254.14000	5.4
255.11284	3.4
260.09259	3.9
262.10959	2.4
263.11795	41.4
263.14471	3.0
264.08914	2.7
264.12531	10.0
265.09787	23.5
265.13361	64.9
266.10504	17.0
266.13629	10.4
267.11322	49.2
267.14804	6.6
268.12064	9.4
268.15259	1.6
269.09259	1.7
269.12805	7.9
271.10837	8.0
275.07089	3.4
275.11740	3.1
276.12552	1.9
277.10083	7.6
277.12924	6.8
278.10336	10.9
279.11292	43.9
279.14389	1.6
280.09454	1.6
280.12115	10.1
281.12860	74.7
282.13452	3.9
283.10812	13.0
283.14407	6.0
284.11615	6.7
285.12323	32.6
286.12949	9.2
290.10971	2.2
290.14139	2.2
291.11307	14.0
292.12045	3.8
293.09311	4.1
293.12830	32.8
294.13510	3.4
295.10760	6.1
295.14398	11.2
296.11426	7.1
297.12317	21.2
298.13232	10.1
299.13931	28.6
305.09351	2.5
305.12738	3.1
307.10764	7.4
307.14438	2.5
308.11548	2.3
309.12357	58.7
310.12930	9.1
311.10703	2.2
311.13913	41.0
312.14453	4.2
313.12070	2.4
313.15500	9.4
314.12921	2.6
314.16473	2.4
319.10880	7.5
319.14172	2.3
320.11453	2.0
321.12424	16.5
322.12872	2.1
323.13919	6.2
325.11792	7.8
325.15167	1.9
326.12543	3.8
327.13394	41.8
333.12207	2.0
337.11548	7.8
338.12625	4.4
339.13443	16.4
340.14319	2.1
341.14990	71.5
342.15555	4.2
343.13367	1.8
344.13925	3.4
344.17728	2.2
351.13394	7.5
352.14243	2.0
353.15005	17.3
354.15961	1.8
355.16696	2.8
356.13834	2.3
357.14493	8.8
358.15405	3.9
359.16241	7.4
360.17032	2.5
364.13922	1.8
367.16592	2.3
369.14453	29.7
370.15298	3.7
371.16107	23.5
372.17017	3.3
373.18161	2.2
374.18787	2.1
381.14459	4.4
383.16077	6.6
384.17172	3.3
385.17975	1.9
386.18967	2.0
387.15573	2.5
388.16553	1.9
393.14401	3.3
395.16037	2.5
397.17770	2.4
399.15439	2.5
400.16379	3.5
401.17020	5.0
402.18152	3.1
403.12869	1.9
405.14297	2.6
407.15979	6.1
409.17935	3.1
411.15515	18.2
412.16211	3.5
413.17126	10.1
414.18164	7.4
416.19717	4.2
417.15036	2.1
418.17480	4.3
419.16409	2.3
420.19089	2.4
425.17038	15.7
426.17740	1.7
427.18881	2.4
429.16617	18.1
430.17560	5.0
432.19257	6.6
434.20908	2.5
435.15512	12.3
437.17056	6.6
441.16568	6.1
442.17627	4.0
443.18140	21.1
447.15570	1.8
448.18680	4.2
451.14755	2.2
453.16565	45.8
454.17038	2.7
455.18277	12.1
456.18845	2.2
460.18588	4.5
462.20184	7.4
463.14822	3.5
465.16547	7.9
467.17957	6.0
469.16235	2.0
471.17621	42.7
472.17935	3.3
473.19067	4.7
474.20258	12.3
479.18393	2.2
480.20981	5.7
481.15909	4.5
483.17752	8.0
485.19287	9.5
490.19675	2.2
492.21265	18.9
495.17490	4.5
497.19284	6.9
498.19849	3.9
501.18536	2.8
502.19861	3.2
503.20126	10.1
506.23151	6.9
513.18628	18.9
514.19165	2.1
515.20264	20.8
516.20624	2.2
522.22284	10.9
528.20636	2.0
530.22198	2.0
534.22314	12.4
542.22784	2.3
556.20276	7.6
557.20825	1.8
558.22052	4.2
562.21539	2.3
564.23193	2.0
568.21320	2.6
570.22339	2.5
572.23621	4.4
574.21930	10.4
576.23376	3.9
585.24725	2.0
586.21808	13.1
588.23425	27.1
589.23712	7.7
591.25311	5.9
592.22852	16.7
594.24487	38.5
595.25122	3.3
600.23328	21.7
602.25171	2.7
603.25903	2.8
604.22894	13.0
606.24536	47.7
607.24860	3.6
613.26306	2.7
618.24542	41.9
624.25507	91.2
625.25323	4.6
627.27960	6.8
631.24951	5.9
632.25970	10.0
634.23743	2.9
636.25543	100.0
637.25586	4.7
650.26599	5.6
664.25214	10.2
667.27515	2.5
668.28052	11.1
675.27710	3.1
680.27893	4.7
687.29938	3.5
693.29303	11.7
694.29840	2.8
700.31036	2.7
703.27539	5.9
707.30762	29.3
708.30359	3.1
711.29968	3.9
712.31030	15.6
721.28656	20.3
725.31812	69.1
726.31555	5.2
729.31366	3.0
735.29816	6.1
739.29456	15.3
743.32855	25.9
753.31323	54.4
754.31006	4.1
757.30841	8.9
761.33771	3.8
771.32538	21.3
789.33716	12.8
847.37262	3.5
865.37634	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.3
61.62693	1.3
63.02389	0.9
65.03956	1.7
67.05529	1.7
69.03430	15.8
71.05000	4.2
71.56727	1.4
72.04537	1.1
73.02917	3.0
79.05500	3.4
81.03422	16.7
81.03857	1.4
81.07074	1.6
82.53600	0.9
83.05003	3.2
85.02910	37.0
87.04482	1.3
91.05481	18.0
93.07061	3.1
94.04227	2.5
95.04991	6.2
97.02902	19.8
97.06553	3.0
99.04456	24.5
103.03945	25.4
103.05471	14.3
104.15368	0.9
105.04591	1.2
105.07035	8.3
107.04964	13.1
109.02880	17.2
109.06553	1.4
115.03997	1.0
115.05470	6.7
116.06217	1.2
117.03438	0.9
117.07021	7.7
119.04929	8.0
119.08624	1.9
119.45419	0.9
121.05284	1.1
121.06507	6.6
122.03696	4.6
123.04420	14.4
124.05250	1.5
125.05988	1.3
127.03922	48.9
128.06267	1.8
129.07027	5.5
130.06503	1.0
131.04936	46.9
132.02124	2.7
133.02837	6.9
133.06482	13.3
134.06027	1.8
135.04422	17.5
136.05217	2.6
136.07599	1.2
137.05981	100.0
138.06462	1.6
142.74438	0.9
143.04927	5.4
143.08627	1.4
144.05756	1.3
145.05003	13.3
145.06528	10.7
145.10161	1.9
147.04420	13.1
147.08107	3.4
148.05214	2.0
148.27327	1.2
149.02411	2.1
149.05981	8.1
150.06857	1.1
151.03886	1.5
151.07564	8.7
152.07111	4.3
153.05484	3.6
153.06865	1.5
154.08598	1.0
155.08617	1.5
157.06482	4.7
159.04474	1.2
159.08121	1.7
160.05267	1.5
161.05984	43.2
162.06693	1.5
163.03969	3.0
163.06102	7.2
163.07515	39.5
163.11261	1.3
164.04773	4.8
164.07074	8.0
165.05524	13.1
165.06949	1.9
165.09074	6.0
166.06351	1.1
167.07056	57.2
168.07834	2.0
169.06555	1.4
171.08099	1.9
173.05960	4.9
173.09651	1.2
174.06691	1.2
175.04028	1.6
175.07587	6.3
176.07037	1.3
177.05580	5.1
177.09140	9.7
179.07053	37.2
180.07826	39.7
181.05038	2.3
181.06583	3.1
181.08600	13.4
181.10051	1.6
183.08131	4.4
187.06050	3.2
187.07639	6.1
189.05466	1.8
189.09122	12.7
191.07074	6.2
191.08577	2.1
191.10703	1.3
192.07867	1.5
193.08606	32.9
193.10211	2.1
194.07422	3.1
195.06636	1.9
195.08183	3.7
197.06137	1.5
199.07646	3.7
201.09166	2.4
203.07085	1.2
205.06862	2.3
205.08716	7.1
205.12370	1.2
206.09489	2.1
207.06450	5.2
207.08386	2.1
207.10124	9.1
208.08931	1.8
209.08119	3.0
209.09705	4.2
211.07645	2.4
213.09164	2.4
215.10693	12.6
217.08662	2.3
217.12349	3.9
219.10136	2.6
222.06790	2.3
223.07634	6.6
227.10732	3.7
229.08554	1.3
231.10150	7.3
233.11728	9.8
235.09862	1.0
236.08374	2.6
237.09114	9.7
239.07123	2.6
240.07898	1.5
250.14531	1.5
251.07190	2.7
255.10089	5.5
259.13361	2.6
265.08609	8.5
282.08829	4.6
283.09732	7.8
287.05652	3.8
287.12881	2.2
289.09100	1.2
297.11368	4.4
300.10086	3.3
301.10880	3.9
303.05127	3.4
307.10254	2.3
308.10468	1.1
315.12262	34.2
325.10855	2.0
332.14941	91.6
336.13095	1.5
337.14612	1.2
340.33801	1.2
341.13846	1.4
349.14484	1.2
367.15564	3.3
369.16959	19.2
371.18597	1.3
371.66782	1.2
374.15948	1.5
385.16727	3.0
386.17523	1.1
387.18060	6.0
402.19260	3.7
403.17773	1.5
404.18448	4.2
422.16125	1.9
441.16354	1.2
458.17935	1.4
503.20566	1.2
538.24384	12.9
539.22791	4.9
556.25464	86.0
557.27075	1.4
573.55713	1.1
588.96057	1.1
598.26782	3.3
602.22369	4.0
620.23987	3.6
638.24664	3.6
646.27045	2.5
808.31610	1.5
826.32843	7.5
844.34558	9.2
862.34998	66.8
863.34314	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	861.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.4
62.71991	0.4
65.03929	0.6
67.05507	10.1
68.05851	1.1
69.03429	3.0
69.07075	4.0
71.01366	0.5
71.04985	1.1
73.02927	2.8
79.05493	8.7
80.05817	0.6
81.03416	5.0
81.06597	0.6
81.07063	10.8
82.07397	1.0
83.01434	0.6
83.04980	1.4
83.08635	2.7
85.02904	4.1
86.09700	0.7
91.03962	2.9
91.05476	8.6
92.05804	1.2
93.07043	7.6
94.00667	0.5
94.07370	0.7
95.04969	2.9
95.08609	6.4
97.02886	4.0
97.06554	0.8
97.10168	1.0
99.04458	1.2
101.02406	1.1
105.07033	4.6
107.04993	1.1
107.08585	4.2
109.02888	0.8
109.06549	1.2
109.10181	2.1
111.08083	1.2
117.07041	1.5
119.04963	0.6
119.08583	3.7
121.06522	0.7
121.10148	2.7
122.10491	0.8
123.04473	0.9
123.08057	0.9
125.09634	0.6
127.03938	1.5
129.07028	1.3
131.04907	0.7
131.08606	2.0
132.08922	0.5
133.06506	0.6
133.10187	2.2
135.04387	0.9
135.11731	2.1
136.06181	20.6
137.06006	3.5
137.06673	1.4
138.06302	1.1
145.06537	1.0
145.10191	1.4
147.04474	1.0
147.08073	0.5
147.11705	1.8
149.06001	1.0
149.09642	1.9
149.13263	1.0
157.06557	0.7
157.10115	1.1
159.11761	1.1
161.06018	1.9
162.06337	0.5
163.07587	0.6
164.07114	0.7
173.05959	1.1
175.07616	1.3
175.11189	0.8
177.33768	0.5
184.07385	2.0
187.07610	1.3
188.07961	0.7
189.09116	0.7
193.12288	1.5
197.09863	0.6
210.97932	0.5
229.34341	0.6
243.08467	2.9
257.15512	0.6
267.16028	0.7
302.17563	1.2
329.17413	0.8
333.20441	2.7
335.25937	1.2
336.26300	1.0
346.20184	1.0
389.23291	1.0
423.20132	0.6
439.19476	1.9
453.21188	1.5
474.74948	0.5
551.28394	10.3
552.28546	0.5
681.45850	1.0
698.46027	3.0
699.46490	17.3
700.47034	1.5
843.50787	2.7
861.49963	100.0
862.50293	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	861.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.0
65.03931	0.7
67.05508	9.8
68.05845	0.5
69.03445	3.2
69.07072	4.6
69.34705	1.7
69.35127	2.9
71.05000	1.2
73.02923	3.8
79.05493	6.7
81.03418	5.2
81.07059	9.3
82.07425	0.6
83.04981	1.6
83.08624	1.9
85.02901	4.3
85.06557	0.5
86.09714	0.5
91.03959	2.6
91.05482	7.4
92.05814	0.5
93.07044	8.9
95.04969	2.9
95.08610	5.6
97.02885	4.1
97.06519	0.9
97.10186	0.7
99.04459	0.9
101.02367	1.0
105.07029	4.6
106.07398	0.7
107.04973	0.9
107.08570	4.2
108.64641	0.4
109.06520	1.1
109.10157	2.3
111.08101	0.5
117.07029	1.5
119.04985	0.7
119.08569	2.4
121.06521	0.9
121.10163	2.1
122.10469	0.5
123.04413	0.9
127.03964	1.3
129.07056	1.3
131.08542	2.7
133.06519	0.7
133.10155	2.5
135.04471	1.2
135.11723	2.1
136.06178	2.8
136.93124	0.4
137.05952	4.2
138.06316	0.5
145.06540	0.8
145.10139	0.8
147.04405	0.8
147.08092	0.5
147.11729	1.1
149.06024	0.9
149.09647	0.9
149.13266	0.7
151.06192	0.8
151.11232	0.6
157.10152	0.8
159.08163	0.5
159.11760	0.9
161.05998	1.4
163.07587	0.7
171.11795	0.6
173.06023	1.1
175.07623	0.9
175.11307	0.5
184.07430	2.0
185.04193	0.7
187.07578	1.1
193.12341	0.9
243.08429	2.8
285.15005	0.6
302.17709	0.9
329.17578	1.0
330.18091	0.9
333.20374	3.8
335.25879	0.6
336.26303	1.4
346.20187	0.9
358.19537	0.5
389.23190	1.0
439.19818	2.0
453.21048	2.6
469.20551	0.7
551.28314	11.4
655.44025	0.6
681.45746	1.4
698.46936	2.3
699.46594	14.7
843.51038	2.7
861.49847	100.0
862.50085	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	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	4.1
61.02945	2.8
65.03941	5.6
67.05505	100.0
67.72091	2.1
69.03428	4.3
69.07076	24.8
71.04976	6.3
71.58456	3.2
72.31300	2.5
73.02919	3.2
79.05062	4.4
79.05495	64.1
81.03425	6.2
81.07055	74.5
83.04960	7.5
83.08613	20.4
84.04524	2.2
85.02892	6.9
85.06577	6.0
86.09706	14.7
91.05480	67.0
93.07041	64.8
94.36110	2.2
95.04975	11.2
95.08611	51.2
95.94671	2.5
97.02889	5.1
97.06539	9.2
97.10162	9.9
98.98503	2.6
99.08109	3.1
103.05476	3.2
105.07032	72.0
107.04942	7.8
107.08601	46.0
109.06512	7.3
109.10152	51.5
111.08065	6.8
113.40471	2.6
115.05481	2.9
117.07022	20.4
119.08579	57.9
121.06537	2.7
121.10149	27.2
123.08032	5.7
123.11696	7.4
125.00021	14.8
125.09643	6.9
129.07022	13.3
131.08582	35.7
133.09129	2.5
133.10130	51.6
135.08087	3.3
135.11679	18.9
137.05974	5.2
137.09579	2.8
141.06972	3.0
142.07828	2.9
143.08565	14.5
145.10126	27.3
147.08032	2.8
147.11691	40.4
149.05978	7.5
149.09621	8.7
149.13289	17.8
151.11119	3.4
155.08549	6.1
157.10150	12.2
159.11682	24.0
161.06015	3.0
161.09572	3.2
161.13266	24.5
163.11154	6.2
163.14847	3.4
164.07050	3.3
165.12691	3.4
169.10081	5.9
171.11694	18.9
173.11734	11.4
173.13260	13.9
175.11264	3.4
175.14832	8.6
177.12785	4.4
183.11700	8.8
184.07349	60.7
185.13245	10.8
187.14845	5.7
195.11696	2.5
197.13254	6.7
199.14783	7.5
209.13268	3.1
211.14883	5.0
218.08125	3.6
223.14853	4.1
227.12810	7.4
229.14368	30.7
231.21021	2.8
239.18021	4.2
241.19542	22.8
257.19055	5.5
259.20599	72.5
261.22144	5.4
267.15921	4.3
269.17462	10.0
275.20010	18.5
315.23166	6.9
333.24240	66.6
335.25778	10.4
344.18610	7.7
349.23645	11.7
358.49878	2.4
367.24826	16.3
418.22552	2.9
435.32303	4.1
436.22815	3.0
453.33334	4.0
487.34689	15.9
505.35269	27.2
509.35715	3.5
513.35706	6.1
515.37885	6.1
527.37262	39.0
533.40515	3.0
545.38324	10.4
607.43622	34.6
625.44598	47.9
626.44012	2.4
643.45465	4.5
652.40723	2.5
678.43201	3.7
696.44800	24.5
858.50037	13.7
859.48096	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	860.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55931	0.3
61.02816	5.4
61.03173	1.4
65.03829	1.6
65.04192	0.7
67.05392	20.8
67.05792	4.3
69.03315	3.2
69.06954	4.9
69.07363	0.7
69.42136	3.2
71.04868	1.5
73.02795	2.8
77.03840	0.5
79.05367	17.2
79.05882	2.5
79.06143	0.7
81.03291	15.8
81.03823	2.3
81.06928	20.3
81.07458	2.7
83.04849	2.3
83.08489	5.0
83.09037	0.7
85.02769	5.4
85.06418	1.1
87.04339	0.5
91.03814	2.5
91.05347	19.9
91.05980	2.2
93.03278	0.4
93.06908	17.8
93.07568	1.9
93.13766	0.4
94.07236	0.5
95.04832	6.9
95.05488	0.7
95.08468	14.0
95.09149	1.4
97.02754	5.5
97.06388	2.2
97.10031	2.3
99.04355	0.5
99.07962	0.7
101.02283	0.9
101.02880	0.4
103.05396	0.9
105.06886	9.7
105.07665	0.8
107.04808	3.2
107.08447	10.4
107.09262	1.0
109.02774	0.7
109.06372	2.9
109.10008	6.9
111.04353	0.6
111.07933	2.6
115.03855	0.4
115.05299	1.1
117.06862	4.3
117.07755	0.8
119.04791	3.8
119.08429	8.7
121.02679	0.4
121.06351	2.3
121.09995	9.0
121.10912	0.7
123.04277	4.9
123.07906	1.5
123.11720	2.0
125.09441	1.1
127.03807	0.6
128.06091	0.7
129.06836	3.5
131.04756	1.6
131.05626	0.5
131.08574	6.9
132.41615	0.3
133.06502	2.8
133.10133	6.1
135.04417	3.4
135.07915	0.8
135.11688	3.0
137.05980	24.3
137.06961	1.3
137.09480	0.8
139.11082	0.5
141.06870	0.8
142.07666	0.5
143.08414	1.3
145.04726	0.4
145.06490	3.6
145.10136	2.5
147.04427	5.3
147.08032	2.6
147.11688	4.9
149.05975	5.1
149.09605	5.9
149.13104	1.4
151.07387	0.9
151.11041	0.9
152.06989	0.5
154.08537	0.8
155.08447	0.4
157.06514	1.9
157.10101	4.0
159.08084	2.8
159.11543	1.5
161.05981	9.9
161.09505	0.7
161.13177	0.9
163.07533	4.6
164.06908	1.1
165.05408	0.9
165.08960	0.5
165.12605	0.8
167.08444	0.4
171.07877	1.6
173.05975	5.3
173.09415	0.8
173.13120	0.8
175.07556	6.8
175.11131	2.7
175.14696	0.5
177.05351	0.4
177.07649	0.5
177.08981	1.1
179.08340	0.4
181.06425	0.5
181.09969	0.5
183.07901	1.7
184.07199	1.0
185.05853	0.9
185.09381	1.2
187.07529	7.2
189.05383	0.9
189.09105	3.1
191.06918	1.0
193.12238	6.5
195.07881	0.7
195.13715	0.4
197.09439	1.7
199.07539	2.4
199.11115	0.5
199.14778	0.4
201.09111	2.4
203.06996	0.5
203.10547	0.7
209.09505	0.7
211.07437	0.9
211.11351	0.7
211.13246	3.7
213.09079	1.7
213.12517	0.5
217.08434	0.6
225.09003	0.9
225.12643	0.5
227.10559	0.8
229.12157	0.5
237.12546	0.5
239.14264	0.8
241.12064	0.5
243.13708	0.7
257.15372	6.6
267.13638	1.2
269.15305	0.4
274.17801	0.5
283.16876	1.0
285.14874	4.3
297.14679	0.6
301.17889	0.9
302.17538	6.6
303.15833	4.9
311.16437	2.1
314.17294	0.5
323.16302	0.4
328.18991	1.3
329.17459	7.9
333.16867	0.9
335.25763	7.3
339.19595	0.5
341.17230	1.2
346.20099	6.8
347.18448	1.2
358.20001	1.0
364.21130	0.4
376.21155	0.9
385.19891	0.6
402.22614	1.2
403.21179	0.8
420.23880	4.6
438.24902	0.7
497.30841	1.0
573.67468	0.4
582.28491	1.0
638.61621	0.5
654.43530	1.2
663.42975	0.5
680.45343	4.3
681.43567	0.9
698.46240	100.0
699.46527	4.9
740.47144	1.0
776.47229	1.3
788.46863	0.4
806.48749	0.9
806.66418	0.4
824.49585	2.6
842.50214	5.0
860.51410	82.8
861.51886	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	854.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.0
62.31873	1.3
65.03944	2.9
65.98475	1.2
67.05506	71.0
69.03429	15.6
69.07068	44.5
70.03732	1.1
71.04990	6.3
71.58189	1.3
73.02906	1.9
77.53568	1.0
78.78114	1.1
79.05492	52.9
81.03426	12.8
81.07056	68.5
81.56773	1.2
83.04989	14.5
83.08617	17.0
85.02893	5.7
85.06516	3.8
91.05482	49.6
93.07043	49.4
95.01323	1.5
95.04968	17.0
95.08607	27.3
97.02898	13.2
97.06525	13.4
97.10171	20.1
99.04418	2.3
99.08102	2.6
103.05459	2.2
105.07029	40.3
107.04957	14.6
107.08595	37.5
109.02840	1.9
109.06513	7.0
109.10161	22.1
111.04379	1.8
111.08115	6.6
113.09636	1.4
115.05459	2.0
117.07027	16.8
119.08588	26.4
121.06539	8.0
121.10148	14.8
123.04425	1.8
123.08068	7.9
123.11687	4.0
125.09624	15.1
127.03889	2.1
129.07007	8.0
130.07729	1.9
131.08577	16.1
133.06468	4.5
133.09113	1.4
133.10123	27.3
135.08067	6.9
135.11697	11.4
137.09608	2.9
138.13802	1.3
141.06967	1.8
142.07823	1.6
143.08543	7.7
145.06454	1.7
145.10118	15.8
147.08064	6.7
147.11673	7.9
149.09642	11.8
149.13271	7.9
151.11174	5.8
153.09155	1.6
155.08514	2.7
157.10124	5.4
159.11688	11.8
161.09595	5.6
161.13222	3.2
163.11201	7.6
165.09093	1.7
165.12717	1.3
169.10129	3.0
169.12206	2.8
171.10150	1.4
171.11644	2.5
173.11807	1.7
173.13245	5.4
175.11168	4.4
177.12720	3.2
181.12053	1.5
183.11664	1.9
184.07355	4.0
185.13240	2.1
189.11214	7.3
189.12697	2.0
193.12251	1.8
195.13809	4.4
205.12155	1.9
211.14786	1.3
217.97739	1.2
219.13759	1.5
223.13283	18.0
227.12732	10.8
237.16370	1.3
239.17972	2.0
245.19060	1.6
249.14796	2.7
253.14325	14.7
255.15979	5.1
257.18988	6.8
262.15506	1.5
263.20068	1.8
269.17468	24.0
273.18497	18.9
275.20096	16.7
291.19540	100.0
292.19885	3.5
293.21036	1.5
309.20743	2.3
331.22690	2.3
347.09348	1.5
347.22043	4.0
349.23727	19.0
365.23230	50.1
367.24774	4.3
461.28976	1.9
519.33344	2.4
520.29523	1.3
541.35028	4.3
545.34833	19.8
546.35010	2.3
559.36322	71.1
560.36401	4.3
576.22583	1.8
599.39349	1.7
621.41199	3.1
639.42535	19.5
640.42999	2.4
655.78296	1.5
657.43262	3.8
682.35242	1.7
854.45758	24.1
855.45233	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	100.0
69.07049	13.1
71.04988	5.5
71.29353	8.1
79.05481	33.1
81.03423	8.4
81.07053	51.4
83.04971	5.7
83.08617	14.4
83.49140	3.9
85.02888	14.0
91.05454	28.9
93.07043	37.4
95.04984	9.3
95.08607	41.1
97.06493	4.4
97.10152	13.5
105.07024	15.0
107.04944	5.0
107.08601	27.4
109.06508	6.7
109.10150	56.1
117.06995	5.7
119.08563	11.8
121.10126	14.1
125.09617	13.9
129.05421	4.8
131.08583	10.8
133.10118	6.7
135.11670	14.0
137.09669	4.1
143.10625	7.1
145.10106	8.5
145.14627	3.7
147.11700	4.8
149.13203	3.9
159.11668	7.3
163.11153	9.3
173.11719	15.3
173.13130	6.9
193.12259	5.7
199.13336	11.5
201.33212	3.8
209.11679	8.5
227.12790	9.6
229.14346	50.3
261.22122	12.3
301.16388	15.6
335.25781	89.4
335.29846	4.4
383.61111	4.1
399.23795	21.9
477.35757	5.8
489.35571	16.6
561.37439	6.8
564.95660	4.9
659.45471	27.7
828.77740	4.6
828.92487	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	858.448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.6
65.03931	1.6
67.05508	18.7
69.03429	23.1
69.07069	1.1
70.06572	0.6
70.92903	1.8
70.93252	0.6
71.04996	10.4
73.02920	1.7
79.05489	4.6
79.13021	0.8
81.03417	9.4
81.07073	4.9
83.04983	2.5
83.08643	1.5
85.02906	57.0
85.06545	10.0
86.09711	1.0
87.04473	4.1
91.03960	3.8
91.05482	4.1
92.46884	0.6
93.07041	4.6
95.04971	40.0
95.08604	4.0
97.02279	1.4
97.02893	18.7
97.03515	1.2
97.06100	0.6
97.06543	7.4
98.21308	0.9
99.04450	3.2
99.08070	0.9
101.06054	1.0
105.07018	4.7
107.04970	1.8
107.08611	4.3
109.02884	5.9
109.06524	1.9
109.10172	2.9
111.04440	1.9
111.08080	1.0
111.72948	0.7
112.42962	0.7
113.06009	100.0
115.03937	1.1
117.07042	1.4
119.04890	0.8
119.08580	4.0
120.08090	0.9
121.06495	1.6
121.10161	3.4
122.06009	1.3
123.04418	1.3
123.08049	1.1
125.06007	4.9
125.09600	0.9
127.03914	14.8
127.07549	0.7
129.07027	1.9
131.04930	0.8
131.08565	2.7
133.10056	3.2
135.04439	1.1
135.11714	1.7
136.06136	1.8
136.07573	0.8
137.05991	4.2
138.09126	1.2
139.03955	1.1
143.08606	2.0
145.02930	0.9
145.04964	18.2
145.06229	0.9
145.06664	1.0
145.08604	15.9
145.10101	2.3
147.04375	2.1
147.11688	2.5
149.05994	1.5
149.09650	1.3
151.03960	0.8
151.07520	0.9
153.05475	6.1
155.07048	3.5
155.08424	1.0
157.10153	1.6
159.08141	0.7
159.11714	3.6
161.06001	1.2
161.13304	1.3
162.07768	2.7
163.03922	0.9
163.06050	5.5
163.07326	1.2
165.09114	2.2
167.07045	1.8
169.10109	1.1
171.11720	0.9
173.09605	1.1
175.14839	1.7
177.05508	2.7
179.07043	1.0
181.08569	0.8
181.10150	0.9
183.11681	1.0
185.09668	1.0
185.13202	0.8
186.13979	0.7
189.07625	2.4
189.16502	1.5
192.38762	0.6
193.12280	1.5
198.06248	0.7
201.16400	2.9
203.10837	0.8
207.13551	0.8
213.16386	0.9
215.10677	0.6
215.17992	1.1
217.12277	1.1
221.08130	0.9
229.12297	0.9
239.09084	1.3
253.19553	0.7
257.10217	3.0
257.15475	1.1
263.14453	0.7
275.11310	2.5
277.19446	1.0
291.06689	0.7
291.21100	1.1
302.17447	0.9
308.93057	0.7
309.22021	1.3
311.97116	0.8
325.11264	6.8
337.21588	8.1
355.22662	15.0
373.23746	63.1
374.24173	1.6
414.26550	3.3
517.31592	13.7
592.34796	1.3
628.34674	1.4
646.35132	1.8
682.18018	0.7
754.39624	2.1
808.40369	2.2
840.43170	1.3
858.45074	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	853.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.1
65.03958	0.5
67.05509	7.6
69.03430	4.7
69.07072	1.4
70.55479	1.1
71.01367	0.7
71.04996	1.4
73.02917	5.1
79.05464	2.9
81.03432	3.0
81.07066	4.6
81.44218	0.5
83.04995	0.9
83.08654	0.7
85.02905	7.8
86.09709	0.7
91.03963	5.3
91.05501	2.1
93.07034	3.4
95.04989	1.1
95.08614	2.8
97.02895	7.6
99.04487	1.7
101.02371	2.5
103.03963	0.6
105.07076	1.0
107.08616	2.1
109.02908	1.4
109.10154	3.8
111.08142	0.6
115.03967	0.6
117.07062	0.5
119.08588	1.4
121.10160	1.0
123.11729	0.6
127.03956	1.8
131.08586	1.0
133.10118	0.8
134.80516	0.4
135.11755	1.2
136.85056	0.4
137.09694	0.5
145.04976	0.6
145.10141	0.6
149.13312	0.5
159.11690	0.5
161.39352	0.4
169.56743	0.5
173.11792	1.0
177.96248	0.5
181.36201	0.5
182.25035	0.5
184.07333	1.3
185.04227	1.3
195.09991	0.6
203.05281	0.8
215.70015	0.5
224.63628	0.5
224.93806	0.5
229.14545	0.8
243.08450	2.7
291.19620	0.7
292.19891	0.5
335.25925	0.7
338.27722	0.5
347.09473	3.1
363.09030	0.8
365.10602	1.0
405.13687	6.1
413.17889	6.9
519.29272	8.6
575.23181	4.9
681.34619	7.8
681.45404	0.9
682.34796	0.6
691.40045	2.2
853.45532	100.0
854.45831	6.3
883.32007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	10.6
63.68004	2.3
65.03946	5.9
67.05505	69.1
68.05831	2.4
69.03423	14.7
69.07070	34.5
71.04990	8.1
71.58561	3.0
71.59046	4.3
73.02924	5.7
79.05495	49.6
81.03428	13.7
81.07059	74.2
83.04993	13.1
83.08614	17.6
84.17196	2.4
85.02896	13.1
85.06548	6.3
85.99125	2.2
86.09699	2.9
91.03952	4.7
91.05486	51.0
93.07046	58.6
95.04953	14.9
95.08607	32.3
97.02892	14.9
97.06513	17.1
97.10175	12.4
99.04474	5.1
101.02417	2.8
103.05468	2.2
105.07043	45.3
107.04971	10.4
107.08591	42.6
107.09278	3.0
109.02892	3.4
109.06492	12.6
109.10157	32.0
111.04443	3.5
111.08074	6.3
117.07015	14.2
119.04955	3.2
119.08582	30.4
121.06517	11.5
121.10161	16.5
123.04427	2.4
123.08093	5.5
123.11726	6.5
125.00092	3.7
125.09673	9.6
127.03946	4.7
129.07040	7.4
131.08566	22.0
133.06497	6.0
133.10124	44.2
135.08083	9.2
135.11731	11.7
137.09633	5.2
139.11111	2.2
141.07011	3.0
143.08556	6.7
145.10146	16.6
147.08076	8.6
147.11711	11.2
149.09654	12.1
149.13315	8.9
151.11174	13.8
155.08540	3.2
157.10150	7.4
159.11696	13.7
161.09673	9.0
161.13301	6.9
163.11232	8.9
165.12869	2.7
169.10109	4.2
169.12253	4.4
171.11720	5.5
173.04510	2.6
173.13303	3.2
175.11205	5.5
177.09236	3.1
179.14326	2.9
183.11716	3.0
184.07321	10.5
195.11916	3.1
195.13818	3.5
215.12950	3.3
223.13274	13.0
227.12892	7.4
239.18205	2.9
245.19052	2.9
247.20337	3.1
249.14920	3.8
253.14398	38.1
255.15881	6.0
257.19052	7.9
263.20166	4.0
269.17487	26.1
271.15338	3.7
273.18524	28.1
275.20099	26.6
291.19522	81.6
335.25995	2.5
340.15277	3.5
347.22351	8.7
349.23746	18.8
365.23248	51.6
366.23608	3.6
367.24698	2.5
386.37189	2.4
405.13849	4.3
414.18259	3.3
451.27637	3.4
465.28735	3.9
520.29596	4.4
527.33844	6.1
535.31946	2.6
541.34979	7.1
545.34680	21.8
559.36279	72.0
560.36584	6.2
575.23529	3.0
576.23584	4.0
621.41913	5.9
639.42548	22.0
657.43610	5.1
682.35413	7.0
692.41138	4.1
854.45795	100.0
855.45892	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	2.5
67.05500	8.4
69.03424	4.2
69.44426	10.7
71.39400	1.0
73.02914	2.5
77.03957	1.6
78.46996	1.1
79.05503	6.3
80.05011	2.8
81.03416	11.0
81.07069	2.6
82.06586	3.7
85.02901	5.5
91.05499	5.9
93.05807	1.9
93.07043	13.5
94.06568	23.3
95.04958	6.3
95.07342	17.8
95.08606	1.6
96.08120	30.9
97.02892	2.6
97.06534	2.8
99.04478	1.3
103.05457	3.3
104.05042	1.5
106.06561	4.0
107.07320	1.8
107.66058	1.2
108.04463	9.8
108.08113	43.9
109.02882	5.6
109.08936	1.6
110.06006	1.4
110.09675	58.2
113.96096	1.2
115.09815	1.1
120.04472	1.6
120.07228	2.3
120.08102	42.8
122.06026	23.1
122.09661	7.0
123.06833	2.3
124.07578	2.6
126.54434	1.2
127.03915	3.4
132.04411	2.0
132.08105	2.2
134.06020	7.0
134.09691	2.0
136.07574	28.4
138.09134	76.8
139.91118	1.2
146.06003	3.7
146.09650	1.6
148.07567	21.5
150.09155	9.8
152.07079	7.0
158.09604	2.1
160.03938	23.7
160.07585	4.6
162.05522	2.3
162.09090	1.9
164.07042	4.8
166.08638	71.8
172.03947	3.5
174.05501	5.2
174.09161	2.6
176.07033	2.4
176.10651	1.5
177.05511	1.5
178.05023	3.0
178.08714	1.5
180.06578	2.5
186.09166	2.0
192.06538	4.2
197.10727	2.3
198.09325	1.6
199.08694	3.9
200.07115	3.4
200.10748	2.9
202.08626	1.6
204.06528	4.2
204.10149	1.8
206.08244	1.8
210.11455	2.8
211.08661	9.1
211.12297	8.2
212.09482	3.7
212.12848	1.9
213.06636	2.4
213.10214	11.1
214.08601	3.6
216.10197	4.3
221.10684	2.4
222.11491	2.6
223.08705	10.8
223.12169	6.8
224.09421	4.0
224.13130	3.1
225.06728	2.8
225.10204	45.7
225.13873	5.3
226.10983	20.6
227.08211	1.8
227.11752	20.8
229.13440	2.2
232.09770	3.3
234.11438	2.4
235.08537	8.4
235.12311	3.6
236.09233	7.9
237.10223	24.4
237.13803	9.1
238.10938	19.3
239.08147	22.4
239.11797	70.6
240.12537	18.0
241.09712	3.1
241.13293	10.0
244.09703	5.7
246.11197	6.0
247.12395	1.6
248.09453	4.0
249.10216	18.0
250.11005	19.3
251.08066	10.7
251.11797	66.9
251.45769	1.4
252.06619	2.0
252.09016	5.5
252.12495	16.6
253.09727	23.9
253.13368	54.8
254.08109	1.1
254.10512	22.2
254.14053	5.5
255.07599	1.6
255.11186	3.4
257.09341	1.8
260.09198	2.2
261.10196	1.9
262.10983	4.1
263.07837	1.3
263.08813	2.2
263.11810	43.7
264.09042	5.1
264.12445	8.1
265.09760	26.4
265.13351	61.7
266.10498	17.4
266.14069	8.1
267.08386	2.4
267.11285	44.9
267.14822	5.3
268.12027	8.1
269.09131	1.3
269.12845	6.9
271.10727	7.3
271.13986	1.4
275.11832	4.7
276.12607	1.9
277.09723	6.3
277.13348	4.7
278.10376	10.9
279.11276	45.0
280.12039	8.4
281.12823	76.8
282.13446	5.0
283.10776	15.4
283.14438	4.8
284.11435	4.3
285.12320	28.1
286.13165	7.0
289.13235	2.0
291.11334	16.3
291.14600	2.2
292.11948	3.9
293.09451	1.7
293.12784	33.8
294.13577	3.9
295.10739	8.4
295.14413	11.2
296.11621	7.1
297.12332	21.2
298.13025	8.3
299.13861	28.7
303.11249	3.2
305.12982	2.1
307.10764	6.9
308.11432	1.6
309.12308	61.7
310.12933	7.5
311.13867	43.3
312.14484	4.1
313.12292	2.5
313.15451	8.7
319.10721	6.1
319.14188	1.8
320.11469	2.7
321.12338	18.7
323.10379	2.0
323.13867	5.8
324.14725	2.2
325.11801	7.1
325.15479	3.4
326.12552	1.7
327.13379	48.0
328.13992	3.1
329.15240	1.8
330.16107	2.3
333.12103	2.5
335.13870	1.8
337.11844	7.4
337.15369	1.6
338.12601	2.7
339.13391	16.7
340.14072	2.5
341.14951	76.0
342.15726	2.8
344.14096	2.8
344.17691	2.9
347.13873	1.6
351.13397	3.6
352.14056	2.3
353.14984	20.5
354.15784	2.0
355.16693	1.8
356.13751	3.6
357.14612	9.5
358.15485	5.3
359.16159	7.2
360.17023	2.5
367.12708	2.1
368.13766	1.7
369.14426	37.7
370.15366	3.6
371.16043	22.3
372.17218	6.8
373.17825	1.9
374.18726	2.3
375.13449	2.3
377.14911	2.0
379.16608	1.8
381.14380	4.6
383.16141	6.3
384.17007	2.8
385.17438	1.9
386.18680	3.5
388.16434	2.3
389.14908	1.7
391.16656	2.0
393.14404	4.0
394.15228	1.7
395.15982	3.6
399.15411	5.8
400.16461	3.7
401.17148	5.8
402.18024	4.5
403.12927	2.2
404.19769	1.6
405.14484	2.5
407.16028	6.8
408.16489	1.5
409.17795	2.2
411.15488	18.3
412.16257	3.5
413.17041	10.2
414.18112	4.4
416.19705	4.5
417.14679	1.6
418.17477	3.8
419.16272	2.5
420.19119	3.6
421.18433	1.6
423.15463	5.1
425.17145	22.1
427.19016	2.0
428.19968	2.0
429.16595	21.9
430.17572	5.1
432.19196	6.8
433.19849	2.0
434.20898	1.5
435.15555	16.9
437.17084	9.1
440.15741	3.6
441.16479	5.1
442.17535	5.6
443.18143	20.7
444.18915	2.0
446.20822	5.5
447.15408	3.1
448.18634	3.8
451.14795	3.0
452.16162	1.8
453.16534	59.8
454.17188	2.2
455.18082	11.8
460.18738	7.1
462.20056	9.0
463.14984	3.2
465.16278	10.3
466.17398	1.8
467.17798	6.4
469.15497	1.8
471.17606	50.0
472.18292	3.1
473.19077	4.6
474.20288	16.1
479.18179	3.7
480.21219	6.3
481.15646	6.5
482.16669	2.0
483.17642	11.6
485.19205	12.1
490.19809	3.1
492.21259	20.4
495.17383	4.6
497.19208	11.5
498.19843	3.0
501.18521	3.3
502.19470	3.6
503.20200	9.8
504.21350	1.8
506.22928	7.7
507.23355	2.0
512.21832	1.7
513.18494	21.1
514.19427	1.8
515.20148	25.1
522.22455	13.3
528.21295	3.1
534.22308	19.6
536.23724	2.1
540.21362	2.2
543.18909	2.3
545.21216	2.5
546.22388	2.9
552.23291	2.5
554.22607	1.7
556.20752	8.4
558.22101	4.4
560.24011	1.7
562.21838	2.8
564.23370	1.6
568.20630	4.8
570.22095	2.3
572.24023	3.2
574.21576	15.0
575.22235	8.5
576.23291	3.8
577.23975	9.7
580.23315	1.5
582.23523	2.8
585.24683	2.8
586.21759	12.5
588.23352	34.6
590.24316	1.7
592.22943	13.6
594.24445	38.8
595.25513	3.7
600.23517	28.2
602.24304	2.4
603.25549	4.9
604.22784	15.4
606.24408	83.1
607.24689	2.4
613.26593	2.4
618.24390	53.8
619.24487	1.6
624.25458	86.1
625.25531	3.6
627.28027	6.3
630.24573	1.8
631.25055	4.2
632.25970	10.2
636.25500	100.0
637.25555	4.6
648.24481	1.7
649.27411	2.1
650.26929	4.9
654.26520	9.3
664.25159	7.6
666.26276	7.7
667.26862	2.2
668.27722	5.2
669.29065	2.7
675.27612	5.6
677.29590	3.9
686.28931	4.0
687.29883	4.7
693.28937	9.7
698.29071	25.1
703.27399	8.4
707.30731	36.6
711.29877	4.7
721.28534	26.7
725.31750	83.9
726.31671	3.6
729.30505	3.7
735.30353	10.4
739.29846	11.3
743.32837	25.0
753.31256	58.9
754.30756	2.1
757.30737	6.9
761.33630	3.4
771.32361	18.5
789.33289	11.4
801.34174	2.0
833.35376	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	848.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.5
61.02929	8.9
63.19834	0.7
65.03922	1.9
67.05506	78.1
69.03416	2.9
69.07060	6.3
70.35065	0.6
71.04997	4.0
73.02920	4.9
79.05495	13.8
81.03412	1.2
81.07059	29.8
83.08627	7.1
85.02907	13.0
85.06528	3.1
86.09702	1.8
91.03956	7.2
91.05485	11.0
93.07047	19.1
95.04963	1.3
95.08607	24.5
97.02888	5.7
97.06512	0.9
97.10151	1.6
99.04498	1.4
99.08080	0.9
103.03896	0.7
105.07034	5.4
107.08598	11.5
109.06561	0.7
109.10159	68.9
109.19941	0.6
110.10478	1.0
111.08071	2.7
117.07020	2.3
119.08590	10.6
121.10142	10.7
123.08016	0.8
123.11707	3.5
124.99998	1.4
125.09628	1.1
127.03895	3.3
131.08589	4.4
133.10124	3.8
135.11696	8.0
137.09610	4.0
137.13248	1.3
145.04968	4.3
145.10114	3.9
147.11702	3.1
149.13203	4.0
150.73865	0.6
155.10660	2.8
159.11667	3.0
161.13272	2.9
163.05991	4.7
163.14772	2.2
173.11758	20.3
173.13304	2.8
175.14832	0.9
184.07333	5.8
187.14862	1.5
189.11237	1.3
221.19118	0.8
227.12819	7.6
229.14357	100.0
230.14725	2.2
243.21088	4.5
248.16772	0.7
261.22159	17.3
275.92554	0.7
316.23520	0.7
317.24844	3.1
333.24411	0.9
335.25797	66.9
336.26035	1.6
379.29599	1.4
397.31012	1.4
415.32117	2.5
471.34665	1.8
489.35767	51.8
490.35785	1.8
507.36801	9.9
848.51501	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	849.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	10.3
69.03426	4.5
69.72902	7.3
69.73315	5.8
79.05492	6.8
80.05029	2.7
81.03414	12.0
81.05808	2.8
82.06600	2.4
83.04953	3.0
85.02909	6.3
91.05485	9.6
91.55055	2.2
93.07037	14.3
94.06573	27.8
95.04977	4.9
95.07338	16.4
95.08627	3.4
96.08128	38.6
97.02910	2.6
97.06551	3.6
99.04465	2.5
100.54673	1.9
103.05478	2.7
106.06570	2.5
107.07333	3.0
108.04490	10.3
108.08115	54.0
109.02866	6.4
109.08919	2.8
110.09683	65.1
118.06543	3.1
120.08100	52.7
121.08887	2.3
122.06036	26.0
122.09690	7.8
123.06834	2.5
127.03909	7.8
134.06039	6.0
136.07573	31.0
138.09142	78.1
138.10222	4.0
146.05986	4.3
146.09631	3.1
146.15495	1.8
148.07564	21.0
150.05498	3.8
150.09152	8.5
152.07089	6.9
158.09651	4.0
160.03952	24.5
160.07567	3.6
162.05577	2.5
164.07068	4.6
165.07930	1.9
166.08636	65.0
172.03896	2.3
172.07632	2.4
174.05510	5.0
174.09178	5.9
178.04968	3.7
184.07620	4.1
185.48364	2.0
186.09122	2.7
190.04956	2.4
192.06645	3.5
194.08092	3.2
197.10759	2.3
199.08694	5.5
200.10855	2.4
202.08696	1.9
204.06587	4.9
204.10358	2.4
209.10771	2.9
210.11508	5.4
211.08653	7.9
211.12276	10.7
212.09409	4.5
212.12988	2.3
213.06752	3.6
213.10239	14.7
216.10228	5.9
220.09920	2.4
221.10768	5.0
222.11472	5.9
223.08667	11.7
223.12354	8.1
224.09247	3.7
224.13033	3.6
225.06689	3.1
225.10219	51.7
225.13857	6.6
226.10950	24.4
227.08240	2.4
227.11804	20.7
229.13295	2.7
232.09659	3.1
235.08717	5.2
235.12273	3.7
236.09492	7.6
236.13019	2.1
237.10246	28.6
237.13840	10.2
238.10986	19.0
239.08165	24.6
239.11780	86.3
240.12607	20.0
241.09601	4.1
241.13336	11.2
244.09656	6.3
246.11331	3.5
248.09503	4.2
249.10268	17.3
250.10954	22.5
251.08162	14.2
251.11790	80.8
252.09000	5.6
252.12517	15.1
253.09753	28.4
253.13383	65.8
254.10507	24.5
254.14110	7.8
255.11215	3.9
260.09320	3.2
261.10101	2.2
262.10962	3.6
263.11826	44.0
264.09125	4.0
264.12573	10.3
265.09775	25.4
265.13367	73.8
266.10538	19.9
266.14005	7.3
267.11301	50.2
267.14792	8.0
268.12036	8.0
269.12921	7.5
271.10742	10.7
275.11929	7.2
277.09723	7.4
277.13370	5.7
278.10278	11.3
279.11270	49.5
280.12018	7.2
281.12851	92.1
282.10239	2.7
282.13507	5.5
283.10803	16.3
283.14194	4.4
284.11520	4.3
285.12329	31.9
286.13116	8.8
287.14294	2.6
291.11337	17.9
292.11963	6.3
293.09500	2.6
293.12805	36.9
294.13550	4.7
295.10797	8.6
295.14471	8.2
296.11530	5.9
297.12402	23.2
298.13187	10.2
299.13965	32.8
305.12842	3.4
307.10837	8.8
307.14328	3.7
309.12332	81.0
310.12991	5.1
311.13910	44.9
312.14648	2.7
313.12173	3.0
313.15427	12.0
314.13281	2.4
319.10782	6.9
320.11380	3.4
321.12375	18.7
323.10358	3.5
323.13934	8.9
324.11026	2.5
325.11789	7.9
325.15472	5.3
326.12775	3.2
327.13391	59.7
328.14517	3.0
329.12363	2.7
335.13977	4.2
337.11591	11.4
338.12628	3.7
339.13470	19.6
341.14948	80.6
343.13431	2.6
344.14182	5.3
351.09662	2.3
351.13480	10.4
353.15036	23.5
355.12756	3.0
355.16583	5.5
357.14627	7.4
358.15591	4.4
359.16144	6.2
366.68735	2.2
367.16879	3.0
369.14413	50.0
369.19028	2.6
370.15308	6.1
371.16101	23.9
372.17032	6.0
373.17789	4.3
374.18726	2.6
377.14990	2.9
381.14490	6.8
383.16125	8.4
384.17337	4.4
386.18707	4.1
387.15421	2.7
388.16635	2.7
393.14490	4.6
394.15558	2.3
395.16220	4.8
399.15436	6.4
400.16446	4.2
401.17068	8.3
402.18109	2.6
407.16077	8.5
411.15488	27.1
412.16080	4.2
413.16986	18.7
414.18109	8.4
416.19656	7.6
418.17679	2.5
420.19409	3.7
423.15570	5.5
425.17172	17.6
429.16574	22.3
430.17511	6.2
432.19165	6.3
435.15677	16.8
437.17245	10.1
439.14828	3.8
440.15402	2.6
441.16293	7.2
442.17249	3.9
443.18182	19.6
444.18768	4.2
446.21255	2.8
447.15408	4.8
448.18561	5.5
451.14581	3.4
452.15512	2.2
453.16565	72.4
455.18051	16.1
460.18594	7.0
462.20175	5.6
465.16895	10.2
467.18140	9.3
469.15976	2.7
471.17657	45.2
473.19315	9.6
474.20190	15.2
480.21194	8.7
481.15988	6.1
483.17841	12.2
485.19305	14.4
492.21524	11.1
495.17697	3.7
497.19431	11.9
501.18488	2.9
502.19815	3.4
503.20074	7.9
506.22940	3.9
513.18268	17.0
514.19238	2.6
515.20288	28.6
516.21320	2.8
522.22430	26.4
534.22467	24.4
540.21051	3.0
544.24908	3.2
556.20648	9.9
562.21661	5.8
568.20544	6.0
572.23590	4.0
573.24567	4.7
574.21844	11.8
575.25513	7.2
576.23627	2.6
582.23499	3.0
586.21954	19.9
588.23395	38.8
590.24255	3.6
592.22736	15.4
594.24542	53.2
595.25165	6.2
600.23413	33.4
603.25696	6.2
604.22632	12.9
606.15033	4.2
606.24493	70.2
618.24500	57.1
624.25513	100.0
625.26013	3.4
627.27698	3.3
631.25555	5.7
632.25500	8.3
636.25549	87.9
650.26801	3.1
654.26697	3.0
657.29565	2.7
664.24945	9.1
667.26880	4.7
668.27716	2.7
669.28619	2.4
675.27557	4.0
677.29315	3.3
687.29608	6.1
693.29541	18.6
696.30963	15.5
703.27283	7.5
707.30713	25.9
711.30042	7.6
721.28394	28.0
725.31805	75.8
726.31122	2.7
729.30719	4.8
735.30957	9.8
739.29779	16.0
743.32990	21.7
753.31219	54.0
757.30444	8.2
761.34155	4.1
771.32281	22.7
789.32935	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	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.2
61.02930	12.7
61.15176	0.9
65.03930	3.0
67.05506	100.0
68.05849	1.2
69.03412	2.6
69.07071	9.5
70.16444	2.7
70.16869	2.2
71.04978	4.0
71.08632	1.0
73.02911	3.7
79.05491	19.7
80.22313	1.0
81.03414	1.8
81.07059	40.5
83.04985	1.4
83.08608	8.1
85.02422	1.3
85.02904	15.1
85.06545	4.4
86.09695	2.1
91.03954	8.1
91.05484	13.9
93.07044	28.2
95.04955	4.0
95.08609	30.6
97.02899	8.2
97.06503	1.8
97.10141	2.6
99.04431	1.6
105.07024	7.8
107.08591	15.0
109.02922	1.6
109.06603	1.0
109.10157	73.8
110.10453	1.2
111.08068	2.2
115.03937	1.1
117.07029	3.7
119.08571	11.9
121.10153	12.2
123.11679	4.2
124.99936	1.2
125.09674	1.5
127.03910	3.8
131.08585	6.3
133.10144	6.4
135.11690	8.3
137.09602	3.5
137.13223	1.3
142.67151	0.9
145.04985	2.6
145.10146	5.8
146.05641	1.0
147.11656	5.5
149.13251	4.2
155.10602	2.8
159.11708	4.5
161.13290	2.5
163.05948	5.5
163.14795	3.2
173.11755	20.3
173.13234	2.6
179.14172	1.2
184.07341	4.8
187.14906	2.4
213.14844	1.1
213.50043	0.9
227.12766	7.3
229.14360	93.5
230.14737	1.7
243.21095	6.1
261.22153	19.9
317.24704	2.6
319.54987	1.1
335.25809	74.4
336.26196	2.6
373.18454	1.2
379.29715	1.2
397.31036	2.4
410.26883	1.2
415.32239	1.3
454.64203	0.9
471.34662	2.2
489.35757	70.5
490.36151	1.9
507.36990	7.6
703.96167	1.2
848.48669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06533	0.4
60.04986	0.3
61.02931	4.6
66.96832	0.4
67.05508	4.0
69.03419	2.7
69.07078	1.5
69.32811	0.6
69.33210	3.6
71.01356	0.5
71.05005	0.5
73.02924	3.2
79.05493	4.2
81.03027	0.3
81.03410	1.9
81.07059	4.7
83.04988	0.6
83.08643	1.0
85.02911	3.9
86.09724	0.5
91.03963	2.7
91.05478	4.6
93.07047	5.0
95.04989	1.1
95.08588	2.5
97.02885	3.6
97.06506	0.6
99.04491	0.7
100.17193	0.4
101.02375	1.9
105.07017	3.4
107.04953	0.4
107.08582	2.2
109.02916	0.7
109.06467	0.4
109.10181	0.9
117.07033	0.7
118.85893	0.3
119.08606	2.4
121.09409	0.4
121.10179	1.6
123.08099	0.6
125.00073	0.4
127.03943	1.1
129.06992	0.5
131.08589	1.4
133.10156	2.0
135.11743	1.1
145.10162	0.9
147.11703	1.2
149.09634	0.6
149.13263	0.7
159.11705	0.6
161.13310	0.7
184.07414	1.6
185.04352	0.7
200.97806	0.4
201.03777	0.5
203.05325	0.5
243.08394	3.6
259.07739	0.3
259.20721	0.6
277.38312	0.4
301.08975	1.9
315.10541	0.6
317.21155	0.5
333.20374	3.1
373.11871	0.5
373.23352	0.6
383.16315	0.4
431.24139	0.7
439.19437	0.9
453.20938	1.8
465.21240	1.1
469.20282	0.6
504.19089	0.4
520.12695	0.4
535.28833	7.3
541.22467	0.7
551.28278	6.4
623.30377	1.3
733.40454	0.5
747.42896	0.7
763.42334	0.5
775.42310	0.6
845.50177	100.0
846.50671	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	845.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19936	0.8
67.44767	1.0
71.59652	0.9
71.60028	1.5
73.46881	0.9
86.09696	1.8
119.70252	0.8
125.00093	0.9
126.27220	1.0
136.17155	0.8
184.07343	4.5
223.62752	1.1
324.56595	1.1
457.36887	1.0
551.26642	1.1
643.49353	1.0
671.37982	1.0
789.25177	1.1
841.77826	1.0
845.48138	100.0
846.49121	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	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.8
62.27613	0.3
65.03954	0.4
67.05510	5.9
68.98566	0.3
69.03434	3.3
69.07081	1.9
71.05003	0.5
71.58501	0.5
73.02924	3.3
76.43522	0.4
79.05500	4.2
81.03439	1.6
81.07063	4.7
83.04997	0.7
83.08641	1.0
85.02913	4.6
86.09705	0.5
91.03968	2.1
91.05484	3.7
93.07051	5.5
95.04988	1.1
95.08619	2.6
97.02901	3.9
97.06547	0.6
99.04507	1.0
101.02394	1.9
103.03984	0.5
103.57159	0.3
105.07040	4.1
107.08605	3.0
109.02900	0.8
109.10179	1.4
115.03991	0.5
117.07051	1.3
119.08605	2.3
121.10184	1.5
125.00035	0.5
127.03938	1.1
129.05498	0.6
129.07019	0.6
129.44044	0.4
131.08591	1.4
133.10132	2.4
135.11746	1.1
143.08591	0.5
145.10178	1.3
147.11760	1.2
157.10175	0.6
159.11694	0.7
161.13278	0.4
171.11772	0.4
173.13309	0.6
184.07350	1.9
185.04283	0.5
203.05319	0.5
243.08435	4.1
259.20602	0.9
301.09164	1.7
301.12469	0.4
315.10535	0.8
333.20453	3.4
356.93320	0.3
373.23679	1.0
397.18625	0.5
439.19455	0.5
453.21167	0.7
465.21097	1.5
469.20529	0.6
519.66571	0.5
535.28851	9.6
541.22308	0.5
551.28363	5.8
573.57935	0.5
623.30487	1.5
845.50226	100.0
846.50537	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	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36522	0.6
60.08165	1.0
61.02922	3.8
65.03965	1.0
67.05507	17.3
68.05844	1.4
69.03448	3.8
69.07068	7.4
70.07382	0.8
71.01360	0.7
71.04997	1.3
73.02921	3.3
79.05491	12.7
80.05840	0.9
81.03421	2.4
81.07061	18.2
82.07404	2.8
82.24095	0.6
83.04986	1.6
83.08627	4.1
85.02910	4.6
85.06541	0.9
86.09696	3.4
87.10059	0.6
91.03972	1.8
91.05486	9.5
92.05833	1.1
93.07047	13.3
94.07395	1.7
95.04983	3.8
95.08614	11.1
96.08893	1.4
97.02897	4.1
97.06541	1.9
97.10193	1.9
98.20741	1.5
99.04427	0.8
99.08138	0.9
101.02388	1.9
103.03950	0.8
105.07033	7.6
106.07366	1.9
107.04972	1.7
107.08605	9.2
108.08928	0.8
109.06539	1.0
109.10157	6.2
110.10488	0.6
111.08113	1.4
115.23631	0.6
117.07024	2.8
119.08595	6.7
120.08917	0.9
121.06544	1.0
121.10162	5.7
122.10470	1.0
123.08092	0.6
123.11731	1.1
125.00062	2.4
125.09637	2.2
127.03902	1.2
129.07024	1.5
131.08594	3.6
132.08945	1.2
133.10143	5.3
134.10478	0.9
135.08076	1.4
135.11714	3.6
136.12053	0.6
137.09666	0.8
143.08577	0.9
145.10153	2.7
147.08119	0.7
147.11664	3.3
148.12102	1.1
149.09709	1.0
149.13309	2.6
157.10176	0.9
158.10402	0.6
159.11726	2.5
161.13272	1.3
163.11200	0.9
166.44563	0.6
171.11751	1.0
173.11789	0.8
173.13271	1.1
175.14909	0.8
177.12895	0.7
179.12489	0.5
184.07353	13.0
184.08963	0.8
185.04266	0.8
185.07759	1.0
185.13214	1.0
187.14920	1.4
189.12968	0.7
203.05251	0.6
220.87836	0.6
223.13380	1.0
227.13072	0.9
229.14421	2.0
230.14723	0.7
243.08376	4.0
243.20857	0.7
244.21678	0.7
259.20764	1.0
261.22235	1.0
262.22601	0.8
269.17477	3.1
270.17987	1.5
275.20227	1.6
276.20471	1.7
291.19659	2.0
293.21246	0.9
301.09116	1.8
315.10275	0.8
331.18948	2.0
333.24188	0.7
335.25775	8.0
336.26212	6.7
343.77704	0.6
349.24045	1.4
350.24109	0.8
353.56955	0.6
367.24847	1.4
368.25385	1.3
421.22284	0.8
435.89746	0.7
456.90717	0.7
490.36349	2.5
527.37268	0.9
528.38031	1.2
529.38617	3.1
530.39227	6.8
532.56042	0.6
535.28778	5.2
549.26746	9.4
609.45337	1.8
610.45435	5.9
621.29407	1.8
627.46478	1.0
628.46265	2.3
843.48627	100.0
844.48999	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.4
67.05505	6.7
69.03438	3.6
69.07082	1.9
70.62737	0.4
71.01356	0.6
71.04989	0.8
73.00137	0.4
73.02917	4.0
79.05494	4.5
81.03420	2.0
81.07056	5.6
83.05013	0.5
83.08625	0.6
85.02901	6.0
86.09699	0.7
91.03961	3.3
91.05483	3.2
93.07048	4.6
95.04987	1.0
95.08614	5.1
97.02897	4.8
97.06537	1.8
98.21489	1.2
99.04455	0.9
101.02391	2.1
105.07069	1.0
107.08598	2.5
109.02881	1.1
109.10158	2.2
115.03929	0.6
117.07063	0.5
119.08595	1.5
121.10166	1.5
123.11702	0.6
127.03954	1.4
127.07538	0.3
131.08568	0.8
133.10135	1.0
135.11705	1.3
137.05678	0.7
145.05000	0.4
145.10208	0.6
147.11537	0.5
147.72058	0.4
184.07375	2.8
185.04250	0.6
189.07745	0.4
233.05338	0.5
243.08426	2.2
291.15469	0.5
349.19882	11.7
364.64795	0.4
385.57303	0.4
405.22638	0.7
439.19882	0.7
453.21298	0.7
458.85623	0.4
519.29303	6.2
532.40369	0.5
567.27966	2.6
706.25458	0.5
845.50165	100.0
846.50201	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	842.563
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	3.3
61.02925	5.5
65.03939	4.7
67.05508	94.5
69.03422	6.5
69.07073	30.8
71.04988	5.8
71.07350	2.1
73.02927	4.1
74.90955	1.9
79.05495	59.2
81.03426	6.4
81.07062	100.0
83.04986	6.0
83.08618	16.2
85.02905	7.2
85.06538	5.2
86.09218	2.0
86.09714	24.6
91.03951	2.5
91.05489	46.2
93.07050	72.6
95.04967	9.3
95.08613	59.8
95.45231	1.7
97.02894	4.6
97.06544	9.6
97.10183	9.3
98.98444	2.8
99.04453	2.2
99.08074	2.7
103.05437	2.4
104.10770	2.9
105.07044	36.6
107.04943	3.9
107.08604	46.2
109.02866	1.8
109.06538	5.6
109.10172	38.2
111.08093	5.9
115.05459	1.9
117.07028	16.3
119.08588	32.7
120.08959	1.6
121.06487	6.0
121.10155	28.0
123.08067	4.5
123.11736	5.3
125.00018	13.7
125.09617	4.2
128.87927	1.6
129.07013	7.4
131.08574	25.6
133.06509	2.3
133.10138	27.3
135.08067	3.6
135.11679	14.4
137.09625	3.3
137.52753	1.6
141.07005	1.8
143.08571	4.7
144.29619	1.5
145.10143	17.5
147.08115	1.5
147.11708	13.9
149.09616	5.7
149.13280	13.6
151.11208	2.9
153.12762	1.8
155.08582	1.9
157.10121	4.9
159.11714	12.7
161.13277	10.4
163.11220	4.7
163.14807	2.7
169.10184	3.5
171.11719	5.9
173.11836	3.2
173.13301	8.8
175.14905	4.1
177.12772	4.5
179.30435	1.5
180.24298	1.7
183.11626	2.7
184.07343	77.6
184.09001	3.9
185.13181	4.5
187.14806	4.2
195.13858	2.8
211.14890	2.5
219.17532	2.3
227.12820	4.8
229.14290	16.0
231.66563	2.0
243.08371	3.8
243.21043	3.5
257.19000	3.7
259.20648	6.6
261.22079	10.4
269.17487	22.1
275.20129	18.3
291.19562	4.0
293.21042	2.1
331.18744	2.3
333.24231	5.7
335.25827	90.2
336.26196	1.8
349.23776	15.7
367.24954	11.3
421.22211	2.7
465.21375	2.4
489.35873	17.0
515.37091	2.1
527.37091	6.8
529.38947	50.2
530.39655	2.0
535.28473	3.3
537.00757	1.7
549.26636	5.9
569.42102	8.7
609.36212	2.6
609.45148	33.0
610.45575	2.1
627.46112	19.3
628.45197	2.0
842.53363	8.9
843.48621	85.5
869.07556	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.3
65.03951	5.8
67.05175	6.0
67.05509	100.0
67.93135	3.7
69.03419	19.7
69.07070	67.6
69.45730	24.5
69.46140	6.4
71.04996	23.0
73.02898	8.3
79.05495	81.1
81.03413	27.2
81.07058	100.0
83.04969	11.5
83.08614	16.4
85.02895	8.9
85.06499	4.6
86.09733	5.9
91.05476	61.7
93.07047	74.8
95.04970	24.2
95.08607	56.2
97.02893	11.4
97.06532	90.4
97.10171	9.5
98.21495	7.0
99.08077	6.3
105.07030	48.3
107.04939	11.1
107.08596	49.6
109.02830	5.1
109.06532	26.1
109.10151	28.3
111.08100	5.2
115.07584	29.1
117.07011	26.8
119.08566	28.4
121.06534	6.3
121.10152	28.5
123.08064	9.8
123.11697	8.7
124.01653	4.6
125.09625	5.0
127.03903	4.6
128.06224	4.0
129.07027	17.8
131.08588	30.2
133.06419	3.9
133.10104	28.3
135.08083	12.7
135.11696	15.8
143.08543	9.5
145.10092	22.3
147.08022	5.9
147.11655	15.6
149.13217	8.3
154.80792	4.0
157.10103	14.0
159.11700	16.9
161.09663	6.2
163.11220	4.1
173.04469	7.6
173.09576	4.6
173.13266	7.4
175.11174	6.4
177.12776	4.6
184.07314	19.4
185.13249	4.6
191.68068	4.2
193.10509	4.4
193.12279	5.5
195.13780	4.3
217.15933	11.5
242.72034	3.7
245.19102	4.4
261.22198	11.7
267.15881	9.1
269.17477	17.0
273.18448	28.3
278.97516	4.6
291.19537	15.9
335.25778	88.8
347.22076	14.8
365.23187	16.6
527.37012	4.5
529.38666	29.3
607.43079	6.1
625.44507	22.2
643.45148	6.9
768.32562	4.8
840.55139	4.0
864.89606	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79833	1.9
61.02916	2.9
65.03938	3.8
67.05505	68.3
69.03436	9.5
69.07065	29.9
69.50295	2.8
69.50699	14.1
71.04979	8.3
71.46566	1.9
78.14712	2.0
79.05493	60.9
81.03423	12.2
81.07053	100.0
83.04968	12.3
83.08620	15.5
85.02885	5.7
85.06534	4.1
91.05479	39.6
93.06472	4.0
93.07041	66.2
95.04961	19.4
95.08607	52.2
97.02887	2.2
97.06526	17.3
97.10165	22.1
99.04443	2.1
99.08108	3.1
103.05486	1.9
105.06317	1.7
105.07024	39.1
107.04961	9.4
107.08588	44.5
109.06509	17.1
109.10160	25.4
111.04436	9.0
111.08067	7.4
113.06020	2.6
115.07559	3.7
117.07037	15.2
119.07795	3.0
119.08582	29.7
121.06501	9.1
121.10133	20.5
123.08060	23.0
123.11686	5.6
125.09624	20.9
128.06230	2.5
129.05492	2.2
129.07007	5.8
131.08569	20.8
133.06485	5.0
133.10124	19.8
135.08072	9.3
135.11699	17.2
137.09605	8.7
139.11142	3.4
143.08598	4.9
143.10767	2.3
145.10141	18.6
147.08063	10.5
147.11655	7.8
149.09613	8.3
149.13261	5.7
153.09085	4.1
153.12737	7.0
155.08490	2.9
157.10124	6.8
159.11697	11.4
161.09605	7.4
161.13235	5.6
163.11182	13.8
165.09103	5.2
168.69672	2.3
169.10170	3.4
171.10237	2.2
171.11655	7.1
173.09595	3.9
173.13318	4.6
177.12717	3.8
181.10326	1.9
181.12289	7.4
183.11693	2.7
184.07335	3.8
185.13290	2.5
187.14796	3.6
189.11215	16.3
189.12717	3.9
189.88661	2.1
191.10713	6.3
193.12335	4.4
223.13263	2.9
227.12753	18.7
227.18065	2.7
243.21008	3.4
245.18947	3.9
255.17529	3.5
259.20703	2.6
261.22092	9.6
273.18491	35.9
275.20050	5.5
283.15427	3.3
291.19537	73.7
291.22827	3.5
292.19919	2.4
296.73874	2.3
309.20688	12.0
317.25302	2.1
333.24265	2.1
335.25797	89.9
347.22308	10.0
365.23242	39.4
383.24234	31.5
529.38611	3.4
551.40894	3.0
607.43378	7.4
625.44562	47.8
626.44507	2.8
643.45709	43.2
741.51691	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.4
65.03935	5.2
67.05504	90.5
68.19548	2.3
69.03425	16.5
69.07069	67.0
69.07455	3.7
69.34133	25.6
70.41785	2.3
71.04996	24.7
73.02906	5.5
79.05493	72.3
81.03431	15.9
81.07058	85.4
83.04982	10.9
83.08625	14.6
85.02908	9.2
85.06539	6.1
86.09750	2.9
91.03983	2.6
91.05479	56.0
93.07046	84.2
95.04974	15.1
95.08608	63.3
97.02892	11.9
97.06528	86.8
97.10185	5.9
99.04440	3.2
99.08110	6.0
105.07028	43.5
107.04973	9.5
107.08593	44.4
109.02872	4.3
109.06542	13.8
109.10162	26.6
109.15914	2.4
110.13715	2.5
111.08074	8.3
113.05988	2.9
115.07577	27.7
117.07041	19.4
119.08591	33.5
121.06499	6.7
121.10142	29.5
121.10936	3.6
123.08080	7.5
123.11712	5.7
124.99986	3.4
127.03937	8.5
129.07027	12.0
131.08574	28.7
133.06503	5.3
133.10141	23.1
135.08066	10.5
135.11703	16.4
137.09605	3.3
143.08574	9.4
145.04985	2.6
145.06487	2.7
145.10138	17.0
147.08081	5.3
147.11627	13.1
149.09599	6.4
149.13277	11.4
151.11195	5.2
155.08568	4.2
157.10152	11.2
159.08049	3.2
159.11676	13.9
161.09608	9.2
161.13281	5.8
161.55287	2.2
163.11177	3.6
169.10197	3.1
170.02267	2.3
171.11702	7.0
173.04539	5.9
173.09732	4.2
173.13249	8.0
175.11217	4.9
175.14824	3.3
183.11620	2.9
184.07373	7.9
185.13177	6.1
187.14804	2.9
189.05313	2.4
189.16397	2.9
195.13712	3.5
197.13281	3.8
199.14748	2.7
201.07564	2.7
214.86829	2.5
217.15919	9.9
219.13831	2.6
226.35027	2.5
227.17891	2.4
233.15506	2.5
243.20891	3.0
245.19107	5.6
253.14273	3.4
261.22110	11.7
269.17474	10.8
273.18463	35.3
291.19489	14.4
297.16870	3.8
335.25790	100.0
347.21994	12.9
365.23410	13.7
498.02460	2.7
529.38971	22.1
607.43610	14.1
625.44617	27.1
643.45575	13.7
730.19916	3.0
744.14441	2.5
787.50421	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	3.8
67.05506	89.8
69.03422	6.7
69.07067	37.5
70.09055	14.2
71.05004	8.4
73.02908	4.1
73.06911	2.6
77.03970	2.5
79.05495	73.4
81.03426	12.3
81.07060	100.0
83.04978	11.4
83.08634	23.1
85.02908	8.9
85.06538	6.3
85.76799	2.6
86.09710	12.4
87.04465	10.3
91.05483	76.2
93.07050	83.3
95.04980	16.7
95.08610	61.2
95.09164	5.2
97.02902	6.4
97.06522	13.8
97.10165	8.4
98.21420	2.9
99.08085	3.1
105.07032	74.8
107.04922	5.8
107.08604	50.5
109.06515	10.2
109.10165	30.2
111.04375	3.4
111.08048	7.8
115.05466	4.6
117.07012	29.7
119.08594	54.2
121.06521	6.2
121.10143	39.9
123.08071	7.3
123.11739	9.1
125.00047	6.0
125.09629	2.6
127.03919	4.2
128.06215	4.3
129.07016	19.8
131.08574	43.2
133.10132	47.6
135.08072	7.4
135.11684	28.7
137.09592	5.3
141.07031	7.5
142.07811	4.6
143.08543	18.8
145.10129	39.6
145.11165	4.5
147.08055	4.1
147.11691	31.9
149.09624	11.7
149.13243	10.0
153.06963	2.5
155.08563	9.5
157.10126	16.2
159.11705	26.8
161.09564	2.9
161.13254	15.6
163.11157	9.1
167.08534	2.6
169.10150	11.8
171.11665	15.7
173.04437	3.5
173.09676	3.5
173.11882	3.0
173.13193	12.6
175.14900	8.5
177.12985	2.6
179.08630	2.8
179.14281	2.5
181.10199	5.3
181.12344	4.1
183.11723	10.0
184.07341	35.3
185.13274	14.6
187.14795	6.5
189.12685	4.1
195.11732	8.2
195.13701	4.3
197.13261	7.9
199.14879	7.6
201.16479	2.8
207.11707	3.4
209.13245	5.3
211.14922	3.6
219.17363	3.5
223.14899	3.6
225.16408	2.9
229.14418	5.6
231.21107	5.2
237.16512	3.2
239.18124	4.2
241.19571	15.3
247.20561	3.0
253.14397	3.8
255.15904	11.8
257.19058	3.9
259.20618	39.7
261.22116	3.1
269.17490	17.0
273.18625	5.7
275.20139	16.0
293.21014	3.1
313.21558	4.4
315.23239	7.9
323.24103	3.4
333.24216	44.7
335.25851	10.9
349.23752	9.5
365.23459	6.6
367.25113	3.4
435.32623	9.1
453.33710	4.8
497.36429	3.6
509.36511	2.6
513.35425	21.1
515.37714	5.3
525.35742	4.6
527.37347	40.2
531.36597	3.5
533.38660	4.4
545.37958	8.9
607.43628	32.3
608.43262	3.1
625.44574	36.0
678.43542	4.0
769.48022	3.5
841.46381	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	3.6
60.15502	1.7
61.02921	5.4
65.03932	5.4
67.05506	100.0
69.03436	12.3
69.04747	1.3
69.07069	45.5
71.04976	8.3
71.58472	2.8
73.02917	2.6
79.05494	87.6
81.03413	7.5
81.07058	95.8
83.04987	11.9
83.08615	24.4
85.02892	8.2
85.06531	5.1
86.09708	10.9
91.03974	3.3
91.05481	92.4
92.05763	1.5
93.07047	99.4
95.04972	17.4
95.08609	68.8
95.09232	2.7
97.02898	5.4
97.06550	13.3
97.10175	19.3
99.04443	2.5
99.08096	3.3
103.05452	3.6
105.04488	2.0
105.07036	97.2
107.04968	9.4
107.08598	66.9
109.06528	10.6
109.10163	35.6
111.04424	1.8
111.08123	7.4
113.06050	2.3
115.05490	3.9
116.06224	2.3
117.07020	34.6
119.08584	71.7
121.06496	5.9
121.10148	38.5
123.08054	5.6
123.11727	11.4
125.00025	7.4
125.09644	15.7
127.03931	2.5
128.06216	7.6
129.05511	3.4
129.07010	26.9
130.07845	2.1
131.08572	50.9
133.06474	4.6
133.10135	60.0
135.08070	8.6
135.11691	24.1
137.09619	5.9
139.11174	1.9
141.06989	6.7
142.07761	4.9
143.08575	27.5
144.09303	2.7
145.06490	1.8
145.10120	46.3
147.08046	3.5
147.11693	38.9
149.09604	13.0
149.13257	13.0
151.11176	3.8
155.08554	17.9
156.09297	2.8
157.10129	29.2
159.08035	3.1
159.11685	35.5
161.09634	3.7
161.13255	24.7
163.11185	8.7
163.14853	2.9
165.06984	2.4
165.09131	1.5
167.08548	6.3
168.09375	2.9
169.10117	20.1
170.10866	2.3
171.10266	3.4
171.11681	23.3
173.04373	1.5
173.09616	2.3
173.11781	3.8
173.13293	17.1
175.11195	4.1
175.14847	9.4
177.12753	3.9
179.08624	3.1
181.10141	10.7
182.10957	1.9
183.11662	19.4
184.07347	41.7
185.13274	19.5
187.11185	2.5
187.14877	6.7
187.77666	1.8
189.11214	7.7
189.12817	5.3
189.16438	2.5
191.14320	2.1
193.10207	3.4
194.94930	1.8
195.11646	8.8
196.12198	1.7
197.13293	12.9
199.14873	11.4
201.12810	2.7
201.16498	4.2
203.14432	2.3
207.11751	4.6
209.13249	7.8
211.14862	9.5
213.12831	1.7
213.14676	2.1
213.16411	6.7
215.18010	3.2
221.13330	3.5
223.14893	5.7
225.16393	5.6
227.12758	10.5
227.17950	2.3
229.14223	7.7
229.19568	3.5
231.21048	2.3
235.14888	4.4
237.16388	4.1
239.17986	6.5
241.19490	19.1
247.15027	2.1
251.18028	2.5
253.19684	2.1
257.19055	12.0
259.20572	54.1
261.18530	1.8
261.22156	2.0
263.17975	2.2
269.17328	8.6
273.18497	2.3
275.20071	25.3
277.21835	3.1
279.21164	2.1
283.20648	2.4
291.19540	4.2
293.21051	2.4
297.22098	3.8
299.23679	2.1
311.20099	1.9
311.23624	2.6
313.21570	2.1
315.23193	6.2
323.23853	2.3
325.21692	1.9
331.22665	4.8
333.24280	50.7
335.25897	5.6
339.23010	1.8
347.22678	1.9
349.23819	22.4
350.23886	1.6
353.24341	1.9
365.28311	4.9
367.25897	2.3
375.26324	2.4
421.30908	4.7
435.32559	6.2
439.32043	3.4
445.30499	2.2
453.33893	2.7
459.32385	2.2
463.31631	1.8
473.33463	1.9
485.32779	2.0
487.34045	3.8
495.34647	4.3
501.35812	2.1
503.33771	3.6
509.36255	2.4
513.35815	30.9
515.38678	7.0
525.35535	1.9
527.37384	29.2
533.39655	5.7
539.36993	1.8
545.38263	4.0
551.40417	4.6
567.40564	7.8
589.42194	2.8
597.45300	2.0
606.33447	1.8
607.43573	66.2
625.44659	63.5
626.44354	3.3
643.44342	2.0
840.50317	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29938	2.5
59.83447	2.8
61.02932	33.3
67.05502	66.4
69.03420	8.5
69.07061	9.2
70.64777	9.6
71.04980	3.6
73.02925	14.0
79.05496	27.8
81.03419	7.8
81.07057	58.4
83.04961	2.6
83.08617	8.5
85.02422	4.2
85.02908	54.4
85.03419	3.2
85.06553	5.4
86.09705	8.4
91.03405	3.7
91.03961	46.1
91.05471	21.2
93.07045	45.8
95.04979	8.8
95.08610	58.1
97.02888	26.2
97.06521	5.1
97.10163	5.3
105.07019	15.5
107.08606	31.9
109.02905	2.9
109.06507	4.3
109.10157	30.7
111.08038	3.4
117.07013	9.0
119.08585	16.8
121.10154	27.1
123.08070	2.6
123.11685	16.2
125.00018	3.9
127.03939	20.0
129.05484	3.4
131.08565	19.0
133.10159	10.7
135.11691	22.6
137.09653	2.9
137.13251	6.3
139.11252	4.2
145.04955	25.7
145.10156	14.0
147.11703	12.1
149.02284	2.8
149.09616	4.0
149.13252	21.2
151.11148	4.5
159.11656	16.6
161.13235	10.4
161.14584	2.7
163.06021	53.5
163.11154	4.2
163.14838	15.3
165.12726	4.1
173.11949	2.9
173.13248	14.2
175.14844	4.1
177.16446	5.4
179.14317	4.7
184.07404	24.0
187.14851	8.5
193.12347	2.6
243.21086	35.9
261.19388	5.9
261.22131	100.0
262.22571	4.0
335.25769	39.9
353.26843	66.0
354.27075	5.5
497.30911	13.0
678.43793	4.1
710.02264	2.9
839.40680	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	3.8
66.74402	1.9
67.05167	3.6
67.05507	55.5
69.03433	9.1
69.07066	45.1
71.04996	3.5
71.08606	2.0
79.05058	3.9
79.05495	62.1
81.03426	7.1
81.06577	3.3
81.07056	62.5
82.07384	1.9
83.04981	8.9
83.08628	21.1
85.02885	3.0
85.06541	3.8
86.09728	3.2
87.04461	5.2
88.06773	1.9
91.05479	66.3
93.06467	4.1
93.07041	59.2
95.01294	2.3
95.04978	16.8
95.08601	42.5
97.02902	10.6
97.06525	10.9
97.10170	18.4
101.23393	1.8
103.05451	2.5
105.07030	66.4
107.04942	12.7
107.08588	40.2
109.06520	6.0
109.10159	20.4
111.08078	6.6
115.05495	4.2
117.07003	23.4
119.04936	2.2
119.08582	54.8
121.06514	4.7
121.10113	16.0
123.08090	6.2
123.11674	3.9
125.09627	18.0
127.03970	2.3
128.06219	2.5
129.06993	16.8
131.08568	34.9
133.06505	3.9
133.10129	37.7
135.08054	7.5
135.11674	13.9
136.06137	4.5
137.05957	2.1
137.09663	4.2
138.65964	1.8
141.07022	4.2
142.07762	4.1
143.08565	12.8
145.10132	23.4
147.08043	6.7
147.11681	29.5
149.09622	9.8
149.13275	6.2
151.11183	1.9
155.08577	4.2
157.10107	16.3
159.11713	17.7
161.09645	5.1
161.13266	18.3
163.11163	5.8
165.06940	2.0
169.10120	6.8
171.11697	11.1
173.13278	8.2
175.11160	4.7
175.14828	8.0
177.12759	3.6
179.14403	2.7
181.10110	2.5
183.11630	4.6
184.07410	11.2
185.13235	10.1
187.14781	4.6
189.11223	8.8
189.12755	2.4
189.16331	3.1
195.11711	2.4
197.13249	3.9
199.14844	6.9
199.74860	1.9
200.15395	2.0
203.14258	2.7
213.16422	4.4
219.17503	5.5
223.13295	10.3
227.12720	11.0
231.21097	3.7
239.17984	3.3
241.19530	20.5
249.14868	5.0
257.18994	5.4
259.20569	44.3
269.17429	4.7
273.18478	11.9
275.20068	17.7
283.20374	2.0
291.19537	100.0
299.23749	3.6
307.20502	2.3
315.23242	8.4
321.70865	1.9
331.22803	2.2
333.24268	52.8
349.23764	10.7
355.44696	2.0
365.23251	47.4
379.30084	4.3
503.33533	2.2
525.35529	15.5
529.35156	7.3
531.38635	5.3
543.36798	28.8
605.41644	10.8
623.43011	79.7
624.43433	4.5
641.43677	6.9
676.47357	2.4
838.52563	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	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	4.3
67.05508	83.3
67.05871	4.2
69.03429	4.5
69.07072	25.7
71.04993	6.1
71.58487	2.7
71.58870	3.5
79.05501	63.1
79.05958	3.7
81.03429	9.7
81.07059	93.5
83.04974	17.3
83.08619	13.2
85.02915	4.7
85.06548	3.8
87.04461	4.1
91.05485	100.0
91.68227	2.7
92.05768	2.7
93.07048	62.2
95.04958	10.2
95.08610	46.9
97.06533	10.9
97.10157	4.1
103.05462	4.6
105.07037	94.7
107.04972	7.4
107.08603	48.6
109.06533	8.9
109.10150	48.7
111.08089	7.0
115.05450	5.0
117.07001	21.4
119.04932	3.4
119.08583	57.6
119.09350	4.7
121.06527	8.7
121.10155	21.2
123.08082	6.9
123.11710	8.8
125.09573	3.0
128.06204	3.2
129.07037	13.0
131.08565	34.2
133.06517	5.7
133.10136	88.3
135.08076	11.0
135.11708	20.6
137.09702	3.6
143.08582	16.4
145.10120	25.9
147.08035	6.8
147.11714	29.6
149.09628	7.3
149.13234	5.6
151.11185	26.6
155.08536	4.9
157.10141	16.1
159.08080	4.5
159.11725	17.7
161.09621	12.1
161.13303	14.6
163.11192	5.3
163.14818	3.9
167.08533	3.2
169.10124	5.7
169.12254	2.9
170.10735	3.1
171.11685	14.3
173.13301	11.7
175.11244	4.5
175.14847	8.0
177.12680	2.5
181.10149	4.9
183.11694	6.9
184.07317	8.9
185.13280	10.1
187.14799	5.6
189.12813	4.2
192.60968	3.3
195.11659	2.7
195.13774	3.1
197.13174	3.6
199.14821	8.0
215.12744	3.6
225.16243	2.8
231.21088	5.3
239.18066	3.2
241.19542	16.8
245.18996	3.6
253.14355	46.6
257.18948	4.7
259.20593	47.9
263.20038	5.0
273.18582	15.0
275.20071	3.7
287.20270	3.4
291.19495	19.2
315.23419	7.2
331.22879	3.8
333.24255	39.1
335.25809	3.9
347.22232	5.1
363.21649	2.7
365.23294	30.0
369.15897	2.6
401.52957	3.4
437.30502	3.0
455.31326	5.0
501.35767	5.1
511.34039	12.2
529.35187	17.7
531.38635	3.5
543.36499	2.9
549.39362	4.6
605.42291	16.7
623.43024	54.9
624.43854	4.6
641.43835	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	836.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13182	0.2
65.03945	0.7
66.04722	0.3
67.05508	1.4
69.03425	0.5
69.07059	0.4
69.62203	0.9
69.62628	1.1
77.03930	0.5
78.04720	0.7
79.05492	3.3
81.03410	0.9
81.07042	1.4
83.04957	0.3
85.02884	0.6
85.18099	0.3
89.03956	0.3
89.28921	0.3
91.05476	3.8
93.03399	0.3
93.07039	1.2
94.04175	1.7
95.04964	2.2
95.08611	0.7
97.02882	0.4
97.06527	0.5
97.10174	0.4
98.21473	0.4
103.05468	4.3
105.03345	0.3
105.07037	3.9
107.04954	86.5
108.05264	1.3
109.06522	1.1
109.10168	0.5
111.04429	0.3
111.08059	0.3
112.67139	0.3
115.05434	1.9
117.07032	3.2
119.04935	2.7
119.08549	0.8
121.06512	1.5
122.03647	4.5
122.59760	0.3
123.04427	2.3
124.05209	0.8
125.05997	0.5
128.06221	0.9
129.07036	1.3
131.04932	10.4
131.08574	1.2
133.02817	0.3
133.06491	9.0
133.10126	0.4
135.04419	1.8
135.08052	0.5
136.05182	0.5
137.05975	100.0
138.06339	1.3
141.06990	1.3
143.04938	0.4
143.08604	0.8
144.05673	1.3
145.06483	6.3
146.03566	0.3
147.04402	2.6
147.08058	2.9
147.11804	0.3
148.05176	0.4
149.05984	0.5
151.03877	0.6
151.07549	1.6
152.04669	0.5
153.05504	1.0
153.07001	1.2
155.04951	0.3
155.07286	0.5
155.08549	2.4
156.05681	0.4
157.06511	1.6
157.10069	0.4
159.08072	2.7
160.05263	0.5
161.05949	3.1
163.03905	7.3
163.07538	14.1
165.05508	0.8
165.06995	0.5
165.09169	0.8
166.06282	0.5
167.07039	48.8
168.07439	0.8
169.06520	0.7
170.07249	0.4
171.08122	1.8
171.63129	0.3
173.05978	1.7
173.09651	0.4
174.06758	0.8
175.03917	3.0
175.07532	5.2
176.04727	0.6
177.05508	1.1
177.09103	7.2
179.07053	2.7
181.04990	0.6
181.06496	0.8
181.08640	0.6
183.08044	4.0
184.07320	0.3
184.08804	0.4
185.09613	4.1
187.07552	4.3
189.09091	1.6
190.06255	0.4
191.07033	6.4
193.08601	16.2
195.06525	5.1
197.08057	0.8
199.07562	2.2
200.08389	0.6
201.09119	1.7
203.06953	0.4
203.10689	1.2
205.08589	7.7
207.06525	8.3
207.10065	1.6
209.08046	1.5
213.09081	1.6
214.09909	0.7
215.10669	12.2
217.08626	1.2
217.12207	0.5
219.10153	8.4
223.09627	0.4
225.07541	3.9
225.09483	0.4
231.10150	14.7
232.10356	0.4
233.11722	2.6
235.07549	0.3
235.09697	1.1
243.10242	0.4
245.11662	0.6
249.11148	1.3
253.10721	1.2
263.06732	0.3
267.12338	0.5
275.10605	0.4
277.08636	0.5
281.11835	0.3
285.11230	0.6
295.09860	0.4
303.10196	0.3
307.13263	0.5
309.11258	0.5
315.12256	0.5
323.13025	0.3
323.16269	1.4
327.12390	0.4
335.12680	1.4
337.10358	0.3
337.14365	6.9
338.14731	0.3
339.15909	15.5
340.16266	0.4
353.17499	1.7
355.15378	5.8
367.15393	9.1
369.17014	11.8
370.17667	0.4
371.14981	1.1
373.16315	0.6
385.16483	5.4
397.16296	0.5
411.17596	0.6
413.19666	0.5
423.18097	0.4
427.17371	0.8
517.22205	1.7
547.23572	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.7
66.04694	0.4
66.62257	0.3
67.05494	0.9
69.07061	0.4
70.82555	0.3
71.59884	0.3
77.03973	0.3
79.05064	0.2
79.05495	2.5
81.03407	0.9
81.07049	1.4
83.08636	0.4
85.02908	0.3
89.55106	0.3
91.05487	1.8
93.07050	0.7
94.04192	2.1
94.12051	0.3
95.04953	1.0
95.08588	0.6
96.20882	0.3
97.02911	0.4
97.10192	0.3
101.20525	0.3
103.05467	3.9
105.03487	0.3
105.07009	1.3
107.04959	2.7
109.06505	0.7
109.10139	0.5
115.05464	1.2
115.79277	0.3
117.07018	2.4
119.04868	0.5
119.08571	0.5
121.06524	0.7
122.03664	4.1
123.04438	0.9
128.06177	0.5
129.07013	2.2
131.04932	10.8
131.08490	0.4
133.06480	0.7
135.04439	0.8
137.05975	100.0
138.06287	1.6
141.07036	1.2
143.04948	0.5
145.06470	2.7
146.07072	0.3
147.04382	0.4
147.08046	0.6
149.05963	0.6
149.09625	0.4
150.66780	0.3
151.07538	0.9
153.06964	0.5
155.08556	2.7
156.08937	0.3
157.06461	1.9
161.05974	2.5
163.03909	1.6
163.07544	24.3
164.07927	0.5
165.06999	0.5
165.09123	0.7
167.07040	21.6
169.06480	1.3
171.08078	0.5
173.05989	1.5
174.06822	0.4
175.07523	2.8
177.05537	0.7
177.09093	5.3
179.07060	2.4
181.06474	1.0
181.08595	0.9
183.08023	2.6
185.06046	0.3
187.07536	3.6
189.09108	6.1
191.07068	0.6
193.08655	1.4
195.06546	1.4
195.08099	0.4
197.08112	0.5
199.07477	0.6
201.09138	2.8
203.07059	0.7
203.10701	1.0
205.08536	1.9
207.06508	1.8
207.10170	1.8
209.08080	1.0
213.09132	1.6
214.09872	0.8
215.10664	16.8
216.11124	0.4
217.08640	0.6
219.10213	0.4
225.07632	0.9
235.09557	1.7
249.11267	0.4
253.10703	1.8
267.15967	0.5
275.12830	0.5
295.13342	0.5
297.11334	0.4
305.11710	0.9
309.14798	0.4
315.12332	2.3
331.13144	0.4
337.14343	8.7
339.11960	0.6
339.15918	9.4
341.13821	2.6
363.15848	3.0
367.15509	1.0
375.81812	0.3
381.16397	0.4
385.16385	1.8
403.17493	0.5
503.20459	0.4
517.22314	4.7
557.34869	0.5
584.57971	0.3
770.68750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55765	2.5
67.05494	10.5
69.03423	4.3
71.05013	3.0
79.05477	8.7
80.05003	5.8
81.03416	15.4
81.05789	2.6
81.07022	4.1
81.42684	2.5
82.30269	3.2
85.02891	9.8
90.99347	2.1
91.05460	11.4
93.05752	4.1
93.07029	15.0
94.06564	31.1
95.04977	7.1
95.07346	22.3
95.08608	3.0
96.08128	39.0
97.02885	8.4
97.06522	5.2
98.20687	5.2
103.05490	3.9
103.83855	2.6
105.07021	4.1
106.06475	3.4
107.07355	3.4
108.04452	9.6
108.08121	56.5
109.02877	7.2
110.09686	67.9
118.06550	4.3
119.04952	2.7
120.08108	48.2
121.06480	3.8
122.06026	31.6
122.09671	7.9
123.06805	5.4
124.07591	5.2
127.03902	9.6
132.04498	3.6
134.06020	5.6
136.07587	29.8
136.14618	2.5
137.05925	5.1
138.09132	89.3
146.06020	3.6
146.09648	2.9
148.07568	18.5
150.09119	11.3
152.07048	10.3
152.25012	2.8
158.09659	3.4
160.03918	30.5
163.07562	2.9
164.07043	6.5
166.08647	84.6
167.07190	2.7
168.10220	2.7
172.03966	4.1
174.05457	3.2
174.09033	3.7
176.10783	3.4
178.04996	5.4
178.08578	2.8
180.06442	2.5
181.05000	3.6
186.09209	3.8
190.04967	4.1
192.06650	6.5
194.08130	4.9
196.32941	2.7
199.08624	3.8
204.06520	6.2
204.10133	2.8
209.10780	3.2
210.11473	5.1
211.08704	11.0
211.12393	8.6
212.09245	2.8
213.10254	16.7
214.08571	4.5
216.10204	5.1
218.08185	3.2
221.10782	5.0
222.11411	5.6
223.08611	12.2
223.12267	8.2
224.09476	5.9
224.12973	4.3
225.10216	49.6
225.13753	6.4
226.11009	27.4
227.11810	21.0
232.09793	5.1
235.08638	10.8
235.12314	5.9
236.09300	4.5
237.10237	29.8
237.13911	8.5
238.10895	22.3
239.08171	29.3
239.11763	84.1
240.12537	22.8
241.09668	6.5
241.13336	6.9
244.09799	6.4
246.11214	7.2
248.09474	8.2
249.10260	19.2
249.13893	2.5
250.10986	24.0
251.08138	11.7
251.11778	88.3
252.09024	4.7
252.12543	18.6
253.09738	34.1
253.13353	71.0
254.10498	23.6
254.14156	6.1
255.11224	5.4
262.10983	3.4
263.11780	39.0
264.08893	4.5
264.12451	10.6
265.09760	28.1
265.13351	78.5
266.10538	17.5
266.14093	12.2
267.11298	55.4
267.14801	7.5
268.12067	6.9
269.12915	7.5
271.10818	11.1
271.14200	3.8
275.11755	5.0
277.09686	8.2
277.13345	7.5
278.10513	9.9
279.11307	51.7
280.12076	10.0
281.12851	90.8
282.13553	3.8
283.10757	15.3
283.14362	9.1
284.11526	4.2
285.12354	36.5
286.13077	9.1
291.11246	16.1
292.12079	4.9
293.09546	5.8
293.12784	37.6
295.11185	6.6
295.14374	13.3
296.11548	5.4
297.12302	19.5
298.13138	9.9
299.13922	34.7
305.12897	4.6
307.10788	9.2
309.08813	4.6
309.12311	76.3
310.12988	8.2
311.10593	2.7
311.13904	54.4
312.14465	5.3
313.15387	11.4
319.10751	10.7
321.12415	16.5
323.13931	9.4
325.11826	9.1
325.15427	3.5
327.13416	55.6
328.14322	4.0
337.11792	6.9
339.13516	14.9
341.14932	81.2
342.15866	4.5
351.13330	8.3
352.14227	3.1
353.14932	21.1
354.15991	2.9
356.17636	3.8
357.14557	9.0
358.15338	5.0
359.16086	7.9
360.17197	3.4
362.98645	2.8
367.12997	3.0
369.14493	48.6
371.16095	26.6
372.16885	7.5
381.14633	6.7
383.16037	8.3
387.16086	3.9
388.16269	4.9
393.14246	3.9
395.16245	3.6
399.15469	7.2
400.16370	4.5
401.16925	4.4
407.16208	7.8
411.15601	26.6
412.16516	4.9
413.17221	16.3
414.17828	6.0
416.19577	3.0
419.16241	3.5
420.19052	5.8
425.17093	28.9
429.16534	19.7
430.17581	4.5
432.18985	8.9
434.20609	4.2
435.15576	24.7
437.17017	4.0
439.15302	4.7
440.15475	3.2
441.16394	10.3
442.17386	6.5
443.18271	27.3
446.20807	3.5
448.18756	4.4
453.16589	73.7
455.18329	15.7
460.18555	9.8
462.20239	9.2
463.15097	4.2
465.16614	13.0
467.18192	7.5
471.17566	46.3
472.18298	4.5
473.19162	5.7
474.20441	13.9
479.18207	4.5
480.21082	9.7
481.15997	7.0
482.17276	3.2
483.17847	17.0
485.19135	14.4
492.21323	16.2
495.17560	6.2
497.18967	10.6
503.20224	11.9
506.22870	7.9
509.17932	6.8
512.21594	3.4
513.18787	21.1
514.19147	3.3
515.20343	31.1
522.22180	21.4
534.22083	25.5
556.20691	11.0
558.22028	3.7
559.22632	11.9
561.24902	12.9
562.21625	5.8
568.20764	3.7
572.23865	4.6
574.21881	22.6
582.24133	3.3
586.21765	21.6
588.23376	36.5
592.23108	17.9
594.24438	55.4
595.25208	5.6
600.23541	29.1
603.25751	8.1
604.22736	16.6
606.15027	4.6
606.24548	84.7
613.26447	3.5
618.24347	65.9
624.25507	96.3
627.27454	4.7
631.25153	4.6
632.25928	12.3
636.25464	100.0
650.26587	11.0
664.25317	6.4
668.27808	4.4
670.29474	4.6
675.27283	6.3
682.29694	36.2
687.30194	6.1
693.28998	13.6
703.27118	5.0
707.30548	34.2
711.30029	5.2
713.30042	4.2
721.28687	33.9
725.31744	87.5
735.29840	10.7
739.29346	11.6
743.32849	21.0
753.31262	47.4
757.30444	8.5
761.33392	3.4
771.32147	19.6
789.32941	7.7
817.36346	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.0
67.05504	5.5
69.03436	5.8
69.07077	1.5
73.02919	6.2
79.05498	3.8
81.03403	2.2
81.07043	6.1
85.02911	5.8
91.03961	2.7
91.05479	3.3
93.07047	5.4
95.08609	4.3
97.02901	5.4
97.06501	1.2
99.04449	1.0
101.02411	1.1
105.07047	2.9
107.08609	3.3
109.02918	1.1
109.10157	2.1
121.10169	2.2
124.00481	0.9
127.03948	1.2
131.08630	1.0
167.17114	1.1
203.05205	1.3
243.08577	3.6
333.20374	1.9
439.19507	1.3
519.29333	6.1
520.30463	0.9
551.28467	5.7
574.38013	1.1
829.50708	100.0
830.51355	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	831.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.2
65.03951	0.3
66.04710	0.3
67.05507	0.5
69.07108	0.2
69.24225	0.3
69.24625	1.8
69.67083	0.1
78.04724	0.5
79.05501	1.3
80.71700	0.2
81.03405	0.3
81.07049	0.6
85.02937	0.2
86.09711	0.2
90.58187	0.1
91.05476	1.5
93.07027	0.3
94.04189	1.7
95.04965	0.8
96.16558	0.1
97.02902	0.2
98.21537	0.4
103.05470	3.1
105.03412	0.2
105.07045	1.8
106.04169	0.2
107.04959	3.7
109.06532	0.4
111.04400	0.2
115.05486	1.1
115.22458	0.2
117.07043	1.8
118.04158	0.4
119.04992	0.2
119.08575	0.3
121.06548	0.2
122.03659	5.3
123.04450	1.4
124.05212	0.5
125.06045	0.2
128.06248	0.5
129.07019	0.8
131.04936	6.8
131.08662	0.4
132.05681	0.2
133.06487	1.7
135.04417	0.7
137.05984	100.0
138.06331	1.5
141.06999	0.5
143.04936	0.3
143.08560	0.2
144.05685	0.7
145.06488	3.2
146.03622	0.2
147.08116	0.4
148.05212	0.3
149.06004	0.4
151.03958	0.2
151.07582	0.4
152.04739	0.2
153.05548	0.4
153.07013	0.9
154.07788	0.3
155.07280	0.3
155.08549	2.0
157.06496	0.5
159.08070	0.7
160.05199	0.4
161.05986	2.3
163.03920	2.7
163.07556	11.2
164.07924	0.2
165.06985	0.4
165.09157	0.2
166.06201	0.2
167.07051	34.7
168.07381	0.5
169.06467	0.6
171.08049	0.9
173.05963	1.2
174.06732	0.6
175.07582	2.2
176.04726	0.5
177.05624	0.8
177.09129	6.0
179.07089	1.5
181.04968	0.6
181.06516	1.1
181.08574	0.6
182.07370	0.2
183.08060	3.1
184.05348	0.2
184.08768	0.2
187.07584	2.6
188.08237	0.4
189.09102	1.3
191.07059	3.8
191.08786	0.2
192.07558	0.2
193.08621	10.4
194.08989	0.3
195.06534	1.4
196.07320	0.7
197.07957	0.4
199.07573	1.4
200.08281	0.5
201.09109	0.6
203.07028	0.3
203.10715	0.4
205.08650	1.3
207.06549	0.9
207.10167	2.3
209.08078	1.1
211.07498	0.3
213.09116	1.4
214.09892	1.9
215.10689	10.4
216.11182	0.2
217.08633	0.6
219.08144	0.2
219.10146	4.3
225.07599	0.5
231.10173	6.8
231.12471	0.3
232.10645	0.3
233.11761	0.6
235.07523	0.2
235.09662	0.5
243.10153	0.2
245.11766	0.4
247.07539	0.2
249.11272	0.5
253.10739	0.7
266.05908	0.2
266.09531	0.2
267.12488	0.8
274.12131	0.2
275.10583	0.3
277.08603	0.3
279.10205	0.4
295.09564	0.3
303.10193	0.4
305.11725	0.3
307.09589	0.2
307.13306	0.4
309.11328	0.3
315.12241	0.4
327.12250	0.4
335.12714	1.1
337.14413	0.9
338.14661	0.3
339.12146	0.2
339.15909	0.4
341.13895	0.5
351.16046	0.2
353.17548	1.0
355.15155	0.2
367.15417	7.1
368.15991	0.7
369.17020	6.9
369.21735	0.4
371.14883	0.2
385.16318	0.9
393.17026	0.2
402.16660	0.5
403.17099	0.8
427.17700	0.3
428.17874	0.2
496.06689	0.2
497.28571	0.2
547.22968	0.5
552.09741	0.2
801.82300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.34
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.9
69.03413	0.8
71.58896	0.6
81.03433	0.8
83.04974	0.8
85.02901	1.0
87.26251	0.6
88.58294	0.5
91.05495	1.7
95.04971	0.8
97.02895	0.7
105.01040	0.7
105.07068	1.1
107.54978	0.5
131.04945	1.2
137.06006	5.2
138.06294	0.7
151.03937	1.0
159.04187	4.4
163.07544	0.9
166.08609	1.2
167.07057	1.4
173.35715	0.6
177.09023	0.7
189.05290	2.7
193.08586	1.2
201.05275	2.3
203.06805	1.6
205.08594	0.9
215.10760	0.7
227.97316	0.6
228.07649	1.4
229.08368	0.8
231.06285	18.2
233.07965	1.4
246.08899	0.6
246.19205	0.6
275.08997	2.2
300.64941	0.6
407.14862	0.9
411.14114	5.3
425.15771	1.2
426.16428	4.5
514.98022	0.6
631.25439	1.7
829.33917	100.0
830.33954	3.9
847.11578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80707	0.2
61.02926	5.2
65.03931	0.5
67.05504	4.7
69.03426	3.3
69.07060	2.0
70.12296	1.3
71.01339	0.4
71.04994	0.7
73.02916	3.8
79.05489	6.4
81.03426	1.5
81.07052	5.0
83.04988	0.5
83.08620	1.1
85.02905	5.2
85.06522	0.3
86.09710	2.3
91.03960	3.9
91.05479	5.4
93.07043	7.0
95.04993	1.2
95.08602	3.3
97.02891	4.8
97.06554	0.5
97.10154	0.5
98.20882	0.3
99.04452	0.8
101.02377	1.8
103.03949	0.4
105.07027	4.5
105.07681	0.4
107.08584	3.5
109.02907	0.8
109.10168	1.3
115.03934	0.4
117.07005	1.4
119.08580	4.0
121.10139	2.4
123.11725	0.3
124.99989	1.2
127.03930	1.6
129.05510	0.5
129.07027	0.7
131.08597	1.4
133.10138	3.5
135.11678	1.8
143.07025	0.3
143.08578	1.0
145.10139	1.1
147.11687	2.1
149.09628	0.4
149.13268	0.7
157.10101	0.4
159.11714	1.0
161.09631	0.3
161.13283	0.8
163.14906	0.3
169.23102	0.3
171.11711	0.8
172.95523	0.2
173.13268	0.4
175.14853	0.4
184.07323	6.0
184.08966	0.4
185.04248	1.5
185.07718	0.8
185.13306	0.6
199.14827	0.3
201.03693	0.5
203.05309	0.7
241.06944	0.6
241.19716	0.3
243.08391	5.1
243.10649	0.3
247.13089	0.5
259.20657	1.1
273.14758	0.3
289.38202	0.3
291.10785	0.3
301.08917	2.5
313.09055	1.1
315.10464	1.3
317.20865	1.9
341.12048	0.4
355.13672	0.7
369.15326	0.6
371.16953	0.5
373.11240	0.9
373.23691	0.6
383.16852	0.6
385.18408	0.9
392.51450	0.3
397.18518	0.6
415.24530	0.4
423.20544	0.5
429.26236	0.3
437.21588	0.5
465.21024	2.7
467.22623	0.4
495.22098	1.1
517.28436	0.5
525.22986	2.8
535.28766	18.6
536.29120	0.8
607.31024	2.5
621.31848	0.6
626.64325	0.4
627.98889	0.3
635.34253	0.5
649.36096	0.4
657.46039	0.3
677.38959	0.3
691.39911	1.0
731.44226	0.3
759.42688	0.4
829.50677	100.0
830.50854	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	829.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.0
64.68797	1.0
67.05499	3.7
69.03443	2.4
69.07076	2.0
70.06573	0.9
71.04993	1.1
71.59459	1.2
73.02930	1.7
79.05491	4.0
81.03424	8.0
81.07062	3.5
82.03754	1.2
83.04977	1.2
85.02909	3.7
86.09702	1.7
91.03942	1.1
91.05478	4.8
91.15128	1.2
93.07049	3.1
95.04963	3.8
95.08648	1.8
97.02905	1.9
104.10750	1.7
105.07040	4.8
107.04981	2.5
107.08619	1.9
108.08150	1.2
109.10156	1.3
113.22366	1.0
115.56171	1.0
117.07059	1.3
119.04912	1.6
119.08596	2.6
120.08117	1.0
121.06542	1.6
121.10145	2.2
123.04480	1.5
123.08074	1.1
124.99993	1.8
127.03912	1.9
129.06949	1.0
130.76575	0.9
131.04929	1.5
131.08626	1.4
133.06490	1.3
133.10175	3.1
137.05975	5.1
137.91786	0.9
138.06406	1.2
145.02892	2.2
147.04480	1.7
147.11722	1.7
149.05963	1.4
161.06004	1.2
163.03871	1.3
166.08804	1.4
177.05498	4.1
184.07355	6.0
187.07489	1.3
193.12207	1.2
231.08122	1.2
257.06448	3.6
267.15930	2.2
275.07550	2.1
283.10904	1.8
287.08023	5.6
288.08847	1.0
293.09055	1.9
305.08765	5.0
312.87784	1.0
321.12152	3.2
361.11633	2.4
414.18127	1.2
428.15738	1.3
430.17310	1.6
440.15897	10.4
441.16812	4.4
454.17209	1.3
458.16904	38.7
459.17532	1.6
472.18369	7.8
473.19205	3.6
486.20093	2.8
514.19580	7.7
523.16907	1.4
587.34277	1.6
630.35938	1.4
631.37079	3.3
635.24066	1.5
675.24731	2.0
707.26587	9.3
709.27167	2.0
793.41974	5.0
811.42755	3.3
829.32495	100.0
830.32770	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	827.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33420	0.5
59.05002	1.0
59.31379	0.4
61.02929	3.3
66.45271	0.6
67.05510	4.9
69.03429	3.6
69.07076	2.1
69.10361	0.5
69.82664	0.5
71.04998	2.2
73.02921	3.1
79.05501	4.2
81.03420	5.6
81.07059	4.2
83.04994	1.0
83.08612	1.2
85.02901	6.0
86.09745	0.5
87.04487	0.8
91.03955	2.9
91.05486	5.2
93.07037	3.8
95.04974	3.1
95.08625	2.6
97.02904	5.1
97.06546	1.5
97.10171	1.3
99.04459	1.0
101.02386	2.0
105.07027	2.7
107.04962	1.1
107.08595	2.7
109.02906	1.5
109.06509	1.0
109.10144	0.6
110.09713	1.0
111.04475	1.4
111.08098	0.8
117.07008	1.1
119.04965	0.8
119.08609	2.3
121.10157	2.9
122.06074	0.9
123.08123	1.2
125.09658	1.1
126.38633	0.5
127.03946	1.4
129.07034	0.8
131.05016	0.6
131.08559	2.4
133.10172	1.8
135.08066	0.6
135.11678	0.8
136.07628	0.9
137.06006	1.4
138.09171	1.5
145.10187	0.6
147.04408	0.9
147.08069	0.6
147.11736	1.6
149.09644	2.0
157.10152	0.9
159.11723	0.6
161.06100	0.6
163.11227	1.0
166.08684	1.5
175.11230	0.9
177.05556	0.8
181.12244	0.7
184.07405	1.5
189.11232	0.7
193.12334	1.6
233.11525	0.6
243.08420	4.9
267.16187	1.0
268.55362	0.6
269.12436	1.0
283.15155	4.8
301.08966	0.8
315.10699	0.8
331.17746	0.6
339.17776	1.0
349.19995	4.0
367.83090	0.5
383.16272	0.6
405.22705	0.8
451.19324	0.7
469.20572	0.7
497.20236	0.7
501.23123	16.2
567.27728	10.6
573.25336	1.1
737.36731	0.7
809.42200	0.7
827.43939	100.0
828.43713	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	826.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.8
61.02922	10.5
62.99831	0.8
65.03953	1.2
65.40588	0.9
67.05505	58.0
69.03435	2.8
69.07072	5.6
69.93792	4.1
69.94193	1.7
71.04998	2.1
71.08632	17.4
73.02921	2.4
74.64512	1.0
79.05479	2.5
81.03411	1.1
81.07059	16.4
83.08631	8.5
85.02905	12.4
85.06531	3.0
85.10180	11.0
86.09700	2.8
91.03960	8.8
91.05475	4.1
91.77628	0.8
93.07059	4.7
95.08612	16.1
97.02886	8.5
97.10178	3.8
99.04470	1.2
103.03905	0.9
105.07040	1.0
107.08582	1.7
107.33835	0.9
109.06508	0.9
109.10157	67.4
110.10554	1.1
111.08080	1.8
117.07011	1.2
118.16982	0.8
119.08606	4.7
121.46864	0.9
123.11718	2.4
125.00059	1.0
127.03928	2.3
131.08574	1.1
137.09633	3.1
145.04985	3.6
155.10692	3.0
163.06061	5.4
173.11749	22.7
184.07330	7.8
229.14357	100.0
230.14584	1.7
239.23637	1.6
257.24817	2.8
313.27359	78.6
457.57205	0.9
467.37357	64.4
468.37671	1.4
535.88458	1.0
611.46655	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	826.4942
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02928	7.0
65.03945	0.8
67.05502	13.4
68.05022	1.1
69.03432	7.4
69.07069	4.8
69.37585	1.6
69.38000	6.2
70.06600	6.0
71.04993	93.0
73.02921	3.9
79.05488	12.4
81.03432	3.4
81.07059	11.3
82.06584	1.6
83.04971	1.2
83.08634	3.2
84.04551	0.7
84.08131	4.3
85.02903	5.3
86.06061	5.3
86.09705	1.0
87.02930	0.8
88.03978	4.2
91.03983	2.0
91.05482	7.6
93.07045	9.6
94.06566	1.8
95.04969	1.8
95.08603	6.1
96.08134	9.5
97.02888	6.1
97.06547	0.9
97.10177	3.7
98.06075	3.2
101.02399	1.1
102.05546	1.0
105.07059	2.8
106.06573	1.0
107.04983	1.0
107.08598	7.5
109.10184	3.3
111.08099	2.3
112.07606	8.5
117.07011	1.2
119.08598	2.0
121.10155	2.7
124.07596	4.6
125.00017	1.1
125.09636	3.6
127.03871	1.1
127.47188	0.7
131.08620	1.6
133.10164	1.3
135.08075	2.6
135.11754	1.0
136.92323	0.7
140.07185	1.0
141.07811	0.8
142.08652	5.2
145.10144	1.0
147.11748	0.8
148.07607	1.1
149.09654	0.9
149.13226	0.9
153.09151	1.4
158.08128	8.3
170.08195	3.0
184.07339	4.2
189.11331	1.0
191.25917	0.8
217.28645	0.7
227.12907	3.4
276.16144	0.7
335.25806	5.1
337.21378	1.0
396.32303	0.8
445.41840	0.8
540.65240	1.1
541.89020	0.9
581.66370	0.9
646.43036	1.4
648.44177	0.9
656.27924	1.0
664.44244	2.9
770.08978	0.9
826.49512	100.0
827.50006	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.6
65.03929	2.6
67.05504	40.7
68.83570	0.7
69.03432	1.8
69.07063	15.7
71.04984	2.2
73.02886	0.8
77.03945	0.8
78.32043	0.6
79.05492	37.1
81.03408	2.5
81.07056	36.7
83.04974	2.4
83.08617	8.2
85.02888	2.9
85.06540	2.1
86.09707	2.8
91.03944	1.0
91.05479	36.4
93.07040	40.4
95.04993	6.0
95.08606	34.5
95.09509	1.1
97.02888	1.4
97.06518	2.7
97.10164	3.2
99.08087	1.2
103.05457	1.4
105.04511	0.8
105.07030	38.0
107.04970	1.1
107.07862	1.4
107.08594	23.9
109.06504	2.1
109.10155	14.5
111.04446	0.7
111.08086	2.5
115.05441	3.6
116.06252	0.8
116.52340	0.6
117.07019	18.6
119.08582	31.5
120.08846	0.7
121.06485	1.1
121.10141	15.8
123.08076	2.2
123.11689	4.1
125.00025	2.2
125.09657	2.6
128.06216	2.6
129.05511	1.0
129.07008	11.3
130.07774	1.5
131.08575	24.1
133.10121	22.6
135.08105	1.7
135.11685	10.7
141.06993	5.7
142.07770	3.4
143.08562	14.4
144.09358	0.9
145.10115	24.9
147.11673	13.4
149.09596	1.3
149.13268	5.2
151.11183	1.3
154.07727	1.2
155.08545	9.4
156.09323	1.3
157.10112	15.9
159.11703	14.8
161.09592	1.0
161.13284	7.9
163.11145	0.7
163.14771	1.8
165.07030	1.3
167.08588	3.2
169.10118	11.2
170.10707	0.8
171.11671	14.0
173.13264	9.3
175.11151	1.2
175.14848	3.5
177.16426	1.5
179.08580	1.7
181.10118	5.9
182.11014	0.8
183.11708	11.9
184.07335	11.2
184.12349	0.9
185.13235	11.1
187.14845	5.0
189.16411	2.4
193.10187	2.4
195.11674	7.2
197.13257	9.3
197.44223	0.8
199.14821	5.8
201.16412	3.2
203.18089	1.1
207.11746	2.5
209.13260	6.6
211.11314	0.9
211.14851	7.0
213.16452	3.5
215.17987	2.5
219.11774	1.2
221.13274	2.7
223.14771	4.6
225.16443	4.0
227.18048	2.1
229.19527	1.2
231.21204	0.8
235.14871	2.5
237.16483	3.5
239.17940	3.9
241.19666	1.9
243.92552	0.7
249.16388	1.0
251.17899	1.6
253.19501	1.0
255.17393	1.4
257.19095	3.6
259.20496	4.5
261.22174	1.1
265.19489	1.3
275.20221	1.7
283.20535	1.2
291.21008	0.9
295.20551	0.9
297.22083	1.1
307.20602	1.1
311.23843	1.8
313.21545	1.3
315.23364	1.1
323.23734	1.1
325.21680	1.0
327.23221	1.0
331.22958	1.0
333.24423	5.1
335.25809	2.7
337.21683	1.0
337.25323	1.2
349.25232	1.0
351.26913	2.9
353.24561	0.9
355.26520	0.9
363.27008	1.6
365.28668	1.2
377.28433	1.3
379.30002	1.3
381.27713	1.2
391.30270	1.2
407.29114	1.1
409.30945	1.4
421.30377	1.1
425.30350	0.8
435.31464	0.9
447.32327	2.2
449.33978	0.9
459.31558	1.0
461.34155	1.2
473.32877	1.1
483.34857	1.0
485.32764	1.2
487.34970	0.9
499.39673	1.6
501.35757	2.3
515.38135	1.4
517.40424	11.2
521.36389	1.5
525.35828	1.5
529.38660	1.0
535.41901	4.5
539.37518	2.7
540.37659	1.1
573.42773	1.1
591.44196	8.8
607.43304	1.4
609.45129	100.0
610.45392	3.9
621.44733	0.9
698.59833	1.0
699.46204	1.7
753.49231	1.1
771.37061	1.0
771.49493	3.9
824.50507	1.0
859.68951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.5
66.04750	0.3
67.05507	0.7
69.03440	0.6
69.07053	0.6
70.74585	0.3
71.05012	0.3
71.58971	0.4
73.02905	0.3
78.04723	1.2
79.05499	3.3
81.03423	1.3
81.07037	1.6
83.04971	0.4
84.99812	0.3
89.03896	0.4
91.05482	6.7
91.06016	0.6
93.07044	2.0
94.04188	1.9
95.04980	1.6
95.08040	0.3
102.04682	0.7
103.04786	0.6
103.05469	11.8
104.06220	0.4
105.03419	0.6
105.07034	9.7
107.04959	14.8
109.06523	1.1
111.08037	0.3
115.05454	9.0
117.07024	13.8
118.04153	1.6
119.04955	2.2
119.08588	1.3
121.06503	2.9
121.10133	0.4
122.03661	4.1
123.04445	2.8
124.05215	1.3
127.13108	0.3
128.06232	0.6
129.07056	1.9
130.04167	0.7
131.04933	24.5
132.05695	1.1
133.02838	0.9
133.06491	11.0
135.04417	3.5
136.05225	0.5
137.05981	100.0
138.06323	0.8
141.06996	0.9
143.04913	1.6
143.05992	0.7
143.08604	0.6
144.05702	1.1
145.06488	22.7
146.03618	0.7
146.07175	0.7
147.04440	1.4
147.08028	2.7
147.73248	0.3
148.05183	1.5
149.02367	0.3
149.05994	4.1
151.03906	0.6
151.07567	2.8
152.04684	1.4
153.05489	1.1
153.06943	1.5
154.07739	0.4
155.06039	1.3
155.07121	1.0
155.08557	6.4
156.05728	0.5
157.06491	1.5
157.10129	0.4
159.04391	0.5
159.08148	0.6
160.05164	1.5
161.05989	13.4
161.09602	0.3
162.06715	0.5
163.03920	13.5
163.07552	42.7
164.04694	0.5
164.08054	0.3
165.05470	1.3
165.06981	0.9
165.09122	1.2
166.06294	1.6
166.07573	0.3
167.07043	86.0
168.07359	0.9
169.06490	0.6
171.08080	1.1
172.05209	0.5
172.79395	0.3
173.05994	10.1
174.06732	1.3
175.03992	1.0
175.07553	9.0
175.09021	0.6
176.04697	2.0
177.05667	1.8
177.09116	25.7
178.06250	0.8
178.09413	0.5
179.07042	12.0
181.04999	0.5
181.06467	0.9
181.08620	5.3
183.08064	7.8
184.08806	0.6
187.07570	6.4
188.08337	0.4
189.09123	4.1
190.06297	1.0
191.07031	27.3
191.10666	3.7
192.07768	0.7
193.08612	97.8
194.08990	1.1
195.06538	17.0
197.08171	0.9
199.07567	1.3
200.08307	1.7
201.09143	1.2
203.07042	1.4
203.10672	1.1
205.08607	34.8
206.09000	0.4
207.06587	5.7
207.10156	12.8
209.08107	7.1
209.09868	0.3
211.07559	0.5
213.09192	2.5
214.09900	0.8
215.10678	24.1
217.08669	1.9
219.10150	1.4
220.40518	0.3
221.08025	0.3
223.09673	1.0
225.07494	2.6
229.12360	0.4
229.14449	0.5
231.08029	0.6
231.10187	8.9
232.10912	1.4
233.11736	9.0
235.09663	16.3
237.11302	0.6
245.11754	0.9
249.08937	0.6
249.11198	4.8
251.06931	0.4
251.12897	0.4
253.10687	5.5
259.11105	0.4
261.11188	1.1
262.05640	0.3
267.12271	2.1
275.10635	0.5
277.08578	0.4
277.12219	0.4
295.09619	0.5
303.10107	0.9
304.10876	0.4
307.13257	0.8
309.11389	0.6
309.14792	0.5
315.12247	1.2
324.13580	0.4
327.12250	1.2
335.12833	2.2
336.13553	0.4
337.14322	1.0
339.15939	0.8
341.13623	0.6
352.13007	0.3
353.13647	1.3
353.17459	3.1
367.15402	14.4
369.16992	15.7
371.14825	9.9
371.18701	1.8
385.16455	21.6
393.16727	0.6
403.17532	3.1
411.17792	0.6
530.36267	0.3
547.23083	1.2
565.23975	0.4
844.77197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	65.4
63.02428	1.5
65.03937	2.0
67.05507	29.1
69.03429	25.2
69.03773	3.1
69.07063	14.5
70.12062	7.5
71.01353	2.9
71.04995	4.1
72.08125	1.5
73.02917	21.7
73.28484	1.3
79.05498	11.6
81.03417	17.9
81.07061	33.1
83.04984	4.3
83.08611	8.1
85.02908	100.0
85.06508	1.6
87.04472	2.8
91.03958	48.5
91.05485	8.7
93.07048	15.8
95.04977	3.3
95.08603	24.9
97.02894	67.9
97.06546	3.4
97.10168	6.1
98.21526	1.6
99.04502	9.7
101.02390	4.3
103.03961	9.4
105.07032	9.0
107.04930	2.1
107.08585	6.1
109.02879	12.8
109.06541	2.5
109.10168	11.3
111.04436	3.3
115.03936	6.8
117.05511	2.4
117.06995	2.6
119.08562	5.5
121.10136	10.0
123.11706	3.6
127.03922	33.6
129.05476	6.3
131.08600	2.8
133.06587	2.3
133.10103	7.2
135.11722	4.3
137.06023	1.8
137.09691	2.0
137.13226	3.1
138.58836	1.7
145.04951	30.0
145.06258	1.9
145.06479	1.6
145.10155	2.4
147.11685	5.1
149.13261	3.1
149.81947	1.5
159.06573	4.5
161.13254	5.0
163.06035	22.2
163.14859	2.7
165.12912	1.6
169.10112	1.7
171.06532	2.8
175.14873	3.5
183.06558	12.3
184.07378	5.2
201.07620	9.6
219.08665	2.6
245.22659	6.7
261.22189	4.4
263.23715	14.1
329.24847	2.9
335.25787	2.6
337.27356	64.3
343.26169	2.3
347.25592	2.3
353.24438	2.7
365.26898	4.8
371.25833	6.2
379.28503	5.0
389.26971	2.9
391.28372	2.5
407.27872	2.6
421.29816	3.6
445.29617	8.7
463.30573	8.1
481.31650	19.1
499.32394	4.9
823.42456	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.2
62.38486	0.6
65.03926	0.6
67.05514	4.4
69.03419	2.4
69.07062	1.1
69.54738	3.7
71.04977	0.7
79.05489	2.4
80.05016	2.2
81.03420	3.4
81.07062	1.4
82.06586	1.6
83.04971	1.4
85.02911	3.6
86.19126	0.5
86.93672	0.5
91.05481	3.7
93.05803	1.0
93.07050	8.8
94.06573	10.4
95.04983	3.1
95.07355	9.7
95.08597	0.9
96.07556	1.2
96.08134	16.5
97.02878	2.3
97.06540	2.0
99.04507	0.8
101.79836	0.6
103.05482	1.5
105.05798	1.1
105.07040	1.7
106.06544	2.3
107.04971	1.1
107.07331	2.3
107.08646	0.7
108.07421	1.1
108.08125	15.7
108.80687	0.6
109.02892	3.1
109.08911	1.4
110.09687	30.7
111.04456	0.6
111.09971	0.7
118.06548	1.0
119.08604	0.8
120.04490	0.8
120.08112	23.9
121.06469	1.2
121.08872	1.8
122.06048	6.8
122.09669	6.2
123.06858	1.2
124.03983	1.0
124.07569	1.0
127.03910	4.0
131.07382	0.9
131.97682	0.6
132.08121	0.9
134.06041	2.2
134.09639	0.7
136.07584	9.3
137.06035	1.4
138.09148	100.0
139.03853	0.6
139.09492	1.2
140.10724	0.6
145.02914	0.6
146.05978	0.6
146.09666	1.7
147.04364	0.9
148.03889	1.2
148.07582	2.6
150.09138	5.0
152.07112	1.1
162.05498	0.8
162.09203	0.9
164.07094	2.1
166.08681	9.4
172.03911	0.6
172.07539	0.6
172.11172	0.8
174.09119	3.5
176.03419	0.7
177.05528	0.9
180.10236	1.5
181.04927	0.6
184.07405	0.8
185.10771	0.8
192.10226	0.9
197.10780	0.9
198.09135	0.5
199.08644	0.8
199.12349	0.8
201.10248	0.7
202.08482	0.8
204.06592	1.5
210.09251	0.8
211.08652	1.1
211.12309	1.0
212.11003	0.8
213.06645	0.7
213.10251	2.2
214.08662	1.2
214.10773	0.6
215.08322	0.7
215.11923	0.7
220.09737	1.2
221.10776	0.7
223.08594	1.0
224.10995	0.8
225.10245	6.7
226.10962	1.0
227.08189	2.9
227.11801	5.6
228.10117	0.8
229.06064	1.1
229.09702	0.8
229.13441	0.8
230.11815	1.5
236.49609	0.6
237.10185	4.2
238.10907	1.1
239.08180	4.2
239.11797	6.0
240.08899	1.0
240.12598	0.9
241.09772	8.6
241.13464	2.2
242.10362	3.3
242.14156	0.8
243.11334	1.9
246.11296	1.8
249.10310	2.2
250.11014	1.1
251.08115	3.3
251.11786	3.6
252.08972	2.4
252.12646	0.7
253.09743	12.7
253.13280	1.5
254.10475	2.4
255.08481	0.9
255.11325	11.0
256.12122	1.3
257.12842	1.2
263.11856	3.1
265.09756	6.9
265.13309	1.8
266.10559	1.4
266.14206	0.6
267.08115	0.9
267.11322	11.7
268.08972	0.7
268.12073	2.2
269.09537	2.7
269.12769	3.9
270.10117	1.4
271.10867	3.0
277.09714	0.8
278.10593	0.8
279.08136	1.0
279.11276	2.9
280.08698	1.2
281.09222	6.3
281.12823	2.4
282.10040	2.1
283.10846	5.5
284.11517	1.2
285.12390	5.5
291.11349	1.3
293.09238	1.6
293.12836	1.5
295.10770	7.0
296.11765	1.1
297.12305	7.9
298.09494	1.2
299.10251	3.3
299.14069	1.6
301.11942	1.4
302.12564	0.7
307.10831	1.4
309.12360	2.6
311.10294	3.6
311.13971	1.6
313.11844	14.6
314.12515	0.9
315.13254	3.6
317.30606	0.6
319.10651	1.2
321.08719	1.1
323.10291	3.3
325.11877	3.5
327.13336	2.2
330.12241	0.7
335.10397	0.7
337.11789	1.0
339.09784	1.6
339.13443	1.4
341.11276	3.1
341.15109	1.2
342.12039	0.6
343.13095	2.1
346.11749	0.7
346.15649	1.0
353.11340	1.5
355.12967	4.6
356.13651	1.1
357.14343	3.5
358.15652	0.7
360.17102	0.9
369.14536	1.2
370.15475	0.7
371.12436	1.9
373.13980	5.7
374.14996	2.0
375.15601	1.0
379.12787	0.7
383.11990	1.0
383.16455	0.7
385.14017	2.1
388.16431	1.3
390.17746	1.1
397.13971	1.0
406.17697	1.0
408.02652	0.7
411.15405	0.9
413.13004	0.9
415.14832	2.8
416.15973	2.0
427.14532	0.9
430.17261	0.8
434.17166	2.5
436.19052	1.0
439.15039	2.3
441.16446	1.9
445.16052	2.0
446.16757	1.2
451.14972	1.7
457.15848	2.9
459.17441	2.2
467.14395	1.8
469.16251	2.3
471.17575	1.2
475.17264	1.0
476.18066	1.3
478.19577	1.5
481.15887	1.3
485.15591	2.4
487.17233	3.8
490.19778	1.3
496.20834	1.6
499.17111	3.1
501.18637	1.7
503.16656	0.9
515.16614	1.6
517.18225	7.4
518.19031	1.2
519.19635	2.3
531.20117	0.7
535.19135	1.8
536.20099	1.4
538.22009	3.2
568.22168	0.7
572.20538	1.2
580.22461	0.9
582.24518	1.1
586.23462	0.9
590.21722	1.8
594.24164	0.7
598.23438	2.3
602.21051	1.0
604.23328	3.1
606.23132	1.9
608.22327	3.2
610.24280	0.7
615.27673	0.7
616.22662	0.9
618.24255	0.7
620.22870	2.9
622.24042	7.7
624.24615	1.0
626.23077	1.2
629.25031	0.8
634.23688	1.8
636.25226	1.2
638.23645	5.9
640.25043	25.9
641.25934	1.0
643.27411	1.2
646.23492	0.7
648.25208	2.0
650.22632	1.1
651.23962	0.7
652.25092	3.1
656.24890	2.3
658.26129	6.1
661.29272	0.8
664.24841	0.9
665.26038	1.1
666.26239	2.2
670.25995	1.2
682.26495	1.2
683.27075	1.6
684.27972	3.4
685.28857	0.8
691.27637	1.1
701.27454	0.9
702.28589	1.3
703.29517	0.9
709.29523	1.2
723.30811	3.9
727.29346	1.9
737.27740	1.7
741.31604	5.6
745.30499	1.9
751.30756	0.9
755.28778	2.8
759.32556	7.8
769.31415	3.1
773.30396	3.1
777.33539	9.0
787.31665	3.7
795.34692	3.1
805.32990	9.9
823.35535	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	823.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84362	2.2
64.30063	2.1
67.05498	10.0
69.03427	10.3
69.07064	3.3
70.06593	4.2
73.02941	2.6
79.05494	4.9
80.04996	4.2
81.03429	16.7
81.05798	2.4
81.07042	8.2
82.06574	2.4
83.04995	2.6
85.02908	13.6
86.09706	3.6
91.05466	10.7
93.07054	14.6
94.06570	24.2
95.04959	8.1
95.07345	10.4
95.08611	3.8
96.08138	29.5
97.02895	10.1
97.06540	4.5
105.07059	3.8
106.06557	6.9
107.07338	3.6
107.08615	3.5
108.04475	6.3
108.08149	39.2
109.02892	14.0
109.08886	3.1
109.10111	2.4
110.08995	3.9
110.09701	38.0
111.04465	2.5
114.21060	2.6
119.04903	2.8
119.08589	6.0
120.04455	6.6
120.07269	2.8
120.08125	56.1
121.06454	2.9
121.08892	3.7
122.06048	26.0
122.09663	15.0
124.07584	7.1
125.09684	2.4
127.03928	15.5
132.08092	3.5
133.10088	2.3
134.06020	28.6
134.09648	3.6
136.07579	32.6
137.05917	5.1
138.05542	3.2
138.09152	100.0
140.10658	2.6
142.48311	2.6
144.04498	4.8
144.08113	2.5
145.02855	5.2
146.06023	9.2
146.09673	7.2
147.04417	7.3
148.07567	12.6
150.09198	11.7
151.03970	2.5
152.07060	6.7
160.03944	8.0
160.07584	4.7
162.05536	7.4
163.03871	2.3
164.07086	22.1
166.04996	4.4
166.08655	55.3
168.88292	2.4
172.03943	19.2
172.07635	4.1
174.05521	6.5
174.09164	13.0
177.05470	10.5
178.05042	4.8
180.10257	3.3
184.07500	2.9
190.05031	15.6
192.10217	4.9
197.10776	2.5
198.09222	2.9
198.11469	3.3
199.08656	2.5
202.08644	4.4
204.06566	26.2
209.10519	3.3
211.08556	4.9
211.12224	4.4
213.10226	7.6
216.10254	2.7
220.09634	3.5
223.08632	6.7
223.12247	4.1
224.09387	3.3
225.10226	30.5
225.13715	2.6
226.11057	6.5
227.11742	25.9
229.09741	3.7
229.13416	3.0
230.11847	5.0
235.08672	4.5
236.09445	5.1
237.10271	21.3
238.11017	7.2
239.08243	7.7
239.11823	32.3
240.12598	6.1
240.90663	2.6
241.09776	10.3
241.13411	4.9
243.11319	5.2
246.11369	5.1
249.10289	10.8
250.07318	2.8
250.11172	11.6
251.08154	10.1
251.11833	37.7
252.09021	5.8
252.12611	5.9
253.09779	27.3
253.13402	17.3
254.10522	7.4
255.11397	14.5
263.08078	3.7
263.11832	25.1
264.09009	6.5
264.12546	7.2
265.09824	23.7
265.13309	23.2
266.10504	8.9
267.11386	32.3
267.14258	4.0
267.15311	3.4
268.12015	4.1
269.09314	4.9
269.12875	10.6
271.10812	9.1
273.12479	5.4
277.09775	8.5
278.10522	7.1
279.11301	26.7
280.11960	5.0
281.09253	9.2
281.12863	24.7
282.13733	2.6
283.10788	13.7
283.13696	2.7
284.11636	4.2
285.12271	15.8
286.13129	2.5
287.14243	2.8
291.11441	10.8
291.14383	2.9
293.09219	11.6
293.12836	13.1
294.10034	5.7
295.10864	12.7
295.14215	5.4
296.11597	5.0
297.12332	22.9
298.13147	2.6
299.10315	6.0
299.13983	12.5
301.12180	2.9
307.10760	8.0
309.09109	4.6
309.12344	33.7
311.10501	4.9
311.13901	23.2
313.11862	18.2
313.15259	3.7
315.13531	5.6
319.10800	5.9
321.12357	8.8
323.10168	9.6
323.13773	3.9
325.11841	18.1
327.13416	29.2
329.15186	2.8
335.10208	5.0
337.11636	13.8
338.12662	3.2
339.13364	11.2
341.11328	6.6
341.15030	10.1
343.13217	3.0
353.11246	4.3
353.15158	8.2
355.13025	9.7
357.14502	12.4
358.15515	4.7
367.13089	4.9
369.14511	24.1
370.15491	5.3
371.16110	18.1
372.17007	5.4
373.13937	7.8
381.14639	6.0
383.12192	2.7
388.16629	3.2
390.17941	2.4
397.13892	4.7
398.14883	8.3
399.15692	9.6
411.15543	8.4
413.17062	8.7
414.18265	3.2
418.17493	4.2
429.16879	4.0
431.18301	3.9
435.15356	3.0
439.14502	2.9
440.16031	3.1
441.17014	5.3
444.19711	3.3
445.16669	2.6
448.18393	7.6
451.15231	4.4
453.16882	12.4
457.15952	4.1
459.17441	3.5
460.18506	14.3
465.17001	3.5
467.14236	3.0
469.15933	6.5
471.17416	11.4
472.18423	4.2
473.19492	3.3
474.20325	4.4
478.19839	3.0
480.21246	8.8
481.15976	5.8
483.17426	3.9
485.15472	7.5
487.17313	5.4
490.19980	18.6
492.21375	32.9
497.15131	3.5
499.17120	7.5
500.18121	2.9
504.21469	4.9
506.19409	4.0
513.18756	5.2
515.20319	4.0
517.18140	9.9
519.19122	2.9
520.21075	4.6
522.22229	5.1
531.19360	4.7
533.20978	3.4
534.22528	5.9
538.21484	6.7
550.21393	2.8
556.20770	4.9
566.19598	3.1
572.21533	2.9
574.21747	4.1
576.23230	4.8
580.22607	4.5
586.21576	8.5
588.22943	8.0
590.21326	5.3
592.22668	3.9
593.23303	3.3
594.24249	6.5
598.22089	6.3
600.23535	3.6
602.21008	6.5
604.22711	7.1
606.24475	12.5
608.22736	7.8
610.23651	3.6
611.24829	21.2
614.21118	8.9
616.22589	11.1
618.24432	12.9
620.21991	12.0
622.23779	10.3
624.25568	12.6
625.25848	4.8
632.22003	10.3
634.24103	13.8
636.25696	18.3
638.23041	4.0
640.25079	13.5
643.27399	8.9
646.23279	4.8
650.23602	27.7
652.25214	25.0
653.25659	3.8
654.26093	7.9
656.25116	3.9
658.25812	5.7
664.24542	6.8
665.26550	3.0
666.26251	4.9
682.26202	16.1
683.26495	7.0
684.27594	11.9
685.28369	3.1
691.27460	4.1
701.27094	4.3
702.27460	3.0
709.28717	4.9
719.27209	7.6
723.30695	12.4
727.29108	6.1
729.30927	4.2
737.28333	15.4
741.31549	13.7
745.30145	4.1
751.29407	8.5
755.29376	24.4
759.32397	13.7
769.30109	7.2
773.30011	23.1
777.32959	10.3
787.31934	14.1
805.32990	11.3
823.36914	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	2.0
57.03440	23.0
57.95435	1.0
59.04998	1.6
60.08156	1.3
61.02917	1.9
65.03947	3.1
67.05506	64.1
69.03432	7.3
69.06730	2.1
69.07072	29.4
71.04987	4.1
71.18841	1.4
71.19154	1.8
79.05495	46.4
81.03410	5.0
81.07058	64.9
83.04972	5.1
83.08630	11.2
85.02898	1.4
85.06532	3.8
86.09706	3.7
91.04897	1.3
91.05479	32.3
93.07045	49.8
95.04968	10.6
95.08607	47.3
95.09064	0.8
95.09232	1.3
97.02875	4.4
97.06550	6.4
97.10174	9.8
105.07035	24.8
107.04942	4.2
107.08596	27.8
109.02858	1.7
109.06505	13.1
109.10155	23.2
111.08074	2.7
113.06023	1.4
115.05454	1.6
117.07011	9.7
119.04904	1.6
119.08582	21.8
121.06489	4.8
121.10152	17.0
123.08042	5.0
123.11702	4.1
124.99998	3.4
125.09641	5.6
127.07574	11.5
128.06206	1.3
129.07010	3.8
131.08586	15.7
133.06503	4.8
133.10143	16.5
135.08038	7.6
135.11679	9.7
137.09613	2.5
143.08543	3.7
145.10135	12.6
147.08052	5.0
147.11720	7.8
149.09590	3.6
149.13245	4.2
151.11212	3.3
157.10118	3.4
159.11687	5.0
161.09650	4.2
161.13280	3.8
163.11163	2.3
163.14857	2.5
165.12805	1.6
171.11673	3.8
173.13258	4.0
175.11168	2.3
183.11682	1.7
184.07338	15.1
187.14806	1.6
189.11169	1.7
189.12779	2.2
189.16405	1.4
199.14807	1.5
217.15817	2.5
223.13329	9.5
227.12764	2.1
235.16956	3.8
239.74182	1.2
243.21188	2.6
245.19093	1.5
249.14832	3.1
253.14413	3.4
261.22144	8.0
263.19891	2.5
273.18509	22.3
291.19550	79.5
292.19897	1.1
317.24750	1.9
335.25806	100.0
347.22061	3.6
349.23813	1.4
365.23239	53.1
447.54111	1.3
529.39099	1.9
531.36432	2.2
545.38190	3.5
594.11432	1.3
607.43304	4.9
625.44629	79.8
626.45001	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	19.4
67.05507	100.0
67.75220	9.7
69.03432	10.2
69.07063	28.0
69.90289	53.3
70.34564	9.9
71.04981	10.6
74.18420	8.5
79.05506	59.2
81.07068	97.6
83.04967	22.9
83.08612	12.3
83.18491	8.9
86.09705	28.4
91.05473	82.0
93.07038	81.4
94.74810	8.7
95.04968	26.8
95.08617	81.8
102.96882	10.4
105.07040	69.1
107.04934	18.1
107.08598	40.9
109.06551	10.8
109.10145	50.6
111.90772	9.4
113.05905	8.9
117.06999	21.4
119.08601	23.3
121.10162	21.7
123.08057	14.6
124.99998	9.6
131.08595	25.0
133.10120	43.2
135.11699	16.4
145.10118	18.3
151.11174	15.6
159.11748	9.6
184.07365	99.2
253.14406	52.5
273.18466	38.8
291.19568	32.6
307.39868	11.2
335.25702	62.6
347.22229	15.1
365.23172	51.7
435.13464	9.9
448.24954	8.8
597.97076	13.8
607.43909	12.8
625.44647	95.4
655.95978	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	810.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06632	0.4
60.08163	5.6
67.05508	0.4
69.07073	0.1
69.45908	0.2
69.46309	0.6
70.06585	0.2
71.04993	0.1
71.07372	3.0
79.05492	0.1
81.07054	0.2
86.09705	28.4
87.10042	0.3
91.05486	0.3
93.07022	0.2
95.08607	0.1
98.98463	2.6
104.10743	2.1
105.07043	0.2
109.10164	0.2
119.08582	0.1
125.00003	19.3
127.11190	0.1
133.10078	0.1
142.08673	0.1
143.01073	0.4
156.41197	0.1
166.02681	0.3
184.07339	100.0
185.07686	0.8
240.09224	0.1
321.70444	0.1
335.25772	0.1
386.05688	0.1
516.30780	0.4
774.50616	7.9
775.50616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.5
60.08164	5.6
67.05507	0.3
68.30592	0.2
69.07063	0.3
71.07370	2.9
71.58402	0.4
81.07024	0.4
83.69492	0.2
86.09705	30.1
87.10017	0.3
98.98469	2.7
104.10754	2.7
125.00008	19.6
184.07341	100.0
185.07701	0.7
374.54459	0.2
410.13571	0.2
441.26825	0.2
708.37366	0.3
718.81342	0.3
776.52185	7.7
777.52283	0.6
812.51361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03192	1.3
57.03439	23.1
57.07065	1.6
59.04994	2.6
61.02919	3.2
65.03931	4.4
66.58741	1.1
66.92437	1.3
67.05507	67.6
67.57999	1.1
69.03430	15.2
69.07069	44.9
69.34982	3.8
69.35395	8.8
71.01360	2.5
71.04646	1.8
71.05000	21.7
73.02913	4.4
79.05497	64.9
80.05824	1.4
81.03420	100.0
81.07059	70.3
83.04980	15.1
83.08623	29.0
83.25472	1.1
84.04505	1.4
85.02912	12.3
85.06525	5.1
86.09676	1.9
87.04456	1.9
91.03968	1.4
91.05483	62.0
93.07045	50.9
95.04972	44.7
95.08047	2.4
95.08610	30.1
95.82619	1.3
97.02892	11.7
97.06535	69.8
97.10175	17.4
98.20560	1.3
99.04444	4.6
99.08083	5.3
103.05460	2.3
105.03295	1.4
105.07030	41.7
107.04958	21.2
107.08595	37.5
109.02885	3.6
109.06519	23.9
109.10161	21.6
110.06781	1.4
111.04440	6.9
111.08080	14.1
113.06023	2.8
115.05448	3.9
115.07582	21.3
116.76717	1.4
117.07011	18.1
119.04941	4.4
119.08589	37.0
120.08105	1.3
121.06504	13.3
121.10152	22.2
123.04446	3.1
123.08081	14.3
123.11690	5.5
125.09633	15.8
127.03952	7.6
128.06207	3.5
129.07013	23.0
131.04924	4.0
131.08574	33.6
133.06505	11.1
133.09116	1.6
133.10133	27.3
135.04387	1.2
135.08051	15.6
135.11708	12.4
137.05995	12.1
137.09660	7.5
138.09111	1.6
139.07536	2.0
141.06973	3.7
142.07777	4.3
143.08556	11.2
145.02809	1.9
145.06485	7.1
145.10126	18.6
147.04376	2.6
147.08058	13.9
147.11697	17.5
149.06000	1.9
149.09634	13.0
149.13217	6.5
151.11198	6.1
151.99052	1.2
153.09084	3.7
153.12756	2.1
155.08568	6.2
157.06516	2.7
157.10138	21.8
159.08058	9.8
159.11685	10.7
161.05966	1.9
161.09666	9.0
161.13307	2.1
163.07524	4.6
163.11191	11.2
164.06989	1.2
165.09137	3.0
165.12714	3.3
166.08672	2.3
167.07152	2.9
167.08542	2.8
167.10538	1.5
169.10141	5.4
171.08064	3.8
171.10426	1.2
171.11604	5.9
173.04459	3.3
173.09607	5.4
173.11838	1.4
173.13242	4.4
175.07581	1.4
175.11180	13.6
175.14809	1.5
177.05576	3.1
177.09100	1.7
177.12764	3.2
179.07025	2.2
179.10666	3.2
181.05093	1.4
181.10194	2.2
181.12192	3.0
183.08047	1.4
183.11711	5.1
184.07353	3.2
185.09641	3.5
185.13239	5.5
187.07491	1.7
187.11134	6.7
189.09486	1.3
189.11206	7.3
189.12727	2.6
191.10594	2.2
193.10365	2.3
193.12239	24.5
195.08012	1.4
195.11742	2.5
195.13808	3.4
197.09651	1.8
197.13268	2.8
199.11237	1.4
199.14825	3.1
201.12759	1.6
203.14378	1.9
205.12184	1.8
207.11879	2.2
207.13864	1.9
209.13319	1.8
211.13226	4.4
213.12756	1.8
217.15862	6.4
219.13850	4.8
223.13182	2.4
225.14804	2.5
227.12717	11.0
227.17940	3.0
229.14360	3.3
233.15413	4.8
245.18936	3.6
249.14890	3.2
253.14333	4.9
255.17661	2.6
267.15921	75.4
269.17462	15.8
271.16873	3.3
273.15295	2.7
273.18494	27.1
275.20099	2.2
279.15860	1.5
283.15402	1.6
285.15042	1.6
289.14499	1.2
289.18060	4.5
291.19534	23.1
291.22534	2.4
297.17087	3.1
307.18945	1.7
309.17123	1.3
309.20569	3.8
311.20145	2.1
313.21500	3.3
317.15900	2.0
329.21017	3.1
339.15927	1.9
347.22278	6.1
351.23203	3.6
363.21432	3.6
365.23294	14.7
369.24197	2.9
381.23203	1.8
383.24316	7.8
387.25061	2.1
407.24841	1.6
419.29446	1.5
421.25989	2.9
425.26596	2.0
429.27539	1.9
435.27368	4.6
443.28104	8.2
447.28253	9.9
461.29034	39.3
465.30032	5.8
471.27231	2.9
473.29086	1.9
479.29877	1.7
483.31015	6.6
485.28778	2.4
487.30438	7.0
489.28534	3.1
493.31714	11.8
499.30460	5.6
503.31058	1.9
511.32437	3.5
515.29846	1.7
517.31732	3.4
521.32513	3.7
529.35065	3.1
539.33752	23.6
557.34753	66.7
558.35181	2.5
575.35730	37.4
576.35846	2.0
589.37299	2.9
599.35657	2.2
607.34564	4.0
642.35901	2.2
660.37292	3.5
719.38617	1.7
822.46521	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	75.0
69.07056	26.5
71.57470	18.5
71.57850	16.6
73.89703	17.7
73.91840	13.3
79.05486	70.0
81.07064	83.2
86.09709	31.2
91.05486	72.6
93.07063	91.5
95.04961	13.6
95.08604	100.0
102.85688	14.8
105.07008	80.5
107.08589	54.1
109.10152	30.1
114.35267	14.3
117.06991	25.6
119.08603	75.3
121.10145	50.9
124.04803	18.5
125.00035	16.0
129.07002	26.0
131.08577	40.7
133.10136	48.8
135.11690	21.0
144.53244	17.9
145.10109	46.0
147.11681	46.7
159.11633	24.7
161.13293	18.9
173.13351	20.2
184.07343	55.5
185.13387	20.6
241.19583	30.4
259.20593	65.0
333.24243	52.4
335.25864	76.9
384.93552	16.5
409.73361	14.4
611.46246	43.4
796.68158	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	807.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39940	1.2
57.03413	1.4
65.03959	2.5
67.05514	5.7
69.03413	5.8
71.13627	2.3
71.13971	1.8
72.40642	1.1
76.07169	1.1
79.05488	5.2
80.05000	2.2
81.03416	6.1
81.05799	2.4
81.07079	1.6
82.06575	3.2
85.02891	5.9
91.05470	6.4
93.05780	2.0
93.07037	13.4
94.06568	21.7
95.04966	4.0
95.07344	14.8
95.08607	2.5
96.08125	36.1
97.02907	3.7
97.06518	3.9
99.04473	1.5
103.05506	2.5
106.06574	2.8
107.07301	1.5
108.04487	6.8
108.08118	40.5
109.02867	3.5
109.08920	3.4
110.09678	54.5
111.04456	1.2
118.06516	2.0
120.04472	5.1
120.08107	39.3
121.06515	2.2
122.06017	14.8
122.09683	4.2
123.06757	1.9
124.07607	9.6
127.03929	4.8
132.08101	1.8
134.06035	5.7
134.09630	1.4
136.07585	24.0
137.05998	2.0
138.09137	74.3
144.04437	3.0
145.02859	1.2
146.06009	4.6
146.09639	1.3
147.04407	1.8
148.07562	17.0
150.05484	1.1
150.09169	9.3
152.07077	8.8
154.08766	1.3
160.03957	9.6
160.07582	4.3
162.05557	3.4
163.07600	1.1
164.07080	4.8
166.08636	85.0
172.03935	14.5
174.05467	3.2
174.09192	4.2
177.05467	2.0
177.26851	1.2
178.04976	2.9
178.08714	1.2
181.04962	1.8
182.09644	1.2
182.15414	1.2
184.07527	1.5
187.89729	1.2
190.04973	7.6
192.06540	2.0
193.07555	1.2
197.10759	3.0
198.09262	1.5
198.11372	2.3
199.05997	1.3
199.08678	3.3
199.12311	1.3
200.07112	2.4
204.06552	22.3
205.06976	1.4
208.09714	2.6
209.10710	3.0
210.11487	1.7
210.14890	1.5
211.06862	1.1
211.08556	6.2
211.12306	7.0
212.09372	3.4
212.13208	2.3
213.06439	1.4
213.10205	11.7
220.09879	1.2
221.10814	2.2
222.11490	2.7
223.08691	11.0
223.12149	6.4
224.09431	4.5
224.13069	2.0
225.10210	52.7
225.13843	3.3
226.10941	16.4
227.08272	1.8
227.11765	20.7
228.12451	1.3
229.13391	3.3
234.11478	1.8
235.08687	4.6
235.12267	2.4
236.09346	2.4
237.06604	2.0
237.10208	31.0
237.13908	5.0
238.10912	19.5
239.08240	9.0
239.11786	63.5
240.10233	2.0
240.12477	13.4
241.09802	1.4
241.13373	6.2
244.09685	2.6
246.11386	1.8
249.10228	12.9
249.12859	1.2
249.13780	1.5
250.07393	1.4
250.10976	11.9
251.08153	11.8
251.11809	51.6
252.08849	2.7
252.12546	10.6
253.09723	38.1
253.13373	36.0
253.15961	1.5
254.10422	7.9
254.14108	2.6
255.11238	4.3
255.14949	1.7
257.09189	1.7
261.10150	1.7
262.11084	2.3
263.11780	21.3
264.08920	5.1
264.12332	6.0
265.09747	62.3
265.13348	35.3
266.10501	16.9
266.14096	8.0
267.11301	31.1
267.14951	4.8
268.11926	4.2
269.09219	1.9
269.12842	5.7
271.10770	9.8
271.14261	1.5
273.12405	3.6
274.10745	1.8
275.11823	3.7
276.12534	1.5
277.09738	8.0
277.13330	5.3
278.10431	9.4
279.11270	36.5
279.14365	2.1
280.12131	6.1
281.09760	1.4
281.12839	42.7
282.13544	3.5
283.10794	20.7
283.14392	5.5
284.11469	6.1
285.12326	100.0
286.13074	9.9
287.13943	3.9
290.13925	1.5
291.11337	12.4
292.11978	5.8
293.09467	1.6
293.12820	22.1
294.13467	3.2
295.10733	5.1
295.14371	6.5
295.67868	1.3
296.11533	3.0
297.12350	28.0
298.13086	16.2
299.13904	34.8
300.14288	2.4
301.15802	1.8
303.11374	1.6
305.09247	2.9
305.12796	2.3
307.10831	8.6
307.13950	1.9
308.11435	1.2
309.12302	26.0
310.12933	7.6
311.10477	1.4
311.13840	28.1
312.14615	4.1
313.15564	10.5
314.12949	1.8
314.16364	1.8
316.14478	1.4
317.12613	1.7
319.10706	5.9
320.11456	2.0
321.12326	13.8
323.10358	2.4
323.13800	3.8
325.11844	12.5
325.15369	2.7
326.12357	1.9
327.13376	24.3
328.13907	3.9
330.16223	2.0
333.12259	1.8
335.13971	2.0
337.11716	7.4
338.12683	2.3
339.13394	12.5
340.14380	1.7
341.11166	1.6
341.14981	21.2
342.15771	1.5
343.13156	1.6
344.14011	2.2
344.17825	1.9
351.13449	5.0
353.15027	12.0
355.12863	2.8
355.16821	1.7
356.13651	2.0
357.14511	9.9
358.15402	3.5
359.16071	9.1
360.16998	2.2
362.18768	1.5
364.13651	1.7
369.14465	14.9
370.15237	3.4
371.16296	7.4
372.17047	2.7
374.18777	1.8
378.18341	1.8
379.12930	1.3
380.13644	1.7
381.14297	5.9
383.16315	5.8
384.17081	1.8
385.17886	1.5
386.18796	2.3
388.16324	1.6
389.15002	1.7
390.18369	1.7
391.19168	1.7
392.19675	2.6
393.14755	2.7
395.16055	3.2
397.17624	1.7
399.15442	2.5
400.16476	3.1
401.17093	2.8
402.17984	3.0
404.19675	3.6
405.14542	1.6
407.15994	4.8
409.17822	2.8
411.15573	9.5
412.16309	2.3
413.16992	6.8
414.18109	2.2
416.19739	3.6
418.17188	5.8
419.17538	1.3
423.15619	4.0
425.17197	8.2
426.17532	1.9
427.19196	1.8
429.16614	9.3
430.17560	4.6
431.18164	2.1
432.19156	5.0
433.19662	2.9
435.15524	9.1
436.18484	2.4
437.17081	3.6
440.15607	1.5
441.16489	7.5
442.17270	2.1
443.18030	10.9
444.19296	1.8
446.20581	4.0
448.18127	2.0
450.20062	4.3
451.15121	2.6
451.21021	4.5
453.16599	21.6
454.17303	2.2
455.18030	3.4
459.17404	2.1
460.18658	2.8
461.18735	1.5
462.20422	3.4
464.21625	3.7
465.16550	4.7
467.18542	1.6
469.16150	9.3
470.16864	2.7
471.17676	22.1
472.17667	1.9
473.19244	5.8
474.20251	10.7
480.21051	4.3
481.16025	4.2
482.16708	2.4
483.17651	10.1
484.18362	11.9
485.19254	14.8
486.19608	2.0
487.16815	1.6
490.19788	3.8
492.21396	9.9
501.18637	5.1
502.19318	2.5
503.20209	12.0
504.20847	1.9
505.22324	2.1
506.22845	8.5
513.18707	2.7
515.20111	6.0
519.20178	1.8
521.21173	1.9
522.22430	9.3
523.23199	6.8
524.23724	4.4
530.23016	3.1
531.19702	3.2
532.21246	1.9
533.21252	5.0
534.22253	10.2
536.23663	1.7
542.23462	1.6
548.23730	2.0
556.20874	4.2
558.22247	1.6
562.21674	2.7
564.22656	1.8
565.24011	4.0
566.25018	3.4
572.24152	2.1
573.24341	2.5
574.21405	8.4
578.24542	2.2
586.21899	5.4
588.23602	9.2
590.24500	2.7
591.25555	5.2
592.22473	9.7
594.24359	15.3
595.25433	5.8
599.22650	3.9
600.23456	16.4
603.25879	1.5
604.22736	7.6
606.24524	29.5
607.24921	2.6
608.25745	4.6
609.26715	3.2
610.24768	1.5
613.26788	6.2
616.22089	2.9
617.23950	8.4
618.24347	25.4
619.24390	2.8
621.25629	1.5
622.23645	2.8
624.25476	28.5
625.26392	1.8
627.27649	2.7
631.25531	13.8
632.26099	9.7
634.23608	10.8
635.24805	32.9
636.25482	59.1
637.25647	3.9
645.28632	2.2
648.25159	2.1
649.26276	17.1
650.26978	10.2
652.24744	5.3
653.25464	8.2
654.26782	9.7
655.27441	2.6
664.24194	2.1
666.26270	5.2
667.27374	85.7
668.28119	39.2
669.28052	2.7
684.27734	2.9
685.28412	32.6
686.28577	4.3
687.28992	2.6
693.28790	2.0
695.30054	2.6
703.27179	2.0
707.30249	3.7
711.30365	1.9
713.31439	1.5
721.28552	10.3
725.31763	11.4
735.31128	1.5
739.29614	11.4
743.32532	3.4
753.31451	11.4
757.30756	20.5
771.32123	6.2
775.31665	3.3
789.33063	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	807.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75023	3.1
65.03905	3.1
67.05495	11.4
69.03431	6.4
69.04767	3.3
79.05485	5.1
79.45397	2.8
80.05005	5.7
81.03419	9.4
82.06573	5.0
85.02906	5.4
91.05469	8.4
93.07034	13.9
94.06562	28.5
95.04948	5.5
95.07352	18.8
96.08124	37.8
97.02918	2.5
98.20689	5.5
98.90762	2.7
108.04484	10.1
108.08112	44.7
109.02869	10.5
109.08878	2.8
110.09683	66.2
111.07027	2.7
118.06551	3.6
120.04517	3.4
120.08105	45.7
122.06000	24.2
122.09674	5.7
127.03905	3.6
132.04454	3.3
134.05945	4.4
136.07573	23.5
138.09137	79.0
145.02902	2.8
146.05977	4.6
146.09674	3.2
148.07556	26.3
150.09137	7.5
152.07018	6.1
160.03947	23.7
160.07509	3.6
164.07047	4.7
166.08632	77.8
172.03969	5.0
174.05524	3.6
174.09158	4.9
178.04990	2.8
180.10272	3.7
190.04991	3.2
192.06596	5.6
199.08586	5.0
204.06604	7.8
210.11438	4.8
211.08659	10.5
211.12236	12.6
212.09462	4.7
213.10173	13.0
216.10205	3.4
223.08643	9.0
223.12369	4.0
224.09232	4.8
225.10223	43.7
225.13818	6.7
226.10954	21.2
227.11795	16.0
229.13321	3.0
235.08653	6.8
236.09410	4.4
237.10280	23.0
237.13875	7.8
238.10970	21.5
239.08194	19.9
239.11789	72.1
240.12512	12.1
241.13318	5.6
249.10214	17.9
250.10956	16.3
251.08255	9.3
251.11766	60.1
252.08910	5.4
252.12445	17.6
253.09720	40.3
253.13364	59.5
254.10420	24.2
254.14200	5.8
255.11148	4.0
263.11798	39.8
264.09052	5.5
264.12485	12.6
265.09723	21.2
265.13354	61.8
266.10541	16.0
266.13925	8.6
267.11276	41.8
267.14575	5.8
268.11948	9.0
269.12784	3.7
271.10773	6.3
277.09738	5.7
277.13391	5.1
278.10516	8.7
279.11319	40.6
280.12061	7.4
281.12878	82.7
282.13409	6.2
283.10779	17.1
283.14340	10.0
284.11627	5.2
285.12347	32.7
286.12921	7.9
291.11325	9.4
292.11853	5.6
293.12793	34.7
294.13266	3.5
295.10931	7.0
295.14444	8.1
296.11523	8.1
297.12430	16.1
298.13062	9.2
299.13913	24.5
304.41028	2.9
305.12918	3.3
307.10764	8.7
309.12332	76.8
310.12997	6.1
311.13855	42.8
312.14499	5.0
313.15405	8.1
315.14215	3.4
319.10629	6.8
321.12344	16.2
323.13876	6.4
325.11984	6.6
325.15463	4.1
327.13354	52.3
337.11807	7.4
338.12494	6.4
339.13440	16.5
341.14978	69.5
351.13531	8.4
352.14136	3.0
353.14993	23.2
357.14377	9.7
358.15402	3.5
359.15857	8.4
360.17050	4.0
367.12531	4.0
369.14484	54.4
370.14984	4.5
371.16138	22.1
372.17078	3.4
379.12775	3.3
381.14429	4.1
383.16003	8.2
384.17075	3.9
389.15167	2.9
399.15240	4.1
401.17325	7.5
409.17737	3.4
411.15540	24.2
413.17108	22.2
414.17947	6.3
416.19434	7.9
417.14371	3.8
423.15466	4.5
425.17114	12.8
429.16449	16.9
430.17215	8.3
435.15561	22.3
437.16995	5.9
440.15637	3.7
441.16458	6.4
442.17633	3.9
443.18094	20.4
444.19092	4.2
447.15411	3.5
453.16589	51.0
454.16882	5.6
455.18002	7.3
460.18320	6.6
462.20331	7.6
465.16629	7.5
467.17993	11.3
471.17728	45.5
472.17673	5.4
473.19302	18.7
474.20224	15.4
479.17960	4.4
480.21198	9.3
481.15671	7.1
483.17419	5.7
485.19193	11.2
492.21490	24.6
497.18994	6.9
499.17279	5.7
501.18149	4.5
502.19385	5.5
503.20145	7.8
506.22360	5.1
513.18250	15.1
515.20056	24.5
522.22369	29.2
530.22729	3.2
531.19562	13.3
533.21088	14.5
534.22461	26.9
556.20935	14.2
558.22595	6.1
562.21252	6.5
568.20697	7.6
574.21576	15.4
586.21967	18.4
588.23309	40.3
589.23499	4.5
592.22998	16.9
594.24396	58.1
595.24445	7.6
600.23328	37.2
603.25653	5.8
604.22400	15.7
606.24506	56.6
607.24805	3.6
618.24390	43.2
622.23425	7.0
624.25433	100.0
625.25482	10.3
627.27576	3.5
632.25549	9.3
636.25537	92.9
637.25244	9.2
638.73743	3.2
654.26367	25.0
664.24652	8.0
667.27057	5.5
675.28381	3.6
693.28839	9.0
703.27826	4.6
707.30621	19.7
721.28833	16.9
725.31549	51.0
726.31335	4.2
739.29358	7.0
743.33179	13.1
753.31647	26.7
757.30426	8.3
771.31915	10.9
789.33429	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	807.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32646	1.7
57.03410	2.4
61.44342	1.6
64.09436	1.8
65.03946	1.7
67.05524	10.1
69.03422	3.5
69.07063	2.4
69.78405	10.3
79.05482	8.7
79.69481	2.0
80.05012	4.0
81.03421	5.9
81.05789	2.8
81.07030	2.8
82.06582	3.4
85.02912	4.6
85.19526	1.9
91.05474	8.0
93.07041	17.5
94.06567	23.4
95.04949	5.7
95.07359	17.2
95.08571	2.1
96.08129	31.6
97.02870	4.7
97.06520	3.7
103.05499	4.1
105.92130	1.9
106.06554	2.1
108.04484	8.3
108.08111	45.7
109.02868	5.5
109.08937	2.6
110.09678	61.4
120.04412	2.3
120.08105	39.3
121.08435	2.3
122.06033	25.0
122.09652	4.0
123.06831	2.4
124.07621	2.4
127.03906	6.0
130.49869	2.0
132.04436	3.7
134.06033	3.3
136.07603	23.0
137.05988	5.2
138.09137	80.0
144.08156	1.7
148.07559	19.2
150.05452	2.8
150.09129	7.1
152.07051	3.9
160.03934	21.1
160.07527	3.8
162.05540	3.8
164.07021	3.0
166.08635	76.4
167.07138	2.3
172.03922	2.5
174.05551	2.9
174.09132	2.5
178.04997	3.6
180.06734	2.0
185.07051	2.0
190.04877	2.2
194.08182	2.6
197.10786	2.2
199.08611	2.7
204.06609	5.2
211.08667	7.4
211.12236	11.2
212.09373	2.3
212.12888	2.4
213.10159	11.1
214.08617	3.2
216.10179	3.0
219.07674	1.9
222.11473	3.5
223.08688	10.2
223.12274	6.4
224.09340	4.5
224.13002	4.0
225.10196	45.2
225.13847	5.4
225.98494	1.9
226.10977	20.6
227.11807	19.9
231.01555	1.9
232.09576	2.6
235.08653	6.4
235.12283	3.7
236.09486	5.9
237.10262	20.4
237.13904	7.3
238.10966	16.8
238.85556	2.0
239.08191	17.2
239.11787	71.3
240.12521	15.5
241.09760	5.6
241.13307	6.8
244.09697	2.6
246.11324	4.7
248.09306	3.4
249.10143	15.5
250.10910	17.2
251.08098	8.1
251.11769	61.2
252.08897	5.5
252.12573	12.9
253.09735	19.8
253.13364	54.6
254.10475	23.3
254.13954	5.3
255.07855	2.1
255.11215	3.1
263.08771	2.8
263.11807	35.8
264.09015	2.7
264.12549	7.1
265.09726	19.2
265.13370	58.9
266.10477	13.9
266.14014	8.5
267.11267	38.3
267.14978	9.0
268.11960	5.9
269.12869	4.8
271.10764	5.2
272.45184	2.0
275.11884	3.0
277.09775	8.1
277.13284	4.8
278.10406	9.2
279.11243	36.1
280.12106	9.7
281.09760	3.6
281.12863	74.5
282.13443	5.0
283.10767	10.6
283.14410	8.5
284.11609	3.5
285.12332	28.6
286.13068	8.3
290.09842	2.0
291.11182	13.7
292.12009	4.9
293.09586	3.9
293.12863	32.5
294.13583	3.9
295.10794	7.5
295.14316	9.1
296.11581	4.7
297.12411	15.8
298.13190	8.8
299.13876	28.6
307.10724	5.3
308.11322	2.3
309.08734	4.4
309.12323	75.0
310.12888	7.8
311.10321	1.2
311.13852	35.5
312.14484	4.5
313.15417	8.1
319.10690	5.7
321.12277	14.1
323.13928	5.2
325.11752	5.8
325.15213	3.6
326.12466	2.5
327.13406	43.5
328.13965	3.4
332.17645	2.5
337.11844	7.5
338.12616	4.4
339.13440	18.6
341.14969	67.9
342.15530	3.6
344.13748	2.3
344.17688	2.5
345.14764	2.1
351.13492	11.6
352.14056	2.9
353.14920	21.1
355.16656	2.3
357.14761	4.7
358.15231	3.2
359.16147	5.5
368.13672	2.9
369.14468	40.9
370.15292	3.1
371.16034	21.1
372.17029	4.7
374.14542	2.2
377.14844	2.4
379.12692	2.9
379.16971	2.5
381.14581	4.5
383.15994	9.4
395.16116	3.5
399.15036	2.3
400.16647	4.1
401.17062	7.9
407.15771	4.7
411.15494	27.1
412.16391	2.6
413.17145	21.6
413.99780	2.2
414.18048	4.8
416.19720	7.6
423.15399	2.9
425.17258	16.0
429.16629	17.7
430.17258	6.5
432.19229	7.3
435.15637	15.5
437.17389	6.0
439.14615	2.6
440.16095	2.5
441.16541	8.2
442.17523	5.6
443.18030	16.4
444.19254	2.8
447.15530	3.2
448.18365	3.5
453.16470	50.7
454.17004	3.3
455.18164	9.6
456.18665	3.1
460.18613	4.7
462.20078	5.4
465.16544	7.5
467.18002	5.9
471.17603	46.8
472.18152	4.6
473.19260	17.9
474.20056	14.6
480.21445	3.7
481.15906	6.0
483.17474	9.3
485.19485	11.3
490.19659	3.8
492.21576	12.4
497.19260	5.7
499.17038	3.4
501.18701	3.5
503.13461	2.7
503.19925	12.1
506.22943	5.7
513.18713	16.7
514.19513	3.4
515.20209	19.0
522.22400	22.0
523.22034	2.9
531.19739	12.4
533.21350	15.0
534.22241	24.6
542.22760	3.5
554.22302	2.2
556.20581	7.9
558.22034	4.4
560.23761	3.0
562.21533	8.6
568.20465	3.5
570.23212	2.9
574.21735	16.1
582.23749	2.4
586.21912	15.5
588.23309	24.0
592.22778	22.4
594.24530	57.5
595.24799	6.0
600.23572	19.9
601.22943	2.9
603.25348	4.9
604.22815	13.3
606.14923	3.9
606.24402	57.8
610.23590	4.0
613.26434	5.0
618.24384	41.2
619.24005	4.1
622.23798	6.7
624.25507	100.0
625.25720	5.0
627.28058	3.4
632.25348	5.3
636.25513	79.5
637.25903	3.8
642.26257	5.7
650.26367	2.3
650.43658	2.3
652.25317	3.2
654.26373	29.4
655.27271	3.8
664.24493	8.2
667.27203	5.0
668.26825	3.6
675.28198	2.7
687.30487	4.2
693.28644	8.4
703.26959	3.0
707.30457	16.4
711.30188	3.1
721.28625	16.2
725.31744	51.6
726.31451	4.9
729.30762	2.8
735.30225	4.7
739.29047	10.8
743.32214	16.6
753.31036	25.5
757.30859	12.4
761.33612	4.8
771.32385	14.9
789.33832	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	807.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.6
61.02914	6.3
65.03948	3.3
67.05503	33.5
69.03415	10.3
69.07059	12.1
70.04983	15.5
71.05004	3.8
73.02924	5.0
79.05498	27.7
80.05845	4.2
81.03421	32.4
81.07060	32.9
82.03757	3.2
82.06578	6.1
82.07394	3.7
83.04959	9.0
83.08619	7.9
85.02898	8.8
86.09708	4.5
91.05477	31.0
92.16853	3.1
93.07050	38.3
94.06564	25.2
95.04972	19.5
95.07362	17.8
95.08590	14.7
96.08138	39.9
96.08936	5.0
97.02880	10.2
97.06541	12.1
97.10126	3.5
103.05480	6.2
105.07030	19.9
107.04946	12.8
107.08591	10.3
108.04472	7.8
108.08130	55.3
108.08862	6.2
109.02860	9.4
109.06516	8.5
109.08941	4.5
109.10158	5.9
110.09688	65.3
111.04465	5.1
111.08009	2.9
117.07038	6.9
119.08556	10.0
120.04461	3.4
120.08115	46.2
121.06513	8.2
121.10137	10.5
122.06025	28.0
122.09651	8.1
123.08091	4.9
124.07578	4.2
125.09625	3.4
127.03913	10.6
129.07008	7.1
131.08575	8.1
132.04414	3.8
133.10115	11.5
134.06006	8.5
134.10463	3.7
135.08104	5.6
135.11641	5.9
136.07587	27.4
137.05980	29.3
138.06317	4.4
138.09151	85.5
139.11188	3.8
143.08591	2.9
143.26613	2.7
145.02904	3.5
145.10063	5.1
146.05981	4.4
147.04391	7.1
147.08028	4.3
147.11668	7.8
148.07565	22.9
149.05902	4.5
150.09119	8.9
152.07077	5.4
154.82344	3.3
155.08540	3.5
160.03912	21.9
160.07564	6.0
161.09630	5.7
163.07556	10.3
163.11150	10.2
164.07069	6.0
166.08649	94.7
167.01894	3.3
167.07085	8.2
167.08992	5.3
171.11621	4.4
172.03951	5.5
173.09712	3.7
174.09134	3.3
175.07584	3.8
177.05482	8.1
184.07390	14.3
190.05087	3.7
192.95834	2.7
193.08559	4.0
193.12239	4.5
198.85799	2.8
199.08679	7.2
204.06541	10.3
211.08667	9.2
211.12166	7.0
213.06650	3.2
213.10266	10.2
214.08900	3.0
223.08708	11.3
223.12318	4.8
224.09363	3.1
225.10251	47.6
225.13812	6.3
226.10895	16.6
227.11589	18.3
235.08632	6.0
235.12352	3.7
236.09450	6.3
237.10188	21.2
237.13953	5.1
238.10968	18.7
239.08151	19.1
239.11789	70.7
240.12596	14.1
241.13379	9.0
244.09790	4.1
246.11107	3.5
248.09285	3.7
249.10210	10.3
250.10855	16.3
251.08138	12.4
251.11783	64.4
252.08911	6.4
252.12497	9.2
253.09782	20.8
253.13345	52.3
254.10495	22.9
254.14058	3.6
255.11183	3.6
263.08093	3.0
263.08746	3.6
263.11758	39.8
264.08984	3.5
264.12402	5.2
265.09769	20.9
265.13345	63.3
266.10440	17.6
266.13974	8.1
267.11316	43.7
267.15378	5.7
268.11911	5.6
269.12860	6.7
271.10760	10.1
273.18576	6.3
274.18802	4.1
277.09656	8.1
277.13205	4.1
278.10532	11.7
279.11313	39.0
280.11917	8.3
281.12854	69.6
282.13318	5.4
283.10788	13.3
283.14908	6.3
284.11392	6.1
284.15408	3.9
285.12323	34.9
285.15170	4.8
286.13055	9.3
291.11267	11.1
291.19525	6.1
292.12061	6.6
292.20032	3.5
293.12885	31.4
294.13382	3.6
295.10962	6.1
295.14505	8.7
296.11572	7.1
297.12387	19.1
298.13138	5.9
299.13901	27.2
301.16418	5.6
302.17096	4.4
307.10617	3.7
309.12311	60.4
310.12848	10.9
311.13882	36.2
312.14313	5.5
313.15439	10.2
319.10596	5.8
321.12305	13.3
323.13947	6.8
325.11652	7.4
325.15411	3.9
327.13385	45.8
337.11884	8.5
339.13406	12.4
341.14975	77.7
351.13370	10.1
353.14908	18.0
357.14542	6.4
358.15485	6.7
359.15958	6.6
365.23114	3.8
367.12231	3.4
369.14395	44.0
370.15207	4.0
371.15875	20.4
381.14520	6.9
382.15445	3.7
383.16415	5.5
386.18790	4.5
387.15652	3.3
399.15491	5.3
401.16980	5.0
407.15829	4.4
411.15518	27.7
412.16162	5.0
413.16934	17.1
414.17865	5.1
416.19635	7.8
425.17157	16.8
429.16589	15.3
432.18887	4.7
435.15350	15.3
437.17365	4.3
439.14636	3.6
441.16675	5.2
442.17572	5.2
443.18045	16.3
444.18665	5.0
448.18854	3.5
453.16614	47.9
455.17825	7.1
460.18677	8.1
462.20096	8.8
465.16626	9.6
467.18176	6.4
471.17651	44.8
473.19205	15.8
474.20102	17.1
480.20630	5.7
483.17563	10.5
485.19040	9.3
492.21570	19.2
497.19180	7.3
501.18628	4.0
502.19186	5.5
503.19855	10.9
506.22760	3.9
513.18671	14.3
515.20599	18.5
522.22479	24.4
531.19702	11.4
533.21143	18.2
534.22229	27.8
556.21051	6.8
558.21960	6.0
562.21722	8.7
568.20740	6.1
574.21545	12.9
574.34241	8.0
576.23566	4.9
586.21753	14.0
588.23663	24.2
592.23090	17.5
592.35065	9.4
594.24493	66.4
595.24792	7.8
596.91510	3.3
600.23309	21.5
604.22955	14.9
606.24457	60.6
618.24524	42.8
622.24164	6.1
624.25470	100.0
625.25586	5.8
627.33661	6.1
631.24933	5.5
632.25293	9.9
634.23822	4.1
636.25507	99.8
644.37842	15.1
645.38538	33.9
652.24963	5.4
654.26556	28.6
664.24707	11.0
667.26660	6.5
668.28247	4.4
675.27679	5.6
685.27161	4.3
687.30286	4.2
693.28711	7.5
703.26520	4.8
707.31171	16.5
711.29816	5.1
721.29218	14.6
725.31830	54.4
735.29449	5.6
739.29663	16.4
743.32556	22.8
753.30981	21.5
757.30176	12.5
761.33441	5.0
771.31885	15.1
775.30981	3.7
789.32959	11.3
807.43811	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	807.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.1
61.02921	5.5
61.26489	3.7
67.05500	11.2
69.03413	19.9
69.07063	7.0
70.06609	3.9
71.04994	6.0
71.58503	6.2
75.05560	3.7
75.13416	3.4
79.05479	10.6
81.03410	18.7
81.07063	10.7
83.04990	8.2
83.08611	4.4
85.02903	19.2
85.83784	3.9
91.05490	20.7
93.07037	17.6
94.06587	21.5
95.04996	7.6
95.07342	13.5
95.08646	5.9
96.08139	37.0
97.02888	14.4
97.06532	12.0
103.05481	8.4
105.07031	10.1
106.06564	9.5
107.04961	7.6
107.08595	13.4
108.04507	4.6
108.08120	62.7
109.02870	15.1
109.08878	4.0
109.10172	7.7
110.09685	56.7
111.04414	5.0
117.07049	4.5
117.47856	3.9
119.04955	6.6
119.08560	5.3
120.04460	8.7
120.08107	45.1
121.06498	6.9
122.06038	19.2
123.04412	4.4
124.07613	9.9
127.03935	12.1
131.04950	4.9
131.08582	5.5
133.10109	6.8
134.05994	9.0
135.04488	4.6
136.07573	45.7
137.05989	38.6
138.09145	97.6
145.02867	7.2
146.06042	7.7
147.04404	30.6
148.04829	4.9
148.07558	30.7
150.05486	5.3
150.09125	12.4
151.03896	9.1
152.07098	12.7
160.03989	10.6
160.07599	11.5
163.03935	7.7
163.07535	6.5
163.11134	5.5
164.07080	10.8
166.08655	100.0
167.05794	4.5
167.07002	20.8
172.03964	22.1
174.05498	7.6
177.05510	13.5
179.07022	4.5
181.05061	6.5
183.09256	4.2
184.07388	4.2
190.05009	22.8
190.67276	4.4
193.08617	4.4
194.08047	5.8
197.85535	4.9
204.06535	36.5
211.12291	14.6
212.09424	6.9
213.10236	12.2
214.08884	5.8
219.01845	4.4
223.08685	9.5
223.12350	9.7
225.10251	45.5
226.10997	14.2
227.11754	19.9
235.08794	6.1
236.09355	6.2
237.10220	37.2
237.13837	6.4
238.11024	17.0
239.08092	10.0
239.11755	63.9
240.12543	19.5
241.13219	10.6
249.10272	16.3
250.10971	12.7
251.08182	13.9
251.11761	53.5
252.12616	12.0
253.09755	35.4
253.13371	25.2
254.10353	7.3
255.11266	8.0
262.10931	5.6
263.11783	33.1
264.12592	7.7
265.09772	56.7
265.13174	34.2
266.10568	18.8
266.14066	12.9
267.11316	50.1
267.14240	6.9
268.11890	6.4
269.12674	7.9
271.10818	11.7
277.09818	9.2
278.10501	16.8
279.11292	55.6
280.11978	10.1
281.12891	42.2
283.10837	20.1
283.13977	5.1
284.11551	8.9
285.12354	94.3
286.13013	10.7
287.13876	5.1
291.11267	18.4
292.11807	8.2
293.12823	24.8
295.10770	8.9
295.14099	7.2
297.12378	31.8
298.12994	13.7
298.17755	4.2
299.13907	42.3
307.10852	17.8
309.12372	18.4
310.12833	21.2
311.10724	6.0
311.13834	28.4
313.15405	12.3
319.10709	10.7
321.12262	16.5
321.24512	5.3
323.13693	5.3
325.11813	14.3
327.13351	27.4
328.14041	6.8
330.15695	5.4
335.13748	5.1
337.11703	13.3
339.13345	13.8
341.14926	23.6
344.13766	5.8
353.14938	11.8
357.14401	14.3
358.15268	7.0
359.15720	8.8
369.14417	12.6
370.15369	6.5
371.15939	5.8
376.20410	5.7
381.14398	7.2
383.16119	6.3
399.15408	7.0
400.16470	9.0
401.17169	5.7
404.19724	5.4
411.15482	14.7
413.16925	8.1
418.17380	7.3
423.15424	6.7
425.16876	7.0
428.15341	5.6
429.16650	13.4
430.17587	10.2
432.19165	12.7
441.16501	15.2
443.18048	13.7
453.16495	15.2
455.18222	6.4
469.16019	7.1
471.17816	23.2
473.18866	6.0
474.20117	11.2
478.70084	5.9
481.15665	12.9
483.17456	7.1
485.19235	6.9
490.19214	8.4
492.21179	9.5
501.18549	7.8
503.20111	9.1
523.22864	10.1
524.24304	5.7
531.20520	5.7
533.20758	5.3
534.22540	10.0
566.25250	7.3
586.21924	6.0
588.23248	9.3
592.23120	18.2
594.24146	16.4
595.25635	6.9
600.23254	10.4
604.22485	11.4
606.24646	25.9
608.25677	12.0
613.26563	10.1
617.23389	5.4
618.24274	21.1
622.23761	8.5
624.25763	24.8
632.25195	5.5
634.23981	43.9
635.24597	31.7
636.25604	56.3
649.25623	12.8
650.27191	10.2
652.24872	56.4
653.25385	15.1
654.26465	19.8
655.27283	7.0
666.26807	10.4
667.27423	77.0
668.28345	29.0
684.27277	16.1
685.28271	44.5
686.28540	9.0
721.28149	16.6
725.30908	8.2
739.29962	21.7
753.30603	16.3
757.30780	50.2
775.31604	18.5
789.34137	20.7
807.34540	10.2
837.30396	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	805.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	22.3
57.07471	6.6
61.02913	11.6
67.05509	72.6
69.03413	13.4
69.07057	20.9
71.04988	16.0
71.57403	9.0
73.02913	9.9
79.05489	60.3
79.20201	6.6
81.03430	14.9
81.07065	84.2
83.08595	16.7
85.02876	13.2
85.06532	9.3
86.09686	25.1
91.03984	7.8
91.05480	49.5
93.07050	62.4
95.04957	17.5
95.08611	56.6
97.02881	13.9
97.06503	20.7
99.08092	66.8
105.07029	36.1
107.04929	21.4
107.08596	26.8
109.06499	12.3
109.10151	17.5
111.08069	7.8
115.07572	12.3
117.07013	13.9
119.08573	25.5
121.06496	11.4
121.10125	33.3
123.08082	10.1
124.99990	19.4
127.03957	9.3
127.07545	25.3
129.07027	10.6
131.08548	31.8
133.10129	21.5
135.11717	12.9
139.42010	7.4
145.10098	21.6
147.11673	9.3
149.09618	14.8
159.11676	15.0
161.09581	9.3
171.11688	8.8
173.13274	10.2
175.11192	9.9
184.07347	100.0
194.78119	7.0
201.07742	7.2
217.15898	7.1
261.22098	6.8
273.18475	30.2
291.19553	49.7
291.22409	7.4
298.96927	7.3
309.20462	9.0
335.25916	60.4
347.22067	17.6
347.58560	7.3
365.23273	27.8
607.43915	8.1
625.44690	35.7
643.45856	82.1
671.51593	10.6
787.48712	7.8
805.50623	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	805.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.8
60.08156	7.2
67.05506	10.5
68.66848	2.4
69.03407	2.2
69.62302	11.3
71.07363	4.0
76.12204	2.0
79.05482	7.0
81.07055	12.6
86.09706	32.2
87.10043	4.1
91.05476	5.6
93.07035	9.0
95.04953	8.5
95.08606	7.7
97.06541	2.3
98.98448	2.9
104.10759	2.2
105.07030	4.8
107.04942	2.9
107.08593	4.9
109.06514	6.3
109.10125	3.0
113.05991	2.4
117.07048	2.4
119.08538	4.4
125.00022	24.5
131.08582	3.2
131.53175	2.4
133.10175	2.6
135.08012	4.7
145.10229	2.6
147.13521	2.1
151.80312	2.3
184.07353	100.0
185.07715	11.4
210.91666	2.9
217.15900	2.8
273.18689	5.4
287.86276	2.5
291.19482	17.1
335.25772	9.1
335.53995	2.2
347.21906	2.3
349.23581	2.9
365.22928	3.0
625.44684	11.4
805.53436	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	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	19.6
57.07076	3.6
59.05008	3.8
61.02924	5.8
65.03934	6.8
67.05504	81.1
69.03442	11.7
69.07071	34.1
70.78867	7.6
71.01353	3.2
71.05005	13.4
73.02909	3.9
79.05494	72.9
81.03420	100.0
81.07059	84.1
83.04982	18.4
83.08627	41.4
85.02905	13.9
85.06544	8.2
86.09702	6.2
91.03975	3.2
91.05486	68.5
93.07048	63.9
95.04968	45.9
95.08604	40.2
97.02887	9.3
97.06541	15.6
97.10175	30.3
99.08099	4.0
103.05452	4.3
105.07041	54.5
107.04967	19.4
107.08600	51.8
109.02906	2.8
109.06528	16.6
109.10148	34.0
111.04453	4.9
111.08086	14.4
113.06010	3.3
115.05427	4.7
117.07014	15.4
119.04945	4.0
119.08588	41.5
121.06503	12.7
121.10149	25.7
123.04407	3.6
123.08067	8.0
123.11688	8.4
125.00030	3.3
125.05998	3.0
125.09637	20.9
127.03912	2.7
128.06219	4.4
129.07014	21.8
131.04948	4.4
131.08572	37.6
133.06514	8.1
133.10139	37.9
135.08055	11.3
135.11682	12.9
137.05977	23.2
137.09595	7.1
142.07770	4.6
143.08583	8.6
145.06490	6.5
145.10121	18.6
147.04437	3.1
147.08023	11.3
147.11711	21.8
149.09630	21.5
149.13281	14.0
151.11186	7.5
153.09137	3.4
155.08540	6.8
157.06451	2.5
157.10117	20.1
159.08055	3.5
159.11728	13.7
161.05978	4.2
161.09631	5.1
161.13280	6.0
163.07576	4.7
163.11148	17.2
165.12794	4.6
167.07053	7.8
169.10179	4.5
171.11708	6.9
173.04601	3.3
173.09628	4.4
173.11876	4.8
173.13283	5.8
175.11258	12.8
177.09183	2.9
177.12766	4.5
179.14209	3.2
181.12291	5.0
183.11736	6.0
184.07332	21.5
185.09674	3.2
185.13281	5.1
187.07468	2.8
187.11195	3.9
189.09164	3.4
189.11243	7.4
189.12805	2.7
193.08711	3.1
193.12242	29.2
195.13814	2.8
209.11624	2.9
211.13307	4.2
223.13232	3.4
227.12811	23.1
229.12384	2.4
229.14246	11.4
233.15256	2.8
245.13840	3.0
249.14827	3.5
253.14351	4.4
255.15858	8.8
256.65845	2.5
257.19135	5.3
265.14401	2.7
267.15945	93.3
269.17456	20.1
273.18661	7.3
275.20062	28.2
281.12860	2.8
291.19525	20.8
292.99255	2.6
299.20047	4.0
299.43619	2.4
309.12341	2.5
317.16092	3.5
349.23761	23.2
365.23199	10.4
369.24112	4.6
421.25635	6.8
435.27493	2.9
443.28043	9.0
447.27435	27.4
449.30493	3.5
461.29028	84.0
465.29245	3.1
467.31570	4.7
493.31580	11.2
497.27414	2.7
501.32324	4.4
511.29059	6.8
519.32916	8.4
541.35284	73.3
559.36346	24.8
591.36255	5.2
782.45886	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	805.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31103	0.4
60.39421	0.3
65.03933	1.5
66.04729	0.4
67.05508	1.1
71.04999	0.5
71.58412	0.4
71.58819	0.5
73.02924	0.4
76.52932	0.4
77.03920	1.0
77.66138	0.3
78.04712	1.3
79.05502	3.5
81.03418	0.9
81.07046	1.7
85.02905	0.8
86.09712	0.4
89.03904	0.8
91.05479	16.7
93.07050	2.3
94.04165	2.7
95.04961	3.1
95.08590	0.7
97.10149	0.4
103.05463	20.9
105.03378	1.2
105.07031	3.4
105.54414	0.4
106.04182	0.7
107.04950	9.4
109.06523	2.1
115.05447	4.5
117.07020	7.2
118.04172	0.9
119.04944	21.9
119.08577	1.0
121.06531	2.8
122.03642	6.9
123.04415	4.2
124.05233	1.8
125.05994	0.5
127.05474	0.4
128.06223	0.7
129.03400	0.4
129.06999	1.3
131.04926	55.2
132.02124	0.4
133.02864	1.5
133.06485	3.7
133.10182	0.5
134.03633	0.4
135.04430	2.8
135.08058	1.0
135.11697	0.5
136.05173	1.2
137.05972	96.3
138.06262	0.9
141.06989	0.7
143.04916	1.2
144.05664	0.5
145.02866	1.0
145.06483	11.2
145.10040	0.5
146.03621	0.9
147.04408	19.8
147.08038	1.8
148.05190	0.6
149.05989	4.5
151.03929	1.9
151.07512	2.6
152.04678	1.3
153.05441	1.3
153.06897	0.8
155.05991	0.9
155.07103	0.9
155.08505	0.5
157.03981	1.2
157.06461	1.4
159.08107	0.9
160.05182	1.5
161.05974	6.4
162.03151	0.5
162.06747	1.1
163.03905	6.7
163.07539	66.4
164.04642	1.1
164.07991	0.9
165.05530	2.4
165.09117	1.0
166.06247	1.0
167.07036	100.0
168.07404	1.1
169.06477	1.0
171.08096	1.2
173.05957	9.4
174.06792	0.9
175.03909	32.9
175.07512	8.8
176.04594	0.6
177.05464	5.2
177.09093	8.2
178.06160	0.4
179.07031	12.3
180.07768	0.9
181.04941	1.6
181.06386	0.6
181.08600	9.1
184.07277	0.5
187.07524	3.1
189.05476	0.6
189.09126	4.3
190.06265	1.0
191.07034	7.3
193.08592	6.5
195.06528	7.5
196.35509	0.4
197.08118	2.7
199.07588	0.8
201.09120	1.1
203.07034	11.0
203.10690	2.8
205.04990	4.3
205.08589	19.3
207.06526	58.9
207.09959	7.9
209.08083	4.4
213.09183	1.0
217.08609	2.0
219.08295	0.4
219.10185	1.3
221.08080	12.2
223.09642	4.9
225.07544	5.1
229.08606	1.2
231.10181	2.9
233.11635	0.9
235.09689	4.8
247.09622	2.5
249.11241	2.6
253.10716	7.5
261.11200	1.1
267.12314	0.9
281.13211	0.4
289.08603	0.4
292.10864	0.4
309.11285	0.5
315.12167	0.6
327.12628	0.4
335.12610	0.8
339.12140	0.4
341.14240	0.6
351.12167	0.6
353.14087	0.4
355.15359	0.5
359.15109	1.0
365.13974	0.7
367.15424	4.8
383.14911	7.5
385.12936	1.3
385.16693	10.0
386.16846	0.7
387.17966	0.5
401.15839	3.2
403.12341	0.7
403.17505	14.3
545.21497	1.1
563.22437	1.3
581.23389	1.0
608.34180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.1
65.03919	4.4
67.05497	14.9
69.03434	18.0
69.07025	3.6
70.10625	13.9
71.04988	5.4
78.48288	3.7
79.05495	8.9
81.03410	24.1
81.07038	8.8
83.08613	3.7
85.02910	21.3
86.09699	10.1
91.05468	12.8
93.07053	7.6
94.06551	23.9
95.04961	12.4
95.08602	4.0
95.63031	3.1
96.08128	12.7
97.02890	14.1
97.06518	5.4
99.04434	4.7
99.28620	3.1
103.05419	4.4
105.07005	6.0
106.06557	16.2
107.04928	4.9
107.08607	3.9
108.04472	9.8
108.08122	38.1
109.02867	13.9
109.10119	4.6
110.09669	10.6
114.61257	3.4
118.06556	4.3
119.08626	4.2
120.04478	8.2
120.08081	13.6
122.06044	40.4
122.09704	4.4
124.07640	5.7
125.09547	3.5
127.03907	13.0
131.04907	4.2
131.08485	4.8
133.10095	6.2
134.06024	86.2
135.04419	4.1
136.07582	74.1
137.05980	19.1
137.73091	3.1
138.09126	30.4
139.03847	3.4
145.10106	4.6
146.06018	13.2
147.04398	6.2
148.07538	18.7
150.05550	4.5
150.09111	9.3
151.03871	5.9
152.07042	15.6
160.04025	18.0
160.07553	4.3
162.05481	8.1
163.03949	4.0
164.07071	49.7
166.08635	21.9
167.07060	21.6
172.03987	24.3
172.07643	3.7
174.05449	7.0
175.07541	4.2
177.05446	11.2
178.04962	6.9
178.08604	4.1
180.26659	3.7
181.04919	12.0
184.07417	21.8
190.05037	8.1
199.08635	5.8
202.08617	6.8
204.06610	26.7
205.08618	6.3
209.10719	4.1
211.08701	18.7
211.12253	7.0
212.13106	3.4
213.10207	13.5
214.08568	4.7
220.19389	3.4
222.11372	6.4
223.08649	13.9
223.12280	8.5
224.09355	5.8
225.10213	60.2
225.13716	5.3
226.11003	20.8
227.11777	37.7
230.08052	5.4
235.08690	5.1
235.12337	4.8
236.09306	8.7
237.10214	40.2
237.13818	6.9
238.11043	25.1
239.08167	19.3
239.11809	75.7
240.12514	21.3
241.09749	8.7
241.13327	9.3
243.11415	4.2
249.10255	26.2
250.11000	24.8
251.08258	24.2
251.11758	84.6
252.08835	5.3
252.12518	20.8
253.09760	39.5
253.13388	56.8
254.10475	19.0
254.14090	4.8
255.08762	5.6
255.11478	6.1
256.09348	4.4
258.07623	10.1
263.08789	5.7
263.11786	53.9
264.08804	5.6
264.12540	13.8
265.09772	36.2
265.13351	81.7
266.10492	23.8
266.14063	12.0
267.11288	52.4
267.15085	7.2
268.11978	8.7
269.09689	4.1
269.12943	17.0
270.11194	5.4
271.10831	13.6
277.09741	16.8
277.13278	5.2
278.10406	16.9
279.11295	61.1
280.12061	12.0
281.09656	6.7
281.12863	74.8
283.10751	21.4
283.14145	6.7
284.11551	9.7
285.12335	42.4
286.12939	8.6
288.12595	3.7
291.11292	20.3
292.12033	7.2
293.09604	6.4
293.12894	45.6
294.13635	6.1
295.10770	13.0
295.14386	12.5
296.11395	8.5
297.12329	26.7
298.13110	10.1
299.13940	28.4
305.09106	5.9
307.10770	11.3
309.12338	54.3
310.12817	4.6
311.13916	48.9
313.12042	8.3
313.15485	12.2
314.12897	4.0
316.14563	5.2
319.10715	14.0
321.12204	22.3
323.10193	6.8
323.13632	8.0
325.11795	14.6
326.12665	6.1
327.13440	45.2
328.14523	6.7
330.16125	4.3
337.11673	11.0
339.13547	23.2
340.14313	6.0
341.11166	5.7
341.14999	69.4
342.12283	8.0
342.15961	8.2
343.13275	8.1
344.13901	8.4
351.13467	13.1
353.11200	5.4
353.14893	27.6
355.12967	9.4
356.13751	8.5
357.14340	9.4
358.15469	15.1
359.16003	4.6
368.13943	4.3
369.14420	47.0
370.15393	9.3
371.16068	26.5
372.17313	6.7
381.14511	9.4
382.15796	5.4
383.15900	10.1
384.13208	4.4
384.17520	5.3
386.18744	5.2
388.16629	4.8
398.14886	11.8
399.15900	15.0
400.16516	13.2
409.14182	4.7
411.15506	29.7
412.16260	9.8
413.17047	30.6
414.18137	8.3
416.15601	7.0
416.20273	4.8
418.17487	4.0
423.15115	3.9
425.17184	14.8
428.15839	4.9
429.16434	16.0
430.17587	7.8
432.19327	7.8
434.17175	9.1
435.15567	19.9
437.17416	7.2
439.15503	4.5
440.15933	9.2
441.16455	6.9
442.17651	12.8
443.18420	16.5
444.19083	14.3
448.18961	5.6
449.19162	5.2
453.16559	51.2
455.18011	11.7
458.16830	7.0
460.18802	12.9
462.20175	9.9
465.16599	11.1
471.17578	40.1
472.18481	11.5
473.19089	13.9
474.20087	16.5
480.21149	10.1
481.16113	9.6
483.17496	10.3
485.18665	12.9
488.18076	3.9
490.19540	14.7
492.21066	18.5
495.17734	8.5
497.19171	12.8
499.17163	4.8
500.17783	4.9
501.18777	9.1
502.19412	10.9
503.20401	6.6
504.21252	28.5
513.18896	27.0
515.20306	25.6
516.21399	5.2
522.22748	16.4
531.19757	14.6
532.20709	8.3
533.21301	24.3
534.22406	42.9
540.21802	5.9
552.22955	4.5
556.20667	13.6
558.21613	4.8
562.21631	14.2
568.20587	6.9
570.22131	6.5
574.21661	15.0
576.22827	4.1
586.21753	27.0
588.23413	20.2
590.21631	4.6
592.22754	18.7
593.23547	11.5
594.24457	47.7
598.21729	21.9
600.23444	21.0
601.23828	7.2
602.22003	11.3
604.22968	24.5
606.24579	54.8
608.22260	9.7
611.24518	5.6
616.23151	37.2
618.24567	51.7
619.25165	7.2
620.22760	12.9
622.23676	5.8
624.15942	5.2
624.25531	70.7
624.35101	2.7
625.26367	16.1
630.24127	7.6
632.22449	5.9
634.24127	24.7
636.25616	100.0
637.25684	7.3
640.24603	5.3
643.27362	4.2
652.25354	8.2
654.26398	22.3
664.24902	21.4
665.25476	10.4
666.25812	11.0
683.25916	4.5
684.27246	9.7
685.28510	5.9
691.27557	10.8
701.25311	4.6
705.28668	6.8
709.27783	8.1
713.22681	4.5
719.27271	24.0
723.30005	40.9
727.29504	7.3
737.28082	23.8
741.31219	25.9
751.29944	18.1
755.29230	39.6
759.31720	7.2
769.30615	25.1
773.29773	10.2
775.31750	7.6
787.31769	24.9
805.32227	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.1
65.03919	4.4
67.05497	14.9
69.03434	18.0
69.07025	3.6
70.10625	13.9
71.04988	5.4
78.48288	3.7
79.05495	8.9
81.03410	24.1
81.07038	8.8
83.08613	3.7
85.02910	21.3
86.09699	10.1
91.05468	12.8
93.07053	7.6
94.06551	23.9
95.04961	12.4
95.08602	4.0
95.63031	3.1
96.08128	12.7
97.02890	14.1
97.06518	5.4
99.04434	4.7
99.28620	3.1
103.05419	4.4
105.07005	6.0
106.06557	16.2
107.04928	4.9
107.08607	3.9
108.04472	9.8
108.08122	38.1
109.02867	13.9
109.10119	4.6
110.09669	10.6
114.61257	3.4
118.06556	4.3
119.08626	4.2
120.04478	8.2
120.08081	13.6
122.06044	40.4
122.09704	4.4
124.07640	5.7
125.09547	3.5
127.03907	13.0
131.04907	4.2
131.08485	4.8
133.10095	6.2
134.06024	86.2
135.04419	4.1
136.07582	74.1
137.05980	19.1
137.73091	3.1
138.09126	30.4
139.03847	3.4
145.10106	4.6
146.06018	13.2
147.04398	6.2
148.07538	18.7
150.05550	4.5
150.09111	9.3
151.03871	5.9
152.07042	15.6
160.04025	18.0
160.07553	4.3
162.05481	8.1
163.03949	4.0
164.07071	49.7
166.08635	21.9
167.07060	21.6
172.03987	24.3
172.07643	3.7
174.05449	7.0
175.07541	4.2
177.05446	11.2
178.04962	6.9
178.08604	4.1
180.26659	3.7
181.04919	12.0
184.07417	21.8
190.05037	8.1
199.08635	5.8
202.08617	6.8
204.06610	26.7
205.08618	6.3
209.10719	4.1
211.08701	18.7
211.12253	7.0
212.13106	3.4
213.10207	13.5
214.08568	4.7
220.19389	3.4
222.11372	6.4
223.08649	13.9
223.12280	8.5
224.09355	5.8
225.10213	60.2
225.13716	5.3
226.11003	20.8
227.11777	37.7
230.08052	5.4
235.08690	5.1
235.12337	4.8
236.09306	8.7
237.10214	40.2
237.13818	6.9
238.11043	25.1
239.08167	19.3
239.11809	75.7
240.12514	21.3
241.09749	8.7
241.13327	9.3
243.11415	4.2
249.10255	26.2
250.11000	24.8
251.08258	24.2
251.11758	84.6
252.08835	5.3
252.12518	20.8
253.09760	39.5
253.13388	56.8
254.10475	19.0
254.14090	4.8
255.08762	5.6
255.11478	6.1
256.09348	4.4
258.07623	10.1
263.08789	5.7
263.11786	53.9
264.08804	5.6
264.12540	13.8
265.09772	36.2
265.13351	81.7
266.10492	23.8
266.14063	12.0
267.11288	52.4
267.15085	7.2
268.11978	8.7
269.09689	4.1
269.12943	17.0
270.11194	5.4
271.10831	13.6
277.09741	16.8
277.13278	5.2
278.10406	16.9
279.11295	61.1
280.12061	12.0
281.09656	6.7
281.12863	74.8
283.10751	21.4
283.14145	6.7
284.11551	9.7
285.12335	42.4
286.12939	8.6
288.12595	3.7
291.11292	20.3
292.12033	7.2
293.09604	6.4
293.12894	45.6
294.13635	6.1
295.10770	13.0
295.14386	12.5
296.11395	8.5
297.12329	26.7
298.13110	10.1
299.13940	28.4
305.09106	5.9
307.10770	11.3
309.12338	54.3
310.12817	4.6
311.13916	48.9
313.12042	8.3
313.15485	12.2
314.12897	4.0
316.14563	5.2
319.10715	14.0
321.12204	22.3
323.10193	6.8
323.13632	8.0
325.11795	14.6
326.12665	6.1
327.13440	45.2
328.14523	6.7
330.16125	4.3
337.11673	11.0
339.13547	23.2
340.14313	6.0
341.11166	5.7
341.14999	69.4
342.12283	8.0
342.15961	8.2
343.13275	8.1
344.13901	8.4
351.13467	13.1
353.11200	5.4
353.14893	27.6
355.12967	9.4
356.13751	8.5
357.14340	9.4
358.15469	15.1
359.16003	4.6
368.13943	4.3
369.14420	47.0
370.15393	9.3
371.16068	26.5
372.17313	6.7
381.14511	9.4
382.15796	5.4
383.15900	10.1
384.13208	4.4
384.17520	5.3
386.18744	5.2
388.16629	4.8
398.14886	11.8
399.15900	15.0
400.16516	13.2
409.14182	4.7
411.15506	29.7
412.16260	9.8
413.17047	30.6
414.18137	8.3
416.15601	7.0
416.20273	4.8
418.17487	4.0
423.15115	3.9
425.17184	14.8
428.15839	4.9
429.16434	16.0
430.17587	7.8
432.19327	7.8
434.17175	9.1
435.15567	19.9
437.17416	7.2
439.15503	4.5
440.15933	9.2
441.16455	6.9
442.17651	12.8
443.18420	16.5
444.19083	14.3
448.18961	5.6
449.19162	5.2
453.16559	51.2
455.18011	11.7
458.16830	7.0
460.18802	12.9
462.20175	9.9
465.16599	11.1
471.17578	40.1
472.18481	11.5
473.19089	13.9
474.20087	16.5
480.21149	10.1
481.16113	9.6
483.17496	10.3
485.18665	12.9
488.18076	3.9
490.19540	14.7
492.21066	18.5
495.17734	8.5
497.19171	12.8
499.17163	4.8
500.17783	4.9
501.18777	9.1
502.19412	10.9
503.20401	6.6
504.21252	28.5
513.18896	27.0
515.20306	25.6
516.21399	5.2
522.22748	16.4
531.19757	14.6
532.20709	8.3
533.21301	24.3
534.22406	42.9
540.21802	5.9
552.22955	4.5
556.20667	13.6
558.21613	4.8
562.21631	14.2
568.20587	6.9
570.22131	6.5
574.21661	15.0
576.22827	4.1
586.21753	27.0
588.23413	20.2
590.21631	4.6
592.22754	18.7
593.23547	11.5
594.24457	47.7
598.21729	21.9
600.23444	21.0
601.23828	7.2
602.22003	11.3
604.22968	24.5
606.24579	54.8
608.22260	9.7
611.24518	5.6
616.23151	37.2
618.24567	51.7
619.25165	7.2
620.22760	12.9
622.23676	5.8
624.15942	5.2
624.25531	70.7
624.35101	2.7
625.26367	16.1
630.24127	7.6
632.22449	5.9
634.24127	24.7
636.25616	100.0
637.25684	7.3
640.24603	5.3
643.27362	4.2
652.25354	8.2
654.26398	22.3
664.24902	21.4
665.25476	10.4
666.25812	11.0
683.25916	4.5
684.27246	9.7
685.28510	5.9
691.27557	10.8
701.25311	4.6
705.28668	6.8
709.27783	8.1
713.22681	4.5
719.27271	24.0
723.30005	40.9
727.29504	7.3
737.28082	23.8
741.31219	25.9
751.29944	18.1
755.29230	39.6
759.31720	7.2
769.30615	25.1
773.29773	10.2
775.31750	7.6
787.31769	24.9
805.32227	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.3
60.03934	2.6
60.08153	4.2
61.02928	6.0
64.70065	2.9
65.02572	2.9
65.03943	3.7
67.05499	9.3
69.03423	11.5
69.07050	4.5
71.59489	3.5
72.23351	2.8
79.05489	12.7
80.05015	3.8
81.03426	16.6
81.07055	5.6
83.04979	5.4
84.04520	6.3
85.02934	15.7
86.09698	11.6
91.03963	4.7
91.05478	10.0
93.07040	15.7
94.06562	20.3
95.04951	6.3
95.07350	8.5
95.08597	5.2
96.08128	22.0
97.02901	12.1
97.06530	5.6
99.04465	3.0
105.07035	8.4
106.06567	7.3
107.04964	5.0
107.07336	4.2
107.08617	3.6
108.04475	5.8
108.08114	45.4
109.02887	13.3
109.10185	3.1
110.09695	29.3
111.04466	3.2
116.05004	5.7
117.03309	2.7
118.06574	3.7
119.04966	4.3
119.08607	5.4
120.04476	10.4
120.08115	35.0
121.06525	4.5
122.06044	31.8
122.09673	10.0
124.07626	14.0
125.00006	7.3
125.09632	3.2
127.03892	15.6
129.06966	2.8
132.04449	4.0
134.06030	35.4
136.07591	54.1
137.05963	8.5
138.09151	49.1
144.04460	8.4
145.02876	7.3
146.06015	18.0
147.04410	13.1
148.07555	14.4
149.45886	2.7
150.05516	3.3
150.09169	5.8
151.03986	4.6
152.07098	7.8
153.05463	4.7
154.08571	3.4
160.03955	9.8
162.05504	10.9
162.09172	4.2
163.03983	3.9
164.07027	23.0
166.08658	44.4
167.07172	8.6
172.03937	42.9
174.05518	8.1
174.09103	3.3
176.07068	7.3
177.05469	13.0
178.04977	3.2
181.04948	4.2
184.07364	33.5
185.07629	5.7
190.05008	28.2
196.09955	2.9
197.10771	7.0
199.12347	8.7
204.06566	64.3
209.10896	5.3
210.09254	2.9
211.08727	8.4
211.12321	4.8
212.09402	6.3
213.10239	7.9
223.08723	8.5
223.12329	3.7
224.09412	3.9
225.10274	32.1
226.11047	10.5
227.11816	64.1
230.08415	3.6
235.08794	3.6
237.10219	20.7
237.13855	3.6
238.11052	13.2
239.08116	8.4
239.11804	37.2
240.12582	7.0
241.09700	3.1
241.13406	7.4
246.11359	4.2
248.13153	3.4
249.10156	15.9
250.11108	7.2
250.43045	2.8
251.08124	13.7
251.11836	31.8
252.12462	4.0
253.09729	22.9
253.13336	17.5
254.10501	7.0
255.11377	9.3
257.12723	4.1
261.10327	3.7
262.11304	3.6
263.08218	5.6
263.11847	16.5
264.09000	6.6
264.12561	10.2
265.09903	25.8
265.13220	25.2
266.10529	5.6
267.11343	26.9
267.15698	3.3
269.12888	27.5
271.10764	23.7
271.13654	5.1
273.12308	3.5
275.11612	3.1
277.09702	12.0
277.13239	3.2
278.10486	5.9
279.11209	24.7
280.11844	4.8
281.09549	5.8
281.12894	15.9
283.10800	10.7
285.12390	27.1
286.13107	6.5
287.13968	7.8
289.09671	3.7
291.11206	9.4
293.09378	4.9
293.12897	14.1
294.09879	3.8
295.10803	12.8
296.11749	4.9
297.12305	21.4
299.13855	22.2
302.13193	4.0
305.08984	5.2
307.10696	7.2
309.12393	36.6
311.10583	4.3
311.13873	23.5
312.15323	3.1
313.12122	9.8
314.12961	5.3
315.13605	4.9
316.11057	4.4
316.14456	7.1
319.10748	6.6
321.12350	12.4
323.10275	3.5
323.13849	3.9
325.11850	26.5
326.12894	5.9
326.16565	3.3
327.13403	38.9
327.17087	4.3
328.10876	4.0
328.14642	7.6
329.15158	16.2
330.12485	5.6
330.16135	7.4
331.16940	6.7
337.11890	13.4
338.12747	6.5
339.13480	17.6
340.14865	4.7
341.15277	14.4
342.12384	15.0
342.16193	5.7
343.12991	16.0
344.13943	7.1
344.17670	4.7
351.13840	5.5
352.14429	3.5
353.14893	9.0
354.12485	4.4
354.16379	4.6
355.13284	8.4
356.14023	10.2
357.14594	19.9
358.15552	16.8
359.16110	5.9
360.17178	3.6
367.13010	3.6
368.13968	5.3
369.14444	30.6
370.15521	10.6
371.16129	28.3
372.17017	11.4
382.11844	10.8
383.12640	8.0
384.13446	10.9
386.14938	11.5
386.19238	6.4
388.16946	3.7
390.18347	4.4
393.14645	3.4
394.15045	3.5
395.15994	13.2
397.14401	4.3
398.14981	44.3
399.15747	50.5
400.16528	8.2
411.15759	7.2
412.16479	10.3
413.17139	22.6
414.18304	4.9
416.15973	8.2
417.16928	4.4
428.15631	3.2
430.17722	8.7
431.18408	17.2
432.19403	14.9
434.16916	4.3
439.14822	3.6
440.16049	9.9
441.16864	4.6
446.17569	5.0
448.18787	7.6
449.19119	6.6
453.16656	8.4
455.18210	3.7
458.17117	12.2
460.18762	21.3
462.20383	3.5
471.17676	10.8
472.18686	8.5
480.21307	15.7
482.17084	3.2
488.18176	6.1
490.19843	21.7
492.21423	46.1
499.17145	5.0
500.18347	9.4
504.21039	5.6
506.19925	3.8
513.18408	9.2
515.19287	3.2
518.19305	4.6
522.22266	7.5
532.20673	6.1
533.21893	5.6
534.22272	10.7
548.19965	3.3
551.23181	4.7
554.19116	3.8
560.20288	11.9
562.21399	4.0
564.23895	4.1
572.19983	5.2
574.22021	5.4
576.23389	5.0
584.19934	5.6
586.22015	4.5
588.23499	5.7
590.20911	19.4
592.22357	5.0
593.23956	4.9
594.24353	7.4
598.21497	6.2
602.21295	47.6
604.22528	6.7
606.24335	12.7
608.22504	22.2
611.24982	24.7
616.22888	12.6
618.24292	9.6
620.22534	61.9
622.23877	6.9
624.25140	12.1
632.22449	4.5
634.23804	12.0
636.25623	20.0
640.24792	4.9
643.27423	7.2
650.23242	12.9
652.24890	18.4
653.25739	5.7
666.26270	5.1
682.26312	7.2
684.27625	14.1
693.28943	4.8
709.28094	8.5
711.30267	3.8
719.27026	15.2
723.30975	4.1
727.29053	8.9
729.31012	9.9
737.28339	22.9
741.31348	6.1
751.29211	4.5
755.16321	6.1
755.29230	100.0
759.32874	4.6
769.31293	4.7
773.30347	74.4
787.32031	13.9
805.33356	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	805.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	3.4
67.05502	4.5
69.03426	3.4
70.12392	7.1
71.52351	1.1
79.05501	4.4
79.82703	1.4
80.05009	2.5
81.03419	5.0
81.07047	2.1
85.02916	6.4
85.06505	1.3
89.03931	1.3
91.05499	5.9
93.05778	3.3
93.07043	6.8
94.06566	18.3
95.04981	3.7
95.07344	8.3
95.08627	1.8
96.08128	17.8
97.02893	2.7
97.06514	2.1
98.21458	1.4
101.02353	1.2
103.05473	2.7
104.04980	1.2
106.06567	3.6
107.04962	2.0
108.04476	5.9
108.08109	30.9
109.02879	4.8
110.06086	1.5
110.09682	25.0
116.04980	6.7
117.06978	1.6
118.06524	3.2
118.38530	1.3
120.04499	8.7
120.08104	22.3
122.06033	10.9
123.04473	2.0
124.07602	12.8
127.03928	3.9
128.52625	1.2
131.04808	1.8
134.06020	11.3
136.07574	27.4
137.05966	8.3
138.05479	2.0
138.09142	36.4
144.04456	10.5
144.08025	1.4
145.02951	1.7
145.06413	2.1
145.10106	1.9
146.06012	20.1
148.07552	10.9
152.07066	3.2
158.06026	1.6
158.09668	3.0
160.03951	14.5
160.07573	1.7
162.05524	9.4
163.07561	3.6
164.07025	8.7
166.08649	27.4
167.07056	18.8
167.08470	2.2
172.03934	47.8
172.07570	3.6
173.05849	1.5
174.05533	8.6
174.09218	1.9
176.07068	7.1
177.05475	1.7
178.05008	3.9
180.10292	1.6
181.04990	6.0
182.09694	3.5
183.09167	2.3
184.07443	2.1
184.09930	4.5
184.11383	1.6
186.09207	1.6
187.08699	2.2
190.04982	35.6
195.09187	2.3
196.07472	1.8
197.07175	1.3
197.10812	4.1
198.09302	1.7
199.08653	3.2
199.12273	9.8
204.06555	62.9
205.08630	2.5
209.10806	3.1
210.09216	4.9
210.11380	1.8
211.08665	7.5
211.12234	2.3
212.09344	6.6
213.10266	3.2
214.11154	1.6
215.11803	2.1
221.10736	2.4
223.08643	3.2
223.12305	2.3
224.09340	3.0
225.10220	25.8
226.08839	1.5
226.11028	5.8
227.11784	63.5
229.13249	2.4
235.08699	2.2
236.09441	3.6
237.10179	12.8
238.11053	4.6
239.08031	1.8
239.11763	11.1
240.12570	3.4
241.09729	2.7
241.13271	6.6
245.12901	1.6
246.11252	1.8
247.74248	1.3
249.10271	5.9
250.10992	2.4
251.08229	3.3
251.11839	9.9
252.08983	1.9
252.12604	2.1
253.09750	16.8
253.13353	3.4
255.11327	5.6
260.37390	1.4
261.10226	2.5
263.08151	5.7
263.11807	2.2
264.08893	6.8
265.09726	12.1
265.13336	1.7
266.10519	3.7
267.11279	11.1
269.12848	32.6
271.10797	24.3
271.14084	2.8
273.12469	6.3
277.09573	9.1
278.10345	1.8
279.11282	14.6
281.09381	3.0
281.12720	3.2
283.10883	8.2
284.11795	4.7
285.12384	12.2
286.13184	3.5
287.13922	19.1
290.12775	1.9
291.11267	3.1
293.09430	1.9
293.12726	2.4
295.10825	5.8
296.11588	1.9
297.12326	20.9
298.13297	1.8
299.14008	10.7
301.12460	1.8
302.12958	3.8
304.14670	1.5
305.09183	2.4
307.10754	4.4
309.12390	2.3
310.13113	1.7
311.14462	1.7
312.14984	4.0
313.12375	4.2
314.12958	5.9
315.13672	3.7
316.11127	2.1
316.14554	5.3
317.15311	2.3
318.16074	1.5
319.10974	2.3
321.12384	3.2
323.10303	6.1
325.11780	30.5
326.13071	3.5
326.16763	3.9
327.13440	7.0
327.17392	3.2
328.10754	3.7
328.14493	6.6
329.11642	2.4
329.15018	14.1
330.12354	3.9
330.16022	9.2
331.13168	2.6
331.16849	5.8
335.13797	1.7
337.12033	2.0
338.12869	1.8
339.13620	7.0
340.14685	2.1
341.11917	4.5
342.12430	17.0
342.16080	4.8
343.13019	18.0
343.16785	2.7
344.13937	5.4
344.17618	3.6
352.14511	2.2
353.15387	1.6
353.88983	1.4
354.12271	1.7
354.16150	2.8
355.13046	8.3
356.13916	19.0
356.17807	1.9
357.14532	23.5
358.15500	20.2
359.15784	2.4
360.17310	2.1
365.11148	2.1
367.13068	3.0
368.14014	3.9
369.14664	5.7
370.11688	3.0
370.15491	13.0
371.16547	6.4
372.13068	2.2
372.17096	7.4
373.17902	2.1
380.13770	4.5
381.14713	2.8
382.11707	11.8
383.12350	7.6
384.13199	13.0
384.17099	1.8
385.14169	5.6
386.14612	10.9
386.18802	4.1
387.15860	2.3
388.16525	3.5
390.18057	3.6
394.15485	4.4
395.16083	10.2
396.12906	1.8
396.17438	1.6
397.14529	2.8
398.14984	60.5
399.15775	74.1
400.16379	9.0
402.18555	2.5
404.15988	8.2
412.16516	7.5
413.17203	16.8
414.18625	7.6
416.15900	17.4
417.16803	3.2
418.17365	2.5
422.15158	2.9
428.15887	3.4
430.17612	7.1
431.18207	19.1
432.18698	2.7
440.16022	16.4
441.16397	4.0
446.16852	8.7
449.19061	7.0
458.17096	24.5
459.17484	3.4
460.18430	3.1
472.18396	2.5
478.19693	2.4
482.16901	2.4
490.19870	6.8
500.17972	7.0
506.19373	2.7
516.20868	2.0
518.19305	4.4
523.23547	3.4
528.21283	2.0
530.18988	3.7
531.19678	1.6
532.20313	1.9
533.22113	1.9
534.22302	3.1
542.19025	2.6
546.21942	1.7
548.19958	4.6
552.24139	1.7
554.19452	1.8
558.22144	3.1
560.20380	12.3
564.23438	2.0
565.24335	1.9
566.20239	1.9
567.26233	2.1
569.23962	3.9
572.20044	3.8
575.22534	2.3
576.23309	4.5
578.20819	3.1
583.25482	2.1
584.20123	6.7
590.21375	16.6
592.22815	2.3
593.23804	4.9
602.21326	41.9
608.22528	18.4
611.25012	82.8
620.22375	51.1
622.24109	2.9
634.23773	4.9
640.24231	4.1
643.27618	15.7
652.24731	10.4
653.25537	5.2
675.28589	1.6
684.27570	1.7
687.29315	1.4
691.27020	1.7
693.28760	4.6
701.26221	1.9
709.28638	3.8
711.29742	2.8
719.27167	9.6
727.29681	7.4
729.31464	8.8
737.28107	14.5
745.30115	1.8
751.29376	1.9
755.29181	100.0
756.29523	2.4
769.30621	1.8
773.30261	74.4
774.30182	1.7
787.32098	13.4
805.33173	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	805.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.8
67.05489	3.2
67.63714	1.4
69.03424	4.0
69.82557	1.2
70.96019	3.3
71.04984	1.9
76.20452	1.2
79.05497	4.2
80.05019	1.7
81.03419	6.6
82.06575	3.0
83.04995	1.5
85.02897	4.5
89.03927	2.8
91.05476	4.0
92.04964	1.5
93.05773	2.8
93.07038	6.0
94.06573	15.6
95.04979	2.4
95.07340	6.8
96.08136	17.9
97.02910	4.3
97.06531	1.8
99.04496	1.5
103.05483	2.0
106.06538	4.6
108.04475	4.2
108.08126	31.0
109.02904	2.5
110.09686	27.1
116.04974	4.6
118.06545	1.7
120.04472	9.7
120.08096	22.0
122.06037	15.8
124.07594	15.2
127.03918	3.2
127.45834	1.3
134.06009	8.6
136.06633	2.6
136.07581	30.4
137.05948	4.0
138.05527	1.7
138.09129	33.0
144.04483	8.9
144.08076	2.5
146.06023	16.9
148.07578	10.2
150.09128	1.6
152.07106	2.6
156.08055	1.6
160.03958	9.2
161.07100	1.8
162.05521	8.9
164.07095	7.3
166.08658	25.7
167.07063	11.3
168.08055	1.6
172.03940	50.7
172.07516	2.3
173.06020	2.1
174.05507	7.4
174.09125	2.4
176.07034	7.4
178.04962	3.3
181.04919	4.0
182.09633	3.2
183.09192	1.6
184.07513	1.6
184.09906	3.5
186.09160	1.5
187.08731	1.8
188.07057	1.8
190.05011	34.4
195.09242	1.8
196.09955	1.8
197.10765	6.6
198.11462	2.1
199.08575	2.3
199.12352	7.9
204.06570	61.5
205.08644	1.7
209.10757	2.4
210.07559	1.6
210.09213	5.2
210.11121	1.7
211.08624	7.9
211.12260	2.1
212.09425	5.7
213.10217	3.2
214.11043	2.0
215.11826	1.3
223.08739	4.5
223.12227	2.8
224.09441	4.4
225.10234	27.7
226.11000	5.0
227.11797	71.3
228.06535	1.8
229.13342	1.4
235.08644	2.6
236.09465	2.9
237.10214	11.0
238.11011	4.5
239.11761	8.4
240.12512	3.9
241.09729	1.7
241.13318	7.6
245.12888	1.5
249.10251	7.4
250.11066	3.1
251.08240	3.7
251.11761	10.5
252.08913	2.9
252.12642	2.4
253.09763	13.7
253.13297	4.8
254.10373	2.3
255.11406	6.2
257.12766	1.8
261.10229	2.7
263.08209	7.8
263.11780	3.0
264.08951	4.1
265.09665	13.3
265.13400	2.4
266.10449	4.1
267.11279	12.9
269.12836	29.5
271.10764	22.2
271.14066	1.9
273.12399	5.6
277.09680	8.4
278.10434	2.6
279.11295	17.8
281.09290	1.8
281.12854	3.4
283.10849	7.2
283.13620	1.6
284.11588	4.4
285.12372	15.7
286.13077	2.5
287.13977	12.9
291.11301	2.9
293.09253	2.5
293.12845	2.7
295.10867	3.8
297.12363	24.1
299.14050	8.9
301.12250	2.2
301.15793	1.8
302.13144	3.0
305.09134	2.5
307.10754	3.8
311.13947	4.2
312.11780	1.5
312.15060	3.0
313.12170	4.3
314.12909	4.5
314.16406	1.8
315.13919	3.2
316.11069	2.5
316.14444	5.0
318.16040	2.3
321.12256	1.7
323.10208	7.6
325.11813	32.5
326.12869	3.4
326.16635	3.4
327.13470	6.2
327.17221	1.7
328.10690	3.8
328.14444	8.4
329.11853	2.7
329.15173	11.4
330.12347	4.9
330.15982	9.2
331.13327	2.5
331.16919	6.3
338.12952	2.2
339.13358	5.9
340.14468	3.6
341.11578	3.2
341.15372	2.4
341.18912	1.9
342.12393	16.5
342.16061	3.9
343.13071	14.8
343.16922	2.4
344.13870	5.8
344.17526	3.9
346.15536	1.7
348.13406	1.6
351.13449	1.7
352.14767	3.2
353.15167	1.9
354.12466	3.4
354.16043	5.9
355.13116	6.6
356.13876	16.8
356.17630	1.0
357.14618	22.9
358.15460	17.2
359.15762	1.8
360.16846	3.1
367.13022	2.2
368.13962	3.7
368.17926	2.0
369.14978	6.2
370.15521	14.0
371.16116	5.6
372.13031	1.9
372.17377	6.5
373.18167	1.7
374.14963	2.9
378.18216	2.9
380.13937	3.0
381.14304	4.1
382.11694	11.3
383.12469	7.6
384.13150	12.4
384.17343	3.2
385.14120	5.9
386.14706	9.2
386.18896	3.7
387.15588	2.2
388.16599	5.3
390.18094	3.3
394.15594	2.0
395.16113	10.7
396.17404	2.8
397.14407	4.3
398.15030	65.5
399.15808	70.8
400.16696	8.4
402.18289	2.0
404.16031	7.9
411.15646	1.8
412.16495	8.4
413.17230	15.1
414.18033	4.8
416.15961	15.7
417.16730	2.2
422.15012	3.2
425.13565	1.8
428.15457	2.3
428.20410	1.6
429.16656	2.1
430.17606	8.0
431.18182	16.7
432.19077	4.0
440.16074	15.2
441.16684	1.8
442.17645	2.2
446.16962	7.3
449.19046	6.2
458.17053	21.0
459.17575	5.5
460.18588	2.4
470.16901	2.1
472.18726	3.3
476.18124	1.6
478.19632	2.2
487.16867	2.2
488.17963	2.6
490.19611	5.6
498.19604	1.7
500.18039	7.0
504.21106	2.3
506.19751	3.3
514.19409	2.4
516.21796	2.7
518.18854	4.8
522.22510	3.2
523.23273	2.4
528.21558	1.8
530.19244	2.9
532.20740	3.0
534.22406	4.6
540.21918	3.1
542.19250	3.4
546.22607	2.3
548.20123	5.4
551.22638	3.5
552.23163	2.5
554.18970	2.5
558.22339	2.0
560.20410	14.7
564.23474	2.2
566.20508	5.5
569.23798	2.0
572.20093	5.2
576.23401	4.0
578.21674	3.3
584.20258	6.6
590.21240	17.3
592.22382	2.3
593.23999	4.9
602.21295	44.3
603.21686	2.8
608.22272	19.0
611.24988	53.9
612.24951	2.7
620.22327	55.4
621.21960	2.7
622.23987	3.2
634.23572	5.5
640.24591	3.3
643.27545	10.2
652.24963	8.3
653.25739	4.7
685.28253	2.4
691.27887	1.9
693.28674	5.7
701.25775	3.1
709.28192	4.6
711.29956	3.8
713.27979	1.9
719.26459	11.7
727.29840	7.8
729.31354	7.8
737.28223	18.8
745.29993	1.9
751.28894	1.9
755.29187	100.0
756.28906	4.5
769.29865	3.3
773.30273	69.0
774.30475	3.2
787.31610	12.0
805.32239	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	804.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56268	1.2
57.03434	9.5
61.02940	2.9
67.05167	2.4
67.05506	31.8
69.03430	7.8
69.07071	18.4
71.04987	5.1
71.56434	2.0
71.56862	1.6
73.02938	1.7
79.05495	22.4
81.03421	53.1
81.07059	32.4
83.04992	7.3
83.08620	14.9
85.02908	2.5
85.06538	3.1
86.06054	2.3
86.09718	2.7
91.05479	27.6
91.06013	2.6
93.07045	19.5
95.04971	20.0
95.08608	14.1
97.02898	8.0
97.06542	4.5
97.10165	10.6
101.00635	1.2
103.05442	2.0
105.07036	22.7
107.04961	8.6
107.08601	15.1
109.02897	1.5
109.06511	5.7
109.10148	14.6
111.04453	3.1
111.08082	4.1
115.05476	1.7
117.07021	6.3
119.04927	1.7
119.08592	17.1
121.06497	5.4
121.10139	11.2
123.08075	3.6
123.11722	2.1
123.79935	1.2
125.09610	8.2
128.06265	2.5
128.08197	1.4
129.07013	11.0
131.04961	2.4
131.08560	11.7
133.06494	2.9
133.10136	15.9
135.08073	3.5
135.11688	3.1
137.05959	4.1
137.09621	2.3
142.07809	2.9
143.08562	4.4
145.06529	2.1
145.10155	6.4
147.04344	1.9
147.08060	4.6
147.11696	6.4
149.02420	1.5
149.06020	1.8
149.09636	6.0
151.11215	2.6
157.10139	9.4
159.11684	3.4
161.09666	3.4
163.07626	2.2
163.11209	3.8
165.09125	1.6
165.12802	2.3
171.11633	1.7
173.13394	1.4
175.07561	3.4
175.11143	6.8
181.10129	1.7
183.08124	1.2
184.07352	3.5
185.13322	1.4
187.11200	1.4
189.11185	2.6
193.05019	2.2
193.12224	13.1
195.11696	1.8
195.13803	1.9
205.10382	1.3
205.12260	1.3
211.13237	1.5
214.00987	1.2
219.13814	2.4
223.13290	10.8
227.12854	7.4
229.14262	2.0
239.18053	1.2
249.14870	3.1
253.14291	7.5
255.17598	1.9
259.20520	2.2
267.15921	65.4
273.18594	7.3
275.19955	2.3
283.15408	2.6
283.70590	1.3
291.19543	46.8
313.21643	1.9
333.24207	1.7
347.22250	2.5
365.23209	33.8
385.23474	1.4
419.24017	1.8
445.25916	5.3
459.27310	5.8
463.26913	2.2
477.28345	4.1
539.33630	9.0
557.34760	100.0
558.35016	4.7
575.35938	3.7
589.37054	1.5
642.43457	2.1
804.48547	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	804.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66711	0.9
57.03427	1.9
61.02935	1.2
64.23623	0.9
65.03928	1.5
67.05512	1.7
68.99791	2.1
69.03432	16.0
69.07069	1.0
71.01333	0.9
71.04999	3.3
71.59339	1.3
72.00817	0.8
73.02923	1.8
78.04705	1.2
79.05492	6.4
81.03417	16.6
81.03857	1.4
81.07066	1.2
83.05003	2.3
84.04491	0.9
85.02910	23.8
86.09713	1.3
87.00842	8.5
91.05473	17.1
91.94865	1.0
93.07064	3.2
94.04205	1.9
94.42939	0.8
95.04986	3.5
97.02901	10.1
97.06557	2.0
99.04464	4.5
103.03973	0.9
103.05476	15.3
105.01877	4.9
105.03448	1.4
105.07043	10.4
107.04958	12.9
109.02871	9.8
109.06557	1.3
111.04439	1.7
115.03939	0.9
115.05431	5.2
117.07028	7.6
118.87128	0.9
119.04955	9.5
119.08572	2.7
119.10602	0.9
120.05740	1.2
121.06498	7.0
121.10172	0.8
122.03654	5.6
123.04436	11.7
124.05225	1.9
125.05988	1.5
127.03926	15.7
128.06253	1.9
129.01939	1.9
129.06993	4.7
131.04930	47.6
131.08609	1.9
133.02858	7.5
133.06494	15.9
134.03738	1.1
135.04424	16.2
136.05229	2.7
137.05980	100.0
138.06360	2.0
138.09122	1.0
141.07079	1.4
143.04953	5.1
143.08597	1.3
145.02867	0.9
145.05003	4.2
145.06529	10.5
145.07498	1.2
147.04401	13.2
147.05505	1.0
147.08101	3.9
148.05121	1.3
149.02379	1.9
149.05997	10.1
151.03954	3.4
151.07559	10.0
152.07176	1.7
153.03508	0.8
153.05479	2.6
153.06998	2.9
154.08698	1.5
155.07111	1.3
155.08585	2.3
157.06467	6.5
158.07407	0.9
159.02873	4.4
159.08098	1.5
160.05251	0.9
161.05989	58.5
162.06677	1.9
163.03958	3.9
163.07553	36.8
164.04774	5.2
164.07019	10.4
165.05508	14.5
165.07037	2.6
165.07626	0.9
165.09106	11.3
166.06252	1.0
167.07054	48.1
168.07883	2.6
169.06546	2.3
170.07210	1.2
171.08116	3.7
173.06041	4.6
174.06833	3.3
175.03964	1.0
175.07603	6.7
176.04756	0.9
176.07140	1.3
177.05484	4.5
177.09138	7.7
178.06409	1.4
178.08713	2.6
179.07047	41.8
180.07813	51.7
181.05014	2.1
181.06573	3.9
181.08659	16.3
181.10083	1.2
183.08058	2.2
184.07399	2.0
185.06020	1.3
185.09750	1.0
187.07532	5.6
189.05542	1.6
189.09122	12.8
190.06366	1.4
191.06973	6.1
191.08597	0.9
192.07851	1.9
193.08597	15.6
195.06601	2.3
195.08144	4.0
197.06033	1.4
199.07634	3.3
201.09138	2.5
203.07050	1.9
203.10782	1.3
205.06711	1.5
205.08534	8.0
206.09503	3.0
207.06517	4.1
207.10170	13.2
209.08119	2.3
209.09773	2.2
211.07620	3.1
213.09190	3.8
215.07346	1.0
215.10736	4.5
217.08711	3.6
219.08205	2.0
219.10268	2.3
223.07550	4.4
227.07092	1.2
227.10776	3.6
231.05049	2.1
231.10191	11.4
232.11009	1.7
233.06000	1.3
233.08102	1.1
233.11794	4.6
235.09779	1.1
237.09058	4.9
239.07086	1.1
241.08640	1.2
243.10234	1.3
249.11403	1.9
250.14578	1.6
251.07204	3.2
255.10326	4.0
259.13449	1.4
265.08704	2.6
273.11310	2.0
282.08875	1.8
283.09692	9.6
287.05862	1.4
297.11206	4.1
300.09998	1.0
301.10925	1.7
313.10721	1.6
315.12271	35.8
323.12836	1.8
325.10825	2.2
327.12338	1.5
332.14923	96.4
333.15479	2.3
335.12976	1.2
337.14780	1.3
341.13773	1.1
349.14566	1.3
367.15399	7.7
368.16110	1.4
369.17026	7.7
385.16745	2.3
386.17307	1.5
387.17999	1.1
399.42358	1.2
402.19012	4.7
451.17917	1.1
471.17651	1.0
503.20761	5.0
518.20581	1.6
520.23468	1.9
521.21844	3.0
538.24371	11.1
539.23627	1.1
544.18329	1.5
556.25415	97.6
557.26025	4.5
561.20422	1.0
562.19299	2.5
580.20642	2.7
598.26270	4.8
646.26666	1.2
718.30688	0.9
742.30487	1.4
750.28326	1.3
760.31812	3.1
768.28729	4.4
786.30017	5.7
804.30792	34.6
805.32013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
61.02898	2.0
65.03931	1.4
68.99776	1.2
69.03431	11.3
71.04976	2.5
71.20630	1.3
72.04520	0.9
73.02905	2.1
77.03931	1.1
78.04715	0.9
79.05503	3.8
81.03420	11.8
81.07059	1.2
83.01321	0.8
85.02910	20.0
86.09646	0.6
87.00836	8.6
87.04491	0.9
89.03883	0.7
91.05481	13.3
93.07025	2.2
94.04173	2.5
95.04964	3.4
97.02891	8.1
97.06528	1.5
99.04459	4.8
103.05467	14.7
105.01857	4.0
105.03384	1.0
105.07039	9.4
106.04179	0.7
107.04952	13.3
109.02888	9.7
109.06504	1.9
115.05466	4.9
117.07037	5.3
119.04947	7.3
119.08614	1.7
121.06511	7.3
122.03675	5.8
123.04431	11.3
123.08038	0.7
124.05159	0.8
125.06034	1.2
127.03927	11.6
128.06209	2.0
129.01894	1.1
129.07045	5.1
131.04936	47.0
132.02074	1.6
132.05742	0.9
133.02870	4.8
133.06499	11.5
135.04419	12.7
135.08072	0.8
136.05202	1.7
137.05981	100.0
138.06413	0.8
140.31844	0.8
143.04941	3.6
143.08601	1.0
144.05733	1.2
145.02838	0.9
145.04988	3.1
145.06493	9.8
147.04416	11.3
147.08072	3.5
149.02394	1.0
149.06013	7.1
150.06712	0.8
151.03906	2.1
151.07556	7.1
152.07042	2.0
153.05530	1.5
153.06981	1.9
154.08640	0.9
155.08554	1.6
157.06528	5.7
159.02911	2.4
159.04356	0.8
159.08125	1.5
160.05211	1.7
161.05994	40.6
162.06688	2.1
163.03917	3.1
163.07555	35.9
164.04744	4.9
164.07036	8.3
165.05499	13.2
165.06929	1.7
165.09125	8.8
166.06335	1.2
167.07053	46.4
167.08484	1.9
168.07819	1.8
169.06506	1.5
170.07234	0.8
171.08073	3.1
173.05956	5.2
174.06746	2.6
175.03992	1.0
175.07565	7.1
177.05510	5.2
177.09119	9.5
178.08620	1.6
179.07048	28.4
179.08397	1.3
180.07819	31.9
181.05009	1.9
181.06432	3.8
181.08611	11.6
181.10141	1.7
183.08073	4.1
185.06007	1.0
185.09676	1.2
187.07552	4.7
188.08435	1.0
189.05475	1.8
189.09090	12.5
191.07033	7.9
191.08546	1.5
192.07852	1.2
193.08620	31.7
194.07317	2.3
195.06581	0.9
195.08112	3.9
197.06006	1.5
197.07928	0.9
197.09645	1.3
198.06888	1.3
199.07506	4.1
203.07066	2.4
203.10680	1.4
205.06752	1.3
205.08601	7.5
206.09367	1.4
207.06580	3.1
207.08252	1.0
207.10155	11.6
208.08768	0.9
209.07913	3.6
209.09686	3.1
211.07539	1.9
212.08337	1.1
213.09206	2.0
214.08423	0.7
215.07159	1.2
215.10687	8.5
217.08560	4.2
217.12250	1.0
218.09494	1.3
219.08273	1.5
219.10240	2.0
221.08014	0.8
222.06821	1.6
223.07567	4.1
223.09506	0.6
225.09175	1.0
227.06973	1.2
227.10760	3.1
229.08678	1.6
230.09399	1.1
231.04919	1.0
231.10162	6.9
232.11057	1.9
233.11760	6.9
235.09724	2.0
236.08382	1.9
237.05731	0.9
237.06813	1.0
237.09091	8.7
237.11295	0.8
239.07050	1.3
241.08560	0.7
249.11343	1.2
250.09216	0.7
251.07077	2.0
253.08571	1.3
254.09587	1.5
255.10225	4.9
258.08997	0.8
259.13361	1.3
265.08557	6.7
267.06714	0.8
268.07361	0.9
269.11859	0.8
270.08755	0.8
271.09711	1.5
272.10376	1.1
273.11307	0.9
275.10721	1.2
278.08804	1.3
282.08810	3.6
283.09778	5.5
285.11295	1.0
287.12805	1.7
297.11270	4.3
300.09909	2.3
301.10828	1.4
303.04944	1.4
313.10715	1.2
315.12277	28.6
321.11383	0.9
323.12842	0.9
325.11008	1.7
327.12265	1.2
330.13605	1.2
332.14926	68.4
333.15338	1.9
335.12610	1.2
337.14471	1.1
341.13467	0.7
342.13611	1.3
367.15546	4.4
368.16318	1.1
369.16995	15.8
374.16040	2.2
385.16537	2.2
386.17319	2.3
387.17859	3.6
402.19000	6.4
403.17908	1.4
404.18292	3.4
500.19196	0.9
503.20776	2.8
520.23340	1.7
521.21863	2.1
538.24469	12.1
539.22797	5.2
544.18164	1.8
556.25439	78.6
557.25946	2.1
562.19244	1.9
580.19958	3.8
598.26483	2.6
646.26117	1.2
718.30829	1.3
724.30151	1.0
742.30963	1.8
750.28278	1.2
760.32043	2.8
768.28363	4.0
786.29657	4.9
799.45819	0.8
804.30786	37.4
805.30725	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	31.2
57.07070	6.1
61.02938	17.0
65.03954	5.0
67.05510	97.1
69.03433	27.2
69.05356	2.2
69.06718	3.7
69.07068	47.3
71.01345	2.6
71.05008	14.2
71.58669	3.5
73.02918	11.0
79.05499	85.3
81.03417	30.3
81.07063	100.0
83.04990	20.1
83.08626	22.0
85.02907	27.1
85.06544	8.8
86.09754	3.3
87.04517	2.3
91.03938	7.4
91.05070	1.7
91.05482	73.1
93.07047	79.6
95.04980	23.3
95.08612	68.3
97.02891	27.9
97.06528	30.6
97.07067	3.1
97.10172	9.6
99.04459	5.8
99.08102	13.8
101.02392	4.5
103.05468	2.8
105.07041	66.2
107.04964	18.0
107.08601	47.4
108.22554	2.2
109.02859	7.5
109.06553	19.3
109.10152	29.3
111.04452	5.6
111.08074	14.7
113.06033	6.0
113.09747	2.1
115.05470	3.5
115.07594	8.1
117.07018	30.4
119.08588	43.9
121.06514	11.0
121.10149	25.0
123.04456	4.3
123.08093	15.0
123.11742	7.1
125.06018	3.0
125.09608	6.5
127.03896	7.3
127.07616	4.2
128.06235	7.0
129.05525	3.2
129.06998	23.8
130.07780	2.9
131.08582	44.3
132.08847	2.6
133.06509	5.1
133.10129	41.2
135.08052	16.2
135.11690	18.1
137.06050	4.6
137.09610	8.7
139.11168	2.8
141.06953	7.6
142.07866	3.0
143.08586	24.0
145.06493	4.8
145.10118	38.7
147.08075	9.2
147.11671	20.7
149.09621	19.3
149.13292	9.9
151.11217	3.2
153.09074	5.3
155.08577	17.5
157.06442	3.5
157.10141	21.3
159.08090	8.9
159.11702	28.1
161.09650	10.8
161.13303	11.0
163.11220	8.5
163.14862	3.7
165.07048	2.9
165.12743	2.7
167.08583	6.8
169.10136	21.1
171.08008	3.9
171.11670	16.7
173.04498	6.3
173.09639	8.9
173.11877	4.4
173.13200	16.0
175.11194	8.2
175.14961	3.5
177.12726	3.5
179.08543	4.4
179.14354	3.8
181.10114	10.5
183.08052	2.6
183.11728	18.0
184.07368	7.9
185.09705	5.7
185.13271	12.8
187.11234	4.8
187.14815	5.2
189.11226	4.8
189.16411	3.2
191.14348	2.9
193.10213	5.1
195.11710	8.7
195.13795	3.1
197.13298	6.9
199.11192	6.5
199.14885	8.7
201.12781	5.3
205.10118	3.2
207.11728	4.1
209.13374	11.6
209.15157	2.3
211.11197	4.1
211.14778	6.0
213.12738	3.8
213.16296	4.0
215.14427	4.1
217.15840	2.7
221.13295	6.0
223.14919	5.3
225.12836	3.1
227.12823	8.0
227.18082	3.6
229.14369	3.9
233.15398	2.9
235.14835	4.8
237.16467	4.3
239.14211	3.2
239.18011	4.0
241.19682	3.6
246.38896	2.6
249.12740	3.3
256.56927	2.4
257.19006	7.1
259.20593	9.4
261.22086	5.1
268.03320	2.4
269.17523	3.8
271.17142	3.0
273.18573	5.5
273.34253	2.5
275.20093	40.7
277.21863	2.8
283.20679	3.1
289.18207	3.3
291.19595	8.6
293.21344	5.8
297.22214	2.4
303.23370	3.0
325.21500	3.3
331.22458	3.8
333.24255	4.3
335.25815	22.7
337.21445	3.5
349.23798	21.6
355.26654	3.5
363.25638	3.8
365.24020	3.3
497.30960	3.0
513.36700	7.6
515.37610	2.9
527.37317	5.9
529.35638	4.5
531.38129	10.0
537.36230	5.1
539.37128	6.5
543.36658	9.4
546.28326	3.2
549.39240	12.2
551.37219	4.2
553.38568	5.7
565.38892	3.2
567.39996	10.3
605.42010	20.3
623.33386	5.3
623.43060	82.5
624.43695	5.3
639.41095	2.6
641.44025	73.5
642.44464	6.6
687.40674	3.3
689.41473	3.0
749.45850	4.9
767.47443	5.8
785.48718	13.7
803.49323	34.0
804.48505	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	803.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	26.2
57.07066	3.4
61.02934	5.0
65.03939	6.1
65.70289	0.9
67.05505	86.2
68.05817	1.0
69.03429	4.6
69.06714	1.6
69.07068	19.1
69.37290	4.4
69.37717	4.1
71.04999	5.5
73.02914	2.3
77.03876	1.2
79.05492	57.0
80.05802	1.1
81.03418	8.8
81.07057	60.1
83.04975	6.4
83.08626	8.1
85.02902	7.5
85.06545	17.2
91.03957	1.8
91.05481	65.4
93.07043	58.7
94.07352	1.4
95.01336	2.3
95.04970	68.1
95.08607	42.1
97.02895	4.5
97.06532	8.3
97.10149	4.6
98.21528	1.7
99.04441	1.3
99.08092	2.5
103.05477	3.0
105.07030	57.6
107.04957	15.7
107.08595	33.7
109.02853	0.9
109.06521	68.7
109.10148	14.2
109.76858	0.9
110.06858	1.1
111.08067	5.2
113.06010	46.1
114.06312	1.3
115.05466	3.9
116.06260	1.4
117.07021	32.0
117.07853	1.7
118.49684	0.9
119.04956	1.3
119.08577	39.3
121.06512	7.1
121.10144	16.6
123.04431	1.6
123.08076	9.9
123.11703	2.6
125.09647	2.5
127.07590	1.0
128.06198	4.7
129.05513	1.4
129.07008	17.2
130.07788	2.2
131.04938	1.2
131.08569	41.8
133.06516	5.7
133.10124	32.4
135.08057	49.7
135.11685	19.1
137.05983	1.3
137.09624	3.4
139.11105	1.1
141.06973	6.8
142.07791	3.3
143.08568	18.0
144.09286	1.2
145.06511	4.4
145.10132	30.6
147.08018	8.0
147.11693	18.2
149.09616	7.9
149.13255	8.4
151.11183	1.5
153.06912	1.2
155.08549	5.1
156.09402	1.7
157.06435	1.1
157.10147	14.2
159.08049	7.9
159.11699	24.2
161.09615	9.9
161.13260	13.4
163.11154	5.8
163.14832	1.9
165.09146	2.1
167.08578	2.7
169.10110	9.3
171.11667	12.6
173.09641	2.4
173.11797	1.3
173.13255	12.5
175.11198	2.7
175.14839	7.1
177.12761	7.1
179.14336	2.0
181.10107	3.5
183.11659	6.7
184.07407	1.3
185.09563	1.3
185.13263	6.9
187.11166	6.5
187.14793	5.8
187.47620	0.9
189.12755	1.8
189.16428	1.3
193.10054	1.5
195.11703	5.0
195.13686	2.4
197.13333	4.8
199.11252	2.1
199.14786	7.7
201.12730	2.9
201.16347	1.9
203.14366	1.2
205.10046	0.9
205.12248	1.1
207.11743	1.5
209.13286	2.5
211.14844	2.7
213.16380	2.4
215.17932	1.3
217.15900	13.1
219.13908	1.5
221.13264	2.4
221.15375	1.8
223.14902	2.3
227.18016	2.6
229.19559	1.1
231.17429	1.3
231.21005	2.0
235.14842	1.3
237.16373	2.1
239.17918	1.9
241.14352	3.7
241.19508	12.9
244.45874	1.0
245.18965	3.0
246.28047	0.9
255.17403	3.3
257.19006	3.9
259.20584	16.9
271.20575	1.3
273.18497	29.0
275.20120	2.9
279.15878	18.0
290.43939	1.0
291.19540	71.8
292.19910	2.3
297.16763	1.5
297.22232	1.1
309.20526	1.8
311.19824	1.2
311.23444	1.2
315.23257	6.7
325.25204	1.3
327.23337	1.1
327.26852	4.3
331.23126	1.0
333.24255	40.3
334.24603	1.6
335.25842	1.1
347.22214	8.1
350.82916	1.1
353.24902	1.1
365.23245	17.2
366.23340	1.5
375.77505	1.0
501.36066	1.1
503.38770	1.2
513.36646	3.9
531.38348	4.0
541.35156	1.4
543.36743	2.2
549.39417	3.1
551.37909	1.6
565.38684	3.2
567.40277	1.8
583.39484	1.7
587.40094	1.2
595.42896	1.4
605.42102	14.2
606.42670	2.0
623.43042	100.0
624.43457	10.2
641.44141	28.5
642.44788	2.2
785.47852	1.5
803.49091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.1
57.07072	7.3
59.05002	4.0
61.02914	9.2
65.03933	6.0
67.05170	5.2
67.05508	82.1
69.03427	21.6
69.07078	35.9
70.09528	6.8
70.09924	6.4
70.77836	3.0
71.04982	6.4
79.05495	69.5
79.50028	2.7
81.03421	39.8
81.07057	77.2
83.04967	16.7
83.08620	32.3
85.02898	16.4
85.06559	3.6
86.09685	4.9
87.04463	3.2
89.06026	5.7
91.05484	71.7
93.07044	67.1
95.04981	27.3
95.08611	46.7
97.02877	12.9
97.06521	12.7
97.10157	37.2
99.04463	4.1
103.05408	3.7
105.07035	62.9
107.04940	11.2
107.08603	42.7
109.06537	8.2
109.10168	25.0
110.52148	2.9
111.04417	7.1
111.08088	7.6
115.05455	5.0
117.07010	31.6
119.08581	53.5
121.06506	10.2
121.10137	28.4
123.08073	10.8
123.11694	7.0
125.09624	39.5
127.03923	5.7
128.06198	7.3
129.07004	25.8
131.08591	48.3
133.06456	4.9
133.08597	4.1
133.10141	35.9
135.08054	12.7
135.11713	15.3
137.09613	7.6
141.06978	11.2
142.07770	6.8
143.08578	22.4
145.06541	5.4
145.10127	38.8
147.08049	10.1
147.11679	27.0
149.09589	7.0
149.13277	8.5
153.09081	7.6
155.08566	17.8
157.10164	21.2
159.08034	5.2
159.11679	27.7
161.09668	8.4
161.13226	21.0
163.07515	3.5
163.11179	6.2
163.14761	4.8
165.09026	4.7
167.08580	12.1
169.10109	14.4
171.11725	18.0
173.13287	21.1
175.11241	9.3
175.14832	9.5
177.12776	3.9
181.10114	11.0
183.11703	13.5
184.07339	11.3
185.09612	5.4
185.13264	16.5
187.14847	4.8
189.11229	20.0
189.12773	5.6
193.10402	3.4
193.12291	10.0
195.11690	9.4
197.13263	10.9
199.11189	5.1
199.14909	9.6
209.13275	8.7
211.13228	8.1
211.14972	6.1
213.16434	4.0
223.13155	7.2
223.14914	7.3
227.12721	32.0
229.18915	3.0
241.19504	16.0
249.14886	4.0
251.17957	4.1
257.18893	5.7
259.20535	19.8
267.15918	9.4
271.20526	5.5
273.18463	17.6
275.20102	4.9
283.20743	5.3
285.17007	4.0
289.18008	3.6
291.19534	54.1
297.22092	4.4
299.23615	4.5
301.21628	7.1
313.21661	3.7
333.24353	18.8
335.25809	6.4
337.21228	3.8
353.24677	3.2
363.26788	4.2
365.23315	21.7
367.22485	5.1
379.29721	6.4
451.32349	3.7
463.31070	4.0
471.36490	3.7
513.37219	4.1
525.35938	15.6
529.35187	7.7
531.37860	6.7
541.34827	4.5
543.36804	30.3
549.39130	7.5
555.36566	4.9
605.33063	3.8
605.41876	24.4
623.42950	100.0
633.37964	3.2
641.44153	39.9
642.44598	4.0
749.45996	7.1
785.47705	8.4
803.48956	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	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99242	1.6
57.03440	2.1
61.02924	10.6
61.87399	1.8
62.92050	1.6
67.05508	11.6
69.03432	5.7
71.58059	2.4
73.02911	8.1
79.05500	6.5
81.07067	9.1
83.21430	1.7
85.02911	10.4
89.01711	1.7
91.03975	5.7
91.05492	3.1
93.07056	7.8
95.08606	9.2
97.02884	10.9
101.02393	2.9
107.08595	2.7
109.02856	1.7
109.10165	2.4
121.10150	4.3
127.03934	4.4
139.20470	1.7
145.10159	1.7
156.63513	1.9
184.07378	2.3
203.05455	1.9
243.08502	4.3
271.39313	1.7
335.25864	2.5
426.50482	1.7
519.29443	13.9
719.09729	2.0
797.51764	100.0
798.51947	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	798.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.9
57.03424	0.3
58.06572	1.6
59.07387	0.5
60.08162	17.9
61.02925	0.4
67.05502	1.3
69.03436	1.2
69.07074	0.6
70.06583	0.5
70.19685	0.4
70.20040	0.9
71.04989	0.4
71.06973	0.4
71.07372	7.1
72.08121	0.3
73.02901	0.3
79.05486	1.2
81.03403	1.5
81.07061	1.6
83.04985	0.5
83.08617	1.0
85.02917	1.5
85.03351	0.2
86.09702	55.3
87.10027	0.5
89.03936	0.3
89.82287	0.2
91.05486	1.2
93.07035	1.0
94.06538	0.2
95.04958	0.4
95.08601	0.5
96.08070	0.2
97.02884	0.7
97.06521	0.7
97.10157	1.1
98.98462	4.1
99.04446	0.4
104.10740	100.0
105.07015	1.2
105.10480	0.3
105.11042	1.0
107.04916	0.5
107.08596	1.3
109.02876	1.2
109.06532	0.7
109.10157	1.1
111.04430	0.2
117.06993	0.3
119.04916	0.4
119.08594	0.4
121.06487	0.2
121.10157	0.5
122.06022	0.3
123.04414	0.3
123.08113	0.2
123.11713	0.5
125.00000	27.4
125.09635	1.4
127.03909	1.1
131.08565	0.5
133.10135	0.7
135.04451	0.4
135.08072	0.6
136.07535	0.2
137.05956	1.1
143.01074	0.5
145.02882	0.4
145.10075	0.3
147.04425	1.1
149.05962	0.3
149.13257	0.2
151.03987	0.3
151.94511	0.2
152.07040	0.2
153.09059	0.4
159.11639	0.2
159.66257	0.2
161.06015	0.3
163.01694	0.2
163.03897	0.4
163.11150	0.3
164.07024	0.5
165.09169	0.2
166.08672	0.3
173.09639	0.3
173.13257	0.4
177.05508	0.7
180.06480	0.3
181.02618	0.3
181.05019	0.2
184.07333	96.4
185.07707	1.0
187.06000	0.2
189.11157	1.0
189.66936	0.2
209.15343	0.3
217.12160	0.2
227.12837	1.1
258.11047	0.8
258.13873	0.2
291.14502	0.2
386.54300	0.2
421.22308	0.3
428.20294	0.4
470.21448	1.1
536.22546	6.3
537.22577	0.4
554.23468	2.2
572.24658	12.2
573.25208	0.7
590.25690	20.9
591.26160	1.2
614.21710	0.3
650.23181	0.2
762.38190	0.6
780.39270	4.0
798.40308	23.2
799.40356	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
58.06595	0.3
60.07882	0.5
60.08162	7.5
70.06586	0.4
70.76221	0.7
71.07373	3.8
79.64558	0.3
86.09704	36.4
91.05503	0.3
95.08646	0.4
98.98461	3.2
104.10751	2.5
125.00000	23.9
131.11401	0.3
143.01033	0.5
166.02682	0.5
174.63013	0.3
178.56517	0.3
184.07332	100.0
185.07585	1.0
239.07918	0.3
368.76224	0.3
381.85800	0.3
659.33875	0.4
678.21088	0.4
746.33752	0.4
794.53387	5.2
795.51276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.3
58.06596	0.4
60.07882	0.3
60.08165	4.7
62.34395	0.2
69.27666	1.3
69.28082	0.7
71.07378	2.4
86.09705	21.7
91.05466	0.2
98.98460	2.1
104.10735	1.4
125.00004	13.6
142.33430	0.2
143.01003	0.2
143.53207	0.2
166.02754	0.2
184.07341	100.0
185.07700	0.7
345.76907	0.2
540.93188	0.2
776.52374	6.5
777.52222	0.4
786.06525	0.2
794.50983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	12.5
59.71805	1.2
61.02925	57.8
65.03936	3.2
67.05502	20.9
69.03432	24.3
69.07059	5.8
70.06580	2.3
71.04987	10.3
71.59282	1.8
73.02913	17.6
73.37631	1.3
75.27883	1.2
79.05499	27.0
81.03416	37.2
81.07057	21.7
83.04977	10.4
83.08619	10.9
84.04517	1.5
85.02901	68.1
85.06568	3.8
86.03290	1.2
87.04485	1.8
91.03951	37.9
91.05476	36.7
93.07040	27.6
95.04964	13.7
95.08608	12.7
97.02890	47.2
97.03507	2.4
97.06521	10.0
97.10184	4.4
99.04449	5.9
99.08093	1.6
101.02395	3.3
103.03951	1.9
103.05463	2.8
105.07035	23.3
105.52153	1.1
107.04949	9.2
107.08590	19.2
109.02878	7.6
109.06508	5.9
109.10144	7.8
111.04488	2.8
111.08065	5.9
113.06017	1.3
115.03967	3.8
115.05485	3.6
117.06994	6.6
119.04929	9.2
119.08584	13.9
121.06528	6.9
121.10133	19.0
121.10888	1.6
122.06052	1.3
123.04409	12.9
123.08091	3.9
125.09655	4.2
127.03910	18.4
128.06288	1.9
129.05521	1.6
129.06995	9.8
131.04970	3.8
131.08557	16.3
133.06479	11.8
133.10123	15.7
135.04407	14.0
135.08086	4.2
135.11749	2.2
137.05977	79.5
137.09604	1.8
139.03880	1.3
139.11174	2.7
141.07045	1.9
142.07883	1.6
143.08565	3.1
144.05676	1.3
145.02840	1.4
145.04941	8.2
145.06467	11.5
145.10178	2.5
147.04419	21.8
147.08032	9.0
147.11693	14.1
149.05959	11.6
149.09621	23.1
149.13287	1.7
151.03990	1.4
151.07571	3.4
151.11220	2.3
152.07095	2.5
153.07045	1.9
154.08676	2.1
155.08643	2.9
156.06532	1.2
157.06511	6.9
157.10069	10.4
159.08052	9.0
159.11720	2.7
161.05975	41.6
161.09631	2.7
162.05533	1.7
163.03949	2.2
163.06181	2.8
163.07605	8.7
163.11165	2.7
164.07124	4.9
165.05508	3.0
165.12825	3.4
167.10672	1.4
169.06558	1.3
171.08067	7.1
173.05992	20.7
173.09712	4.1
175.07553	20.9
175.11159	15.0
176.07066	1.5
177.05522	5.1
177.09175	3.0
177.12843	2.1
179.07071	2.3
181.06523	2.6
183.08139	5.1
185.05998	2.9
185.09679	3.8
187.07547	28.3
187.09099	1.7
187.11191	2.2
188.08377	1.5
189.05554	2.0
189.09113	12.6
191.07101	4.8
193.08620	2.5
193.12260	22.2
193.13846	2.0
195.08179	2.2
195.13852	1.9
197.09659	4.2
199.07550	14.2
199.11310	1.3
201.09113	10.5
203.07114	3.9
203.10710	2.0
205.08759	1.8
209.09721	1.7
211.11375	2.0
211.13286	13.7
213.09114	6.1
215.07010	1.9
215.10768	4.9
217.08653	2.7
219.31383	1.2
223.11255	1.8
224.54889	1.4
225.09137	3.0
225.12730	1.5
227.10748	1.9
237.09282	1.2
238.15421	1.5
239.14311	2.2
241.14529	2.2
248.12885	2.3
248.51958	1.4
257.15341	10.9
265.15903	1.7
267.13770	3.6
267.16086	13.2
269.17667	2.8
283.17084	4.2
285.14844	33.4
285.17831	1.8
287.05618	3.5
289.14731	2.0
293.15417	2.4
301.18207	2.7
302.17419	9.1
303.15924	22.8
311.16434	15.9
314.17462	1.9
323.16574	2.8
328.19379	2.0
329.17514	21.7
330.17868	1.2
332.18600	1.4
341.17651	5.2
346.20367	4.7
347.18799	5.5
358.20313	2.7
359.18384	7.0
361.02240	1.3
367.18790	2.0
376.21167	7.6
377.19818	5.1
385.20334	4.0
388.21326	1.4
394.22650	4.4
402.22900	2.1
403.21143	45.0
404.21280	2.2
420.23770	26.7
420.28925	2.2
421.22794	2.5
434.25375	3.4
438.24857	53.3
439.25684	2.3
448.23050	2.2
452.26367	19.4
457.68478	1.5
462.24969	2.7
470.27786	8.3
480.26004	1.9
516.26031	4.3
528.25995	2.2
546.27002	6.1
564.28021	15.3
565.27161	1.6
582.29083	98.1
583.29865	3.8
596.31256	2.1
600.30133	61.4
601.30408	3.2
614.31720	25.0
615.32513	2.4
632.32629	17.3
676.73816	1.3
690.31671	2.7
708.32416	7.8
726.33533	7.6
744.34332	100.0
745.34338	6.4
762.35339	69.6
763.35913	3.1
776.36945	30.8
777.37848	2.0
794.38129	49.0
795.38727	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	794.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	0.9
61.02920	1.0
65.03940	0.8
67.05495	4.1
69.03431	1.6
69.07059	1.7
69.48677	6.0
70.12982	0.6
71.07372	0.7
78.04710	1.2
79.05503	5.8
81.03419	2.9
81.07056	2.2
85.02889	1.6
86.09705	7.8
91.03929	0.9
91.05481	10.2
93.07041	4.0
94.04176	1.8
95.04986	4.1
95.08616	1.7
96.16026	0.6
97.02898	1.0
97.06513	1.3
98.98443	1.2
103.05460	10.5
104.10719	0.9
105.06316	0.7
105.07027	17.5
107.04954	64.3
107.08587	0.8
108.05262	1.0
109.02869	0.8
109.06512	1.8
109.10167	1.9
115.05458	8.9
117.07011	11.0
118.04153	1.9
119.04914	2.7
119.08614	3.4
119.46798	0.6
120.08105	0.9
121.06521	5.5
121.10186	0.8
122.03626	2.3
122.06006	0.7
123.04412	3.6
123.08054	1.0
124.05192	1.6
124.99982	5.4
128.06198	1.1
129.06985	2.1
130.04170	1.1
131.04922	18.0
131.08568	1.4
132.05664	1.3
133.02858	1.4
133.06493	32.3
133.10085	0.8
135.04398	4.0
135.08028	1.2
135.11565	0.6
136.05200	1.0
137.05975	49.6
138.06360	1.1
141.07004	1.6
143.04955	1.0
143.06021	1.2
143.08607	0.7
144.05713	2.0
145.06483	14.8
145.07625	0.8
146.07356	0.8
147.04382	2.0
147.08051	7.2
148.05180	1.4
149.05981	7.8
149.09634	1.1
151.03824	1.0
151.07536	2.7
152.04698	1.7
153.05495	1.4
153.06920	1.1
155.05978	2.2
155.08574	2.0
157.06450	4.2
157.10088	0.8
159.08069	1.9
160.05199	1.3
161.05981	17.5
163.03905	12.7
163.07538	27.4
164.06482	0.7
165.05547	1.3
165.06981	1.0
165.09116	0.9
166.06285	1.6
167.07036	93.4
168.07358	1.4
169.06450	0.8
170.07286	0.7
171.08072	1.3
172.05202	1.5
173.06003	12.2
174.06763	1.5
175.03902	1.4
175.07527	6.4
176.04691	4.0
177.05484	3.2
177.09094	9.9
178.06299	1.1
179.07048	7.0
180.07721	0.9
181.06470	0.8
181.06950	1.0
181.08598	8.3
183.08061	3.0
184.07324	24.8
185.09595	6.7
187.07533	8.3
189.09096	3.2
190.06262	1.4
191.07034	32.4
191.10661	2.4
192.07753	0.9
193.08604	100.0
194.08972	1.8
195.06517	14.8
197.08131	1.1
199.07535	1.6
201.09068	2.1
203.07042	1.7
203.10687	2.6
205.08600	36.5
207.06548	6.5
207.10120	7.5
209.08095	3.2
213.09235	1.0
215.10675	7.2
217.08589	2.4
219.10223	1.8
225.07547	6.4
231.10143	4.0
233.11714	4.9
235.09639	10.4
249.11218	3.8
251.12975	0.8
253.10696	4.3
261.11362	1.0
263.12766	0.9
267.12271	1.7
285.11188	0.9
292.50735	0.7
305.11795	0.9
312.13373	0.7
323.12912	0.8
323.16440	2.2
335.12753	1.1
337.14423	6.5
339.15939	5.9
341.17484	2.0
355.15298	8.5
357.17148	1.0
363.15509	0.8
367.15527	4.0
369.17105	5.1
371.14886	8.3
385.16403	8.6
403.17313	0.9
435.27396	2.6
517.22119	1.2
661.23578	0.8
794.42334	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	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05266	1.4
55.05512	15.8
55.34374	0.7
57.03436	9.5
57.06546	0.7
57.07063	2.2
59.35387	0.7
61.02914	3.1
65.03933	1.6
67.05504	63.0
69.03417	1.2
69.06723	1.1
69.07067	15.7
70.70105	0.6
71.04986	1.9
71.08621	2.6
73.02886	0.7
79.05494	33.7
81.07055	65.8
83.04948	1.3
83.08617	7.9
85.02886	2.2
85.06529	2.2
91.03957	1.1
91.05476	21.5
93.07042	48.6
95.04953	4.0
95.08605	52.7
97.02885	1.4
97.06512	2.7
97.10178	3.7
99.08097	1.9
105.04506	1.0
105.07030	18.3
106.42245	0.6
107.07864	1.5
107.08595	28.9
109.06525	1.8
109.10152	25.7
109.10906	0.8
109.81626	0.7
111.08047	0.8
111.11710	0.8
117.07032	7.1
119.07799	1.0
119.08582	16.0
121.10143	24.8
121.11031	1.3
123.08071	1.2
123.11694	9.4
125.09645	1.4
129.07050	1.1
131.08563	12.0
133.10135	14.2
135.11690	15.4
137.09575	1.5
137.13251	2.7
139.11230	0.9
143.08534	1.8
145.10129	12.0
147.11681	13.0
149.13251	9.8
151.11188	0.8
151.14828	0.8
157.10132	2.0
158.44936	0.7
159.11694	9.5
161.13254	9.1
163.14851	4.4
171.11684	2.0
173.13271	8.3
175.14729	3.6
177.12628	0.9
177.16339	2.1
181.16006	0.7
184.07274	1.0
185.13235	2.3
187.14807	4.2
189.16368	1.6
197.13200	1.1
199.14827	2.0
201.16383	2.1
231.21112	1.1
241.19701	3.7
243.21132	5.7
245.22609	1.1
255.98775	0.8
259.20517	7.9
261.22156	19.2
263.23804	2.1
273.22189	0.7
279.23181	0.8
313.25406	0.8
315.23187	0.8
317.24728	2.9
327.26697	0.8
333.24216	5.9
335.25787	100.0
336.26260	1.8
337.27423	10.5
351.25204	1.1
369.60345	0.8
413.30157	0.9
430.55502	0.8
521.43402	2.2
543.39899	1.0
585.68958	0.9
595.47247	16.7
613.48285	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	790.559
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	6.8
63.19273	0.9
71.07390	1.2
71.30688	1.1
86.09710	36.4
87.10023	1.3
98.98465	2.7
104.10742	3.2
125.00012	20.7
169.03328	1.0
184.07352	100.0
371.57269	1.1
558.87701	1.3
685.24823	1.1
690.46210	1.8
790.55188	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	791.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.4
55.05492	10.8
67.05508	20.1
69.03416	12.2
69.07066	8.9
79.05499	19.7
80.05006	4.7
81.03419	22.7
81.07055	21.2
83.04982	4.9
85.02921	6.6
91.05472	13.8
93.07052	19.8
94.06550	6.6
94.33496	4.5
95.04993	7.4
95.08620	13.8
96.02071	4.4
105.07034	11.6
107.04927	7.2
107.07339	14.2
107.08567	9.9
108.08138	21.6
108.08816	6.4
110.09690	6.7
111.04453	6.9
117.07040	8.0
119.08610	13.0
120.08125	8.7
121.10153	8.5
122.06057	22.7
122.09673	31.6
124.88905	5.2
127.03883	5.5
131.08537	9.4
133.06451	4.3
134.06021	6.3
136.07607	10.5
137.05978	20.5
138.09180	9.3
144.60593	4.6
145.10126	7.8
147.11780	6.4
148.07561	8.9
149.09805	5.5
150.09149	100.0
155.08597	5.2
160.03955	7.8
163.07529	6.9
164.07033	5.6
164.75578	4.7
166.08650	18.4
167.07025	7.6
171.04472	4.3
184.07391	12.3
199.08542	5.9
222.11688	6.5
223.08653	5.1
225.10307	29.2
226.10840	8.0
227.11671	8.6
237.10246	19.3
238.11017	17.0
239.08295	10.0
239.11771	39.9
240.12529	9.9
241.09682	4.9
249.10159	10.3
250.11115	10.0
251.08235	6.0
251.09073	6.3
251.11778	63.7
252.12457	16.2
253.09731	9.0
253.13326	28.4
254.10332	13.1
263.11758	32.2
264.12549	12.4
265.09814	23.4
265.13373	53.6
266.10406	8.3
267.11255	13.0
277.09598	5.2
278.10553	10.6
279.11227	32.5
281.12823	37.8
283.10736	17.1
285.12262	18.8
291.11255	10.3
293.12711	29.4
294.13098	4.8
295.14282	7.6
297.12357	16.5
298.13174	5.1
299.13852	12.2
301.16360	5.9
307.10611	6.2
309.12280	43.6
309.20428	5.1
311.13931	41.1
312.14420	6.1
313.15393	8.7
319.10721	6.5
321.12326	15.1
327.13467	30.9
337.11893	8.2
339.13354	13.5
341.15009	30.6
351.13440	9.5
353.14941	16.8
369.14307	29.7
371.16061	23.8
372.17075	5.7
401.17249	5.6
407.15814	5.1
411.15475	18.2
413.17123	16.8
416.19504	9.0
425.17175	7.0
429.16254	6.1
432.19058	8.7
435.15939	7.1
443.18097	5.3
453.16699	20.4
455.17987	8.8
460.18347	14.2
465.16061	8.8
471.17477	24.9
472.17252	5.5
473.19055	14.2
474.20111	12.9
476.22305	6.7
480.21149	10.3
483.17264	5.6
490.23572	6.8
492.21274	23.6
497.19458	6.6
513.18585	18.4
515.20105	21.1
522.22168	12.0
531.19702	18.4
533.21112	13.2
534.22241	17.2
558.34711	7.9
562.21710	7.9
574.21637	9.2
576.36017	6.8
586.21918	18.2
588.23401	11.1
592.22754	9.7
594.24219	31.9
595.25397	6.8
597.27112	9.8
600.23187	11.3
602.25043	9.3
604.22626	14.3
606.24268	25.1
618.24695	36.5
624.25415	38.2
636.25525	76.4
637.25726	10.3
654.26459	25.6
659.27350	5.6
677.29498	7.6
709.32086	45.5
723.29797	6.9
727.32770	14.2
737.31274	5.8
755.32690	9.4
773.33374	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	791.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.0
55.05516	4.6
55.84330	2.4
56.86436	2.6
57.03434	5.3
59.47054	2.1
61.02919	3.1
65.03931	2.6
67.05502	17.5
67.43406	2.4
69.03433	5.6
69.07062	3.3
71.13897	2.5
71.58969	3.9
71.59345	2.3
75.48668	2.3
79.05516	11.7
81.03427	11.4
81.07055	17.3
83.04990	3.2
83.08637	2.2
85.02898	9.8
86.09689	4.8
87.46244	2.0
91.05477	11.7
93.07031	11.4
94.06568	9.1
95.04972	9.3
95.08614	8.5
96.08148	2.4
97.02892	4.7
97.06532	5.7
97.10158	3.5
98.97581	3.7
103.96658	2.1
105.07045	9.0
106.06570	4.3
107.04961	7.7
107.07349	14.6
107.08588	9.8
108.04462	4.2
108.08134	19.6
109.02906	7.1
109.06534	3.9
109.10162	5.7
110.09672	3.9
110.95902	2.6
111.08080	2.9
116.98671	3.3
117.07015	5.8
119.04915	2.6
119.08562	5.3
120.08110	8.9
120.33591	2.3
121.06493	3.7
121.10150	4.7
122.06049	17.5
122.09671	29.1
127.03922	4.8
128.98473	2.4
129.07002	3.7
130.33119	2.4
131.08540	4.2
133.10083	2.4
134.05988	4.8
134.99557	2.4
135.06837	3.7
135.11717	6.4
136.07590	10.1
137.05952	12.3
138.09135	8.6
145.10168	5.3
146.05994	4.1
146.99663	4.5
148.07579	7.1
149.01189	3.5
150.09149	100.0
152.07097	4.0
158.99695	2.6
159.11696	2.4
160.03957	5.7
162.05580	2.4
163.07623	3.3
163.11180	4.6
164.07115	5.4
166.08649	9.7
167.02255	3.6
167.07040	6.4
168.07446	2.2
172.04018	3.6
177.00734	5.0
177.05495	7.0
184.07381	11.4
189.00797	3.6
193.80817	2.6
199.08604	2.3
200.10757	2.6
204.06509	4.6
211.08705	4.5
212.09258	2.9
213.10403	5.1
222.11481	3.5
223.08731	7.4
223.12289	4.6
224.13120	3.0
225.10236	28.1
225.13834	3.3
226.10889	11.5
227.11845	4.8
228.13210	3.9
229.14455	3.4
235.08664	4.4
236.09373	7.2
237.10280	15.3
237.13948	5.1
238.10979	14.3
239.08055	6.3
239.11798	34.1
240.12495	7.7
241.13358	6.3
244.09671	4.6
248.09361	4.6
249.10107	10.8
249.88432	3.0
250.11053	16.2
251.08205	7.5
251.11826	55.1
252.08896	3.8
252.12491	11.8
253.09796	14.1
253.13336	22.8
254.10532	7.7
254.13879	2.9
263.11768	31.7
264.08859	3.2
264.12494	7.9
265.09808	14.4
265.13361	51.9
266.10507	8.9
266.14072	9.2
267.11304	19.7
267.14536	5.5
268.11993	2.7
269.12833	3.7
271.10574	3.9
277.09732	4.2
277.13086	3.3
278.10632	7.5
279.11288	26.2
280.11972	5.4
281.12827	36.8
283.10840	10.5
283.14819	3.1
284.11462	3.5
285.12372	14.8
291.11267	14.9
292.11957	6.4
293.05505	4.8
293.12805	35.8
294.13483	3.7
295.10922	3.2
295.14389	7.8
296.11505	6.0
296.14569	2.4
297.12296	10.7
298.13098	5.5
299.13867	15.3
309.12320	27.7
310.12906	11.8
311.10632	4.2
311.13885	35.3
312.14377	2.3
313.15536	5.0
319.11063	4.7
321.12177	10.9
325.83051	2.5
327.13495	12.1
337.11813	4.7
338.12579	2.8
339.13425	7.9
341.14944	24.1
344.17801	2.8
347.13492	2.8
351.13147	11.1
352.14233	3.0
353.15048	15.6
358.15414	3.7
359.16229	5.6
369.14481	22.8
370.14578	2.8
371.15973	18.4
372.16791	4.4
381.14462	4.8
383.15802	3.2
401.17203	2.7
407.15881	4.2
411.15482	15.8
412.16205	3.5
413.17218	13.9
414.17844	4.5
416.19635	5.3
425.16989	7.5
429.16519	5.3
432.18939	4.9
435.15329	7.8
437.17181	5.5
437.24875	3.3
440.15701	3.3
441.16727	8.2
442.17480	6.0
443.18292	8.1
453.16464	23.5
454.17059	3.7
455.10977	2.9
455.17938	7.3
460.18814	4.7
465.16565	7.6
471.17633	22.4
473.19165	14.5
474.20340	16.6
478.28934	3.3
481.16061	3.2
483.17325	5.5
492.21249	6.4
495.17789	3.2
497.19244	3.5
499.17319	2.9
513.18524	10.6
515.20160	23.6
516.20575	4.2
522.22107	6.1
531.19751	9.1
533.21411	17.1
534.22357	20.0
556.20923	4.1
558.21838	4.0
558.34705	5.8
562.21881	4.4
568.20612	4.3
574.21826	7.0
576.36523	4.1
584.23901	3.6
586.21808	19.8
587.26929	3.1
588.23370	11.0
592.22748	8.0
594.24445	33.4
596.24939	3.2
600.23254	11.4
602.24628	8.5
604.22681	16.9
605.25903	3.0
606.24286	28.9
618.24487	31.3
619.24402	3.1
620.25140	4.8
622.23993	3.6
624.25513	36.8
625.25604	3.3
626.25885	2.7
636.25507	63.5
637.25421	3.7
638.25275	4.8
654.16840	2.6
654.26758	24.3
664.24493	6.6
677.28979	11.1
691.30292	4.1
695.31213	3.6
705.28424	6.9
709.32483	46.5
713.31201	2.8
723.29846	7.2
727.33124	15.2
731.31097	9.1
741.30017	5.1
755.32056	6.7
773.32996	5.2
791.22882	7.9
791.37054	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.3
55.05510	19.8
57.03431	11.1
57.07063	3.9
59.04994	3.7
61.02922	3.8
65.03934	2.3
67.05508	49.5
67.09332	2.1
69.03413	4.9
69.07059	10.5
71.04990	7.3
71.58345	3.5
77.45851	2.6
79.05494	45.4
80.73845	2.4
81.02969	4.4
81.03418	45.1
81.07053	49.2
83.04984	7.1
83.08615	19.0
85.02917	4.5
86.09705	3.2
91.05482	51.3
93.07040	48.1
95.04968	20.4
95.08608	26.5
97.02869	5.0
97.10157	9.0
99.08069	5.4
103.05482	3.4
105.07035	42.6
107.04943	8.8
107.08593	22.3
109.06516	4.6
109.10172	18.1
111.08022	6.2
113.76017	2.8
115.05479	4.1
117.07031	19.9
119.08589	37.8
121.06548	3.8
121.10133	22.3
123.08076	4.0
123.11704	4.7
125.00085	2.6
125.09606	8.8
129.07013	17.0
131.08563	25.9
133.10149	25.3
135.11687	10.9
141.06956	4.2
143.08551	11.5
145.10173	16.5
147.08060	4.2
147.11670	15.9
149.09624	4.4
149.13266	3.4
151.11179	2.8
155.08568	8.3
157.10115	15.5
159.11684	14.6
161.13220	7.1
163.11247	3.2
166.79173	2.6
167.08507	3.4
169.10126	7.1
171.11670	11.6
173.13216	6.8
183.11705	7.5
184.07385	13.6
185.13228	7.4
187.14787	6.4
189.11226	3.6
193.12265	9.2
197.13313	2.9
199.14740	4.5
209.13353	4.4
227.12782	8.6
259.20581	12.0
267.15894	13.7
268.67377	2.9
275.20212	3.5
299.23758	5.2
333.24231	8.7
355.09778	2.8
421.25769	5.9
433.30637	8.1
435.27563	6.4
451.31882	11.2
469.33160	4.4
503.33359	2.9
507.34879	5.9
517.35089	4.4
525.35773	52.5
526.36115	3.7
543.36823	100.0
544.37170	5.4
557.38159	9.4
575.39777	24.6
633.38000	3.1
790.42407	2.9
791.36737	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	790.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.8
55.05512	37.8
56.96544	3.1
57.03439	29.0
61.02919	7.8
61.86494	2.8
64.33833	2.9
65.03946	6.8
67.05504	92.9
69.03441	25.1
69.07070	55.6
71.04994	21.4
71.55953	4.8
73.02919	6.6
79.05495	87.0
81.03421	96.7
81.07059	100.0
83.04981	32.1
83.08624	40.0
85.02902	34.3
85.06532	6.6
86.09724	7.1
91.03983	3.0
91.05487	80.1
93.03485	3.4
93.07042	73.1
94.06583	9.6
95.04967	51.3
95.07375	4.8
95.08607	41.8
96.08144	9.6
97.02911	18.2
97.06535	90.0
97.10173	15.7
99.04470	7.1
99.08104	9.2
105.07032	56.4
107.04951	25.6
107.08602	36.6
108.08132	14.1
109.02894	7.2
109.06509	23.8
109.10159	19.1
110.09673	19.5
111.04449	11.4
111.08117	17.2
113.06026	3.7
115.05393	5.8
115.07602	18.8
116.79227	2.7
117.07013	22.7
119.08580	44.5
120.08099	14.4
121.06513	12.3
121.10141	24.1
122.06034	10.7
122.09660	6.1
123.04388	5.1
123.08038	18.7
123.11702	6.8
124.99969	4.4
125.09641	15.2
127.03938	14.0
127.07535	4.1
128.06221	3.8
129.06999	25.6
131.04913	4.8
131.08577	32.8
133.06511	8.8
133.10139	30.8
135.08064	12.3
135.11679	13.2
136.07570	8.8
137.05977	31.7
137.09560	6.8
138.06316	5.5
138.09134	22.0
139.09485	4.2
143.08560	8.0
145.06482	4.8
145.10103	16.1
147.08043	12.4
147.11688	20.4
148.07600	6.0
149.09610	10.0
149.13290	9.9
150.09167	12.9
151.11205	5.2
155.08522	5.7
157.10123	22.9
159.08087	4.8
159.11732	9.3
161.09622	7.1
161.13441	3.4
163.07556	7.3
163.11177	13.1
165.12746	5.4
166.08649	32.6
167.07039	7.6
167.08795	3.6
169.10217	4.8
171.11722	6.5
173.04456	7.7
173.13248	4.9
175.11203	19.0
177.05545	6.8
177.09076	3.9
177.12715	5.2
181.04886	5.0
181.12213	5.5
183.11697	3.7
184.07376	30.3
187.07527	2.8
187.14803	4.4
189.11188	3.5
189.12778	3.4
191.10645	3.6
193.08578	3.8
193.12253	47.4
203.14418	3.8
205.12195	3.8
211.13289	52.0
216.10263	3.0
217.15858	7.4
219.13773	4.1
223.08679	3.9
225.10307	9.4
226.10858	3.3
227.12633	10.1
228.12019	3.0
229.14287	3.8
237.10164	6.5
238.10887	8.4
239.11758	16.8
240.12341	6.4
245.18932	3.9
249.10161	7.2
249.14713	3.9
251.08302	4.6
251.11778	19.2
252.12222	9.1
253.09610	3.3
253.13338	6.3
254.10309	4.3
263.11798	11.4
265.09677	7.7
265.13437	17.2
266.10587	5.2
266.13788	6.7
267.11246	11.8
267.15930	37.8
269.17487	17.8
273.18512	35.2
275.20026	6.7
278.10513	5.1
279.11353	11.2
280.11795	7.5
281.12836	11.0
282.13409	5.6
283.15262	7.5
285.12268	8.0
285.16974	51.9
286.12769	4.4
291.11215	3.4
291.19562	32.6
293.12753	10.6
294.13379	4.4
297.12256	5.9
298.12790	3.8
299.13818	5.6
309.12231	10.7
310.12778	6.8
311.13812	14.3
312.14093	4.7
321.12274	3.4
327.13153	5.8
339.13306	4.0
341.14944	10.8
342.15411	9.8
347.22186	10.7
353.15018	7.1
357.14487	4.1
358.14993	4.9
365.23190	20.8
369.14624	6.0
370.15118	5.1
371.16190	5.5
383.24094	8.3
430.17075	5.0
437.09402	3.5
437.25217	4.5
443.17792	4.2
447.27844	5.1
453.16995	4.4
454.16989	6.2
456.18335	3.0
461.29007	13.2
465.28885	5.8
471.17773	3.2
472.18118	6.8
474.20401	5.0
477.28189	4.9
479.30066	20.8
513.18835	3.4
514.18915	5.6
515.20599	6.1
516.20886	6.8
535.22577	4.6
539.33667	12.8
557.34802	40.1
575.35773	33.5
593.36646	9.0
594.24298	8.3
595.24408	10.4
601.23438	3.8
607.24597	5.7
618.24426	5.7
619.24945	5.5
624.25372	7.5
625.25879	14.7
628.34814	5.5
636.26135	15.2
637.25873	19.6
644.51733	3.4
709.31573	5.3
722.29388	4.4
726.31885	7.0
727.33344	5.5
740.28943	3.5
791.23529	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	789.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	18.5
55.05516	35.9
57.03446	16.6
61.02917	14.6
65.03947	6.3
67.05508	88.6
69.03419	7.9
69.07069	26.5
70.71371	8.0
71.04998	6.4
73.02924	8.9
79.05496	65.5
81.03405	11.1
81.07064	78.7
83.04986	12.2
83.08629	18.4
85.02908	17.1
85.06540	4.3
86.09721	8.6
91.03955	3.2
91.05487	53.7
93.07047	59.1
93.20070	3.2
95.04970	12.5
95.08613	57.1
97.02893	11.3
97.06538	33.3
97.10167	17.0
105.07038	51.1
107.04969	14.6
107.08598	51.8
109.02881	5.4
109.06532	6.5
109.10163	30.5
111.08069	8.0
117.07025	15.5
119.08591	35.5
121.06503	7.1
121.10147	31.6
123.08048	4.7
123.11723	11.0
124.99963	7.0
125.09629	14.2
127.03930	4.5
129.05467	4.8
129.07018	7.5
131.08566	29.9
133.10138	27.2
135.08029	5.6
135.11708	16.5
137.09595	5.7
141.07021	4.1
143.08574	5.5
145.06477	3.4
145.10117	27.8
147.11708	22.4
149.09615	21.1
149.13258	9.6
151.11183	3.8
157.10091	10.9
159.11719	18.1
161.09657	6.2
161.13295	12.3
163.11171	10.5
163.17496	3.5
165.09074	4.0
169.10121	3.9
171.11678	5.7
173.13246	11.4
175.14821	4.1
177.12775	5.2
179.14330	4.2
184.07358	26.7
185.07747	5.8
185.13203	4.1
189.11252	7.6
189.12767	3.8
197.13274	4.4
227.12772	33.3
229.14423	12.2
257.19012	12.0
259.20532	5.6
261.22198	13.7
268.65012	3.2
275.20081	69.0
293.21191	5.7
317.24478	4.4
335.25830	100.0
349.23807	60.7
356.06924	4.3
431.31512	8.4
489.35828	9.7
505.35162	13.8
511.29095	3.9
513.39386	8.3
515.37103	4.7
609.36078	6.4
609.45178	78.8
610.45300	4.8
627.46210	37.6
789.53192	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	789.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
65.03944	0.4
66.04718	0.3
67.05503	0.9
69.35767	1.9
71.05000	0.3
78.04707	0.7
78.56276	0.2
79.05499	1.6
81.03414	0.4
81.07057	0.8
85.02882	0.3
91.05472	2.2
93.07040	0.7
94.04179	2.1
94.06560	0.5
95.04966	0.9
95.07349	0.6
96.08149	0.7
103.05460	3.5
105.03404	0.4
105.07040	2.5
106.04173	0.4
107.04947	3.7
108.08109	0.8
109.02887	0.2
109.06533	0.2
110.09673	1.5
115.05431	1.9
117.07018	2.8
118.04134	0.9
119.04942	0.5
119.08566	0.5
119.49118	0.2
120.08092	1.1
121.06512	0.6
122.03640	5.7
122.06046	0.6
122.09595	0.2
123.04424	1.6
124.05202	0.7
128.06181	0.3
129.06961	0.7
130.04202	0.5
131.04927	6.9
132.05681	0.3
133.02882	0.3
133.06483	2.7
134.03587	0.3
135.04376	0.9
135.05280	0.2
136.07599	0.6
137.05972	100.0
138.06300	2.0
138.09155	2.1
141.06903	0.2
143.04906	0.5
145.06477	4.3
147.04419	0.5
147.08011	1.5
148.05151	0.9
148.07594	0.4
149.05983	1.1
151.03926	0.5
151.07518	0.7
152.04694	0.6
153.05472	0.6
153.06914	0.2
155.06000	0.4
155.08618	0.5
157.06490	0.6
160.05186	0.4
161.05971	3.5
163.03905	3.3
163.07549	8.2
164.04581	0.5
164.07982	0.5
165.05536	0.2
165.06958	0.3
165.09120	0.6
166.06282	0.4
166.08633	2.9
167.07031	58.1
168.07333	1.2
173.05997	1.7
174.06723	0.3
175.07523	2.6
176.04710	1.2
177.05482	2.1
177.09102	6.0
179.07025	6.6
181.04945	1.3
181.06396	0.4
181.08571	0.4
182.05264	0.3
183.08058	0.7
184.07402	0.3
187.07404	1.0
189.09074	1.3
191.07021	10.4
191.10603	0.5
192.07692	0.4
193.08603	19.6
194.08965	0.5
195.06532	2.1
196.07228	1.0
197.07857	0.5
199.07460	0.6
201.09058	0.3
205.08585	2.8
206.09363	0.5
207.06567	0.6
207.10156	9.3
209.08093	4.8
209.09944	0.5
213.09111	0.6
214.09990	0.6
215.10605	1.7
217.08609	0.7
219.10130	0.5
220.90919	0.2
225.07626	0.3
225.10246	0.8
231.10135	2.0
232.10928	0.5
233.11736	0.5
235.09647	2.5
237.10185	0.4
238.10974	0.6
239.08159	0.3
239.11758	0.7
240.12448	0.3
249.09026	0.2
249.11284	2.5
250.11011	0.3
251.11783	1.2
252.12456	0.5
253.10625	0.3
253.13371	0.5
261.11243	0.4
263.11807	0.7
265.09689	0.5
265.13284	1.0
266.10550	0.2
266.13846	0.2
267.12329	3.4
279.11319	0.7
281.12750	0.8
283.10614	0.3
285.12057	0.3
291.11206	0.2
291.19238	0.3
293.12637	0.6
297.12482	0.3
299.13864	0.5
309.12143	0.9
311.13895	0.6
313.15393	0.2
315.11981	0.3
327.12817	0.4
335.12741	0.7
337.10675	0.2
339.12738	0.4
340.15070	0.2
341.14771	0.6
367.15448	3.4
369.16879	0.7
371.14447	1.2
371.18875	0.5
385.11627	0.3
385.16431	6.6
386.16574	1.2
387.17130	0.7
402.16556	0.8
403.17114	1.2
409.16895	0.2
425.17117	0.2
443.17618	0.4
453.16763	0.5
455.17554	0.3
471.17615	0.5
513.18250	0.3
515.20428	0.3
522.21790	0.3
539.28912	0.2
588.23059	0.3
594.24249	0.6
600.23340	0.3
604.22052	0.5
606.24097	0.4
618.24078	0.4
624.25726	1.1
636.25549	1.3
725.30878	0.7
753.31775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.2
56.05036	0.8
58.06364	0.2
58.06617	0.4
60.08164	6.2
67.05499	0.3
69.05417	0.2
71.03651	0.2
71.03986	0.4
71.07370	3.1
81.07060	0.3
86.09706	29.7
87.10049	0.4
95.08643	0.2
98.98459	2.6
104.10741	3.4
105.07004	0.2
107.08567	0.2
125.00005	18.9
143.01057	0.4
166.02657	0.4
184.07341	100.0
185.07607	1.4
232.18954	0.2
324.70630	0.2
496.34000	0.3
752.51892	0.7
770.40662	0.2
770.53375	3.8
771.52875	0.4
780.17157	0.2
788.54602	3.3
789.54340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
57.07092	0.2
58.06633	0.4
59.07398	0.1
60.08162	6.7
67.05512	0.1
71.07374	3.6
79.05499	0.1
81.07048	0.2
86.09702	34.0
87.10007	0.5
95.08623	0.2
98.21510	0.2
98.98468	2.9
104.10741	2.8
125.00001	21.3
125.17242	0.1
128.01910	0.1
143.01054	0.6
149.70314	0.1
152.98380	0.1
166.02675	0.4
184.07335	100.0
185.07724	1.0
225.54874	0.1
229.25987	0.1
234.62997	0.1
496.33862	0.3
690.47021	1.2
691.57825	0.1
770.53253	0.6
788.54327	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.9
57.03432	1.5
65.03944	2.1
67.05500	10.7
69.03419	5.5
70.65328	3.6
70.65728	3.1
71.31863	1.4
76.90515	1.3
79.05476	5.7
80.05014	5.2
81.03414	14.3
81.05796	1.8
81.07027	2.0
82.06585	3.6
83.04993	1.8
83.08580	1.5
85.02895	4.0
91.05460	8.5
93.05799	2.9
93.07041	20.6
94.06021	2.1
94.06571	30.0
95.04967	6.8
95.07346	18.9
95.08601	3.6
96.04511	1.4
96.08131	39.6
97.02885	5.2
97.06517	4.8
97.07140	1.2
99.04472	2.1
103.05461	6.2
105.06969	1.7
106.06551	3.1
107.07326	4.0
108.04485	12.3
108.08118	55.6
109.02876	20.1
109.06499	1.5
109.08907	3.0
110.09674	66.9
111.04418	1.8
118.06547	2.5
120.04456	4.9
120.08100	53.9
122.06030	31.5
122.09692	9.0
124.07559	4.8
127.03909	5.9
132.04413	2.9
132.08054	3.4
134.05992	7.8
136.07574	35.3
137.05949	5.6
138.09134	93.5
143.08551	2.0
144.08139	2.3
146.05980	5.2
146.09642	3.5
148.07553	22.2
150.09174	9.9
152.07063	6.7
160.03951	22.5
160.07591	2.7
162.05521	3.2
164.07079	8.0
166.08635	89.9
167.07162	1.7
167.08968	2.2
168.10172	2.0
170.09616	1.4
172.03940	6.7
174.05554	4.1
174.09113	4.7
176.07068	2.0
177.05426	2.3
178.05014	4.8
178.08620	4.3
180.10110	2.0
184.07494	2.1
187.08670	1.5
190.04967	2.9
192.06580	3.1
194.08189	1.9
197.10672	2.9
198.09192	3.5
198.11469	1.6
199.08583	8.1
200.10648	2.3
202.08694	2.4
204.06604	6.4
204.10179	1.4
206.08138	1.7
208.09720	3.0
209.10742	2.7
210.11487	4.1
211.08664	10.5
211.12218	8.6
212.09473	6.3
212.12813	2.1
213.06677	2.5
213.10185	14.0
214.08652	3.4
214.10742	1.9
214.17938	1.5
215.11929	1.6
216.10214	6.3
221.10779	2.9
222.11444	4.1
223.08676	15.3
223.12093	7.0
224.09431	5.1
224.12975	3.6
225.06815	2.3
225.10211	57.0
225.13522	7.2
226.10973	23.4
227.08176	2.2
227.11763	17.8
229.13312	2.0
234.11435	2.2
235.08595	8.4
235.12248	7.2
236.09323	9.2
236.12950	1.9
237.10211	30.7
237.13834	9.4
238.10931	22.8
238.14554	2.5
239.08171	20.5
239.11772	72.2
240.12549	17.8
241.09682	3.7
241.13298	8.3
244.09679	6.5
246.11299	4.8
248.09161	6.9
249.10208	23.0
250.10957	25.1
251.08157	14.7
251.11780	84.0
252.08723	8.2
252.12567	18.8
253.09712	38.4
253.13350	54.4
254.10463	23.6
254.13960	5.9
255.11208	5.8
257.09338	1.8
257.12570	1.4
260.09344	2.4
261.10281	2.4
262.10977	4.0
263.08740	1.5
263.11786	44.6
264.09033	3.3
264.12469	12.0
265.09756	31.0
265.13339	75.9
266.10486	18.1
266.14008	10.1
267.11292	44.9
267.14798	5.3
268.11929	9.1
269.12820	7.0
270.09875	2.1
271.10718	6.5
274.10898	2.2
275.11755	4.3
277.09811	8.8
277.13303	5.9
278.10406	12.2
279.11252	47.7
280.11990	10.0
281.12830	77.3
282.10172	1.8
282.13306	8.3
283.10785	17.4
283.14407	7.5
284.11505	7.7
285.12317	36.7
286.13135	10.1
287.13971	2.3
291.11346	16.8
291.14575	2.8
292.12030	6.7
293.09277	4.8
293.12793	36.0
294.13483	4.6
295.10773	8.2
295.14352	9.3
296.11450	7.4
297.12341	29.3
298.13052	12.9
299.13873	30.6
300.14740	1.9
304.11850	2.2
305.09378	2.0
305.12677	2.1
307.10779	10.1
307.14005	2.1
309.12329	87.1
310.12967	7.7
311.13879	53.9
312.14200	6.9
313.15497	7.9
314.12875	1.8
317.12833	2.3
319.10779	8.8
319.14035	1.9
320.11365	2.8
321.12427	18.0
323.10263	3.4
323.13602	7.4
324.11005	2.7
325.11765	9.5
325.15448	4.5
326.12607	6.3
327.13397	77.2
328.14078	5.2
330.16168	2.3
335.13843	3.0
336.11166	3.2
337.11865	14.6
337.15506	3.0
338.12497	5.4
339.13419	17.7
340.13968	3.4
341.14954	64.8
342.15704	7.7
344.14041	3.5
347.13736	1.9
351.13663	7.5
352.13907	2.2
353.14929	17.5
355.12747	3.5
355.16714	2.8
356.13882	3.1
357.14514	14.2
358.15381	4.8
359.16040	12.1
365.15155	2.5
367.16788	1.9
369.14447	50.5
370.15045	5.1
371.16016	37.6
372.16782	6.8
373.17896	2.0
377.14832	2.0
379.12772	3.1
381.14481	4.7
382.15067	2.1
383.15994	7.9
384.17145	3.6
386.18970	2.9
387.15482	2.7
391.16510	1.9
393.14362	4.9
395.16049	4.1
397.17883	2.1
399.15536	5.1
400.16345	4.2
401.17059	6.5
402.18146	4.3
403.13074	2.0
403.18311	1.8
405.14484	3.5
407.15906	6.6
408.16074	1.6
409.17868	2.0
411.15494	16.6
412.16122	4.3
413.17099	12.4
414.18069	5.2
416.19788	8.9
417.14255	3.7
418.17368	3.3
419.16531	2.9
420.19403	2.3
421.17920	2.2
423.15469	4.2
425.17078	13.3
426.17621	1.9
429.16525	20.6
430.17542	9.0
431.18469	3.5
432.19174	12.8
434.20966	1.8
435.15558	36.7
436.15942	2.9
437.16940	6.5
439.14581	2.1
440.15421	2.3
441.16397	8.1
442.17606	6.2
443.18201	21.5
444.18924	2.4
446.20929	2.3
447.15576	2.7
448.18674	15.0
449.18021	1.9
451.14966	2.1
452.15134	1.7
453.10498	3.1
453.16562	47.3
454.16843	3.2
455.18259	16.1
456.19086	2.8
459.18277	1.6
460.18677	22.2
461.18451	2.0
462.20401	9.0
463.14957	2.4
465.16641	9.0
466.17285	3.3
467.18408	10.7
469.15958	2.8
470.16125	1.6
471.17599	45.6
472.18033	5.1
473.19318	7.0
474.20267	17.7
477.16513	5.5
479.18051	6.8
480.21368	38.1
481.15936	5.3
481.21896	2.6
482.16360	2.2
483.17749	9.9
484.18286	2.2
485.19284	12.2
490.19775	5.1
492.21286	64.6
493.21600	3.7
495.17880	2.8
497.19141	10.9
501.18713	1.9
502.19568	3.3
503.20148	14.0
504.21204	2.3
506.22974	10.7
513.18634	28.9
514.19128	4.0
515.20221	33.8
516.20752	3.0
522.14990	1.9
522.22388	26.7
523.22888	3.2
524.23419	1.7
528.20740	1.8
534.22327	20.3
540.21216	2.4
541.18103	3.4
542.22815	3.0
543.19141	2.9
556.20746	17.3
558.22235	4.4
562.21558	10.7
564.23285	2.7
568.20691	11.7
570.21503	1.8
574.22021	10.9
576.23700	2.6
582.23016	2.1
585.24414	4.1
586.21777	14.9
588.23407	43.0
589.23486	5.6
592.22900	23.9
593.22583	3.4
594.24390	43.2
595.25244	10.6
600.23395	47.4
601.23718	4.7
603.25964	9.5
604.22601	19.3
605.22607	1.9
606.24554	38.3
607.24615	3.4
613.26495	14.4
614.25684	2.2
618.24359	38.0
619.25073	3.2
621.26660	2.6
622.27112	2.2
624.25537	80.6
625.26202	8.9
627.27734	6.6
631.24915	4.2
632.26135	9.2
634.23828	4.9
635.24304	3.0
636.25507	100.0
637.26050	10.6
645.28613	4.2
650.26990	3.9
664.24860	11.8
665.26813	2.0
667.27344	8.9
668.27686	5.9
675.27399	5.5
693.29095	8.0
703.26776	4.9
707.30652	18.2
708.30188	3.0
711.29614	4.1
721.28436	11.3
725.31683	44.3
726.31665	6.5
729.30719	3.0
735.29596	5.4
739.29547	7.4
743.32648	12.8
753.31036	15.4
757.31329	7.6
771.32257	12.2
772.31061	3.1
789.32568	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	10.4
55.05515	32.2
57.03438	16.9
57.07064	4.2
61.01231	2.3
61.02937	11.8
65.03927	3.1
67.05505	82.5
69.03442	19.4
69.07074	28.9
71.04980	10.6
71.58437	2.1
71.58827	2.5
73.02900	7.2
79.05059	4.4
79.05498	61.3
81.03425	38.0
81.06581	5.3
81.07062	100.0
82.07388	2.9
83.04973	12.0
83.08621	19.0
85.02900	17.1
85.06529	5.1
86.09704	3.9
89.59425	2.3
91.03941	5.8
91.05486	62.7
93.07044	70.7
95.04984	20.6
95.08047	4.4
95.08607	55.5
97.02896	21.1
97.06525	10.6
97.10164	9.8
99.04459	5.7
99.08111	4.8
103.05406	2.6
105.04516	2.4
105.07038	67.7
107.04955	8.3
107.08601	43.6
109.02878	8.7
109.06512	10.9
109.10177	27.1
111.04491	2.6
111.08082	10.3
115.05440	5.1
117.07024	25.3
119.05006	2.5
119.08582	40.1
121.06504	7.5
121.10152	33.0
123.08070	7.2
123.11704	9.0
125.09662	5.3
127.03912	8.0
128.06221	5.9
129.05466	3.3
129.06996	18.7
131.08565	36.0
133.06511	3.6
133.10126	33.0
135.08081	7.8
135.11700	20.4
137.09630	6.0
141.07002	9.1
142.07773	6.7
143.08578	20.1
145.06464	3.3
145.10126	36.5
147.08031	4.3
147.11693	25.7
149.05978	3.5
149.09602	6.1
149.13252	10.3
151.11134	3.7
153.06941	3.0
154.07733	2.8
155.08542	13.5
157.10162	19.5
159.08008	2.8
159.11705	25.0
161.09625	7.5
161.13254	12.4
161.23001	2.6
163.11189	5.4
165.07175	2.7
165.12752	4.9
167.08594	5.6
169.10115	16.1
169.47112	2.3
171.08112	3.7
171.11673	16.3
173.04489	11.3
173.09644	5.7
173.13258	19.0
175.11107	3.2
175.14818	4.7
177.12776	3.6
179.08531	3.7
181.10114	10.1
183.11670	16.1
184.07368	7.7
185.13245	13.3
187.11191	2.9
187.14781	5.8
193.10161	3.9
195.11739	10.1
195.13930	2.8
197.13234	9.7
199.11198	4.5
199.14815	5.9
201.16379	4.3
207.11740	2.8
209.13336	5.0
211.14786	7.3
213.16443	3.4
221.13257	2.6
223.14864	6.4
225.16382	4.8
227.12717	5.7
229.14400	3.7
233.13226	3.2
235.14902	3.9
237.16458	4.7
239.17976	5.6
241.19586	7.1
257.18970	3.9
259.20621	11.5
261.22049	6.2
267.15735	6.1
269.17599	4.0
273.18463	6.2
275.20105	14.2
291.19904	2.7
299.14923	2.5
333.24396	12.4
335.26038	15.8
339.26965	3.0
349.23819	3.7
379.30130	3.0
381.91739	2.4
421.31171	4.2
423.33139	2.4
483.33475	2.8
487.34552	2.9
513.35742	14.6
515.37836	9.7
525.35980	2.8
527.37396	18.5
533.40375	4.4
543.36646	3.5
545.38550	3.4
551.40192	2.8
607.43549	50.5
623.42041	3.6
625.44659	66.7
626.44604	4.2
635.39563	5.2
653.40210	4.2
671.28040	3.0
671.40265	3.8
689.42218	8.7
733.45599	5.0
751.47046	4.8
769.48206	8.8
787.49573	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.8
55.05262	1.6
55.05514	26.4
57.03442	9.0
57.07081	1.9
57.83953	0.7
58.43511	0.7
59.05005	2.1
61.02927	11.9
62.44047	0.8
65.03935	3.9
67.05506	61.3
68.05801	1.0
69.03432	10.5
69.07070	26.4
69.41641	0.9
70.81174	0.8
71.01359	1.2
71.04993	5.9
71.08607	1.0
71.32183	1.6
73.02911	7.7
75.80753	0.8
77.00952	0.8
79.05495	43.5
81.03416	11.8
81.07059	53.7
83.04971	7.8
83.08619	14.8
85.02909	12.5
85.06548	4.0
86.09728	1.2
87.04489	1.1
91.03975	6.7
91.04903	1.3
91.05484	41.8
93.07044	44.4
95.04980	11.2
95.08610	38.1
95.09240	1.1
97.02892	10.6
97.06539	16.0
97.10177	13.7
99.04468	2.5
99.08076	2.4
103.05473	1.6
105.07029	44.7
107.04986	5.5
107.08597	29.5
109.02938	2.0
109.06524	6.1
109.10155	21.9
111.04453	2.1
111.08053	4.0
111.11692	1.0
115.03957	1.2
115.05471	2.8
117.07018	20.4
119.08586	33.7
121.06504	3.3
121.10150	16.2
123.08058	4.0
123.11699	7.5
125.09642	9.6
127.03922	4.1
128.06197	4.6
129.05548	1.5
129.07010	17.3
130.07777	1.4
131.08571	31.0
131.94363	0.9
133.06500	2.6
133.10129	27.7
135.08066	4.3
135.11700	11.1
137.09625	2.9
139.11214	2.1
141.06987	7.1
142.07780	3.8
143.08568	21.6
143.09688	1.2
144.09358	1.1
145.06464	2.5
145.10129	25.5
147.08064	3.5
147.11699	15.0
149.02333	2.0
149.09613	7.2
149.13239	5.7
151.11188	2.1
153.06999	1.9
154.07733	1.9
155.08572	11.4
156.09290	1.3
157.10129	19.4
159.08054	2.4
159.11702	18.9
161.09665	2.1
161.13268	8.8
163.11189	4.8
163.14890	1.9
165.06987	1.2
165.09151	1.0
167.08577	6.9
168.09348	2.1
169.10143	14.5
170.10751	1.1
171.08121	1.6
171.10236	1.7
171.11687	17.9
172.29657	0.9
173.04494	2.4
173.09593	2.1
173.11775	2.9
173.13252	14.5
175.11264	1.9
175.14819	5.0
177.12750	2.8
179.08528	3.0
179.14346	1.5
180.09366	1.0
181.10100	8.4
182.10886	1.3
183.11694	18.1
184.07397	3.3
184.12393	1.1
185.09666	1.5
185.13260	12.0
187.11198	2.8
187.13354	1.2
187.14796	5.3
189.11230	4.9
189.12677	1.3
189.16457	1.2
191.14215	1.6
193.04955	1.9
193.10144	4.1
194.10956	1.0
195.11699	10.5
197.09630	1.1
197.13266	10.4
199.11212	1.6
199.14825	8.8
201.12840	1.5
201.16400	2.0
205.15987	1.0
206.10916	1.3
207.11716	3.2
209.13281	7.9
211.14821	7.5
213.12897	1.4
213.16469	4.3
215.14435	1.6
215.17999	1.7
219.11723	1.3
221.13303	3.3
223.14845	5.1
224.15486	0.9
225.16345	6.2
227.12651	4.1
227.17989	3.5
227.20102	1.0
229.14163	4.2
229.19583	1.7
231.13992	0.9
231.17410	1.2
233.13255	2.1
235.14972	2.2
237.16455	4.5
239.14333	1.2
239.18028	4.1
241.19582	5.5
243.15759	1.6
249.16495	2.0
251.17929	2.9
253.19504	2.6
257.19052	4.5
259.20563	9.7
261.22125	1.8
263.17883	1.6
265.19675	1.9
269.19012	1.0
271.20554	1.7
273.18558	3.0
275.20087	11.1
279.21127	0.9
283.15659	1.8
283.20432	1.8
285.18591	1.0
285.22079	1.0
291.19617	3.0
291.23337	1.7
293.21252	1.3
297.22125	1.3
301.21811	1.4
309.22153	1.8
310.30048	0.9
311.20135	1.2
311.23682	1.2
313.21707	1.8
315.23315	2.0
321.22202	1.4
323.23737	2.0
327.23279	1.6
329.24704	1.3
331.22809	1.4
333.24414	7.0
335.25735	2.6
339.23315	2.5
345.24481	0.9
347.22867	1.1
349.23828	6.9
355.26260	1.1
363.26483	1.0
365.28363	4.3
379.30032	2.6
381.31589	2.2
383.29559	1.8
403.29788	1.3
421.30981	3.6
433.31000	1.0
435.32834	1.1
439.32193	1.6
447.32669	0.9
487.34369	1.5
489.35690	1.1
495.34720	2.7
499.34131	1.7
501.35492	1.6
503.33481	0.9
511.37811	1.2
513.35834	28.1
514.36438	1.3
515.38470	5.8
517.34930	1.7
525.35870	1.4
527.37354	5.8
533.40118	4.9
537.35950	1.1
539.36926	1.3
551.40552	3.8
555.36810	1.9
567.40338	2.3
589.42371	1.8
607.43591	55.7
608.44415	4.4
609.45508	1.1
623.42596	1.2
625.44623	100.0
626.44958	8.5
649.44275	1.5
667.45276	1.6
675.40594	1.3
677.44751	1.2
689.41791	1.2
715.45337	2.3
733.46173	2.6
751.47339	1.9
769.49054	6.4
787.50018	13.8
788.49817	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5378
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05039	0.6
56.82682	0.1
58.06621	0.5
59.07146	0.1
59.07415	0.2
60.08163	6.5
61.28519	0.1
67.05493	0.1
70.06583	0.2
71.07369	3.3
71.53754	0.1
79.05484	0.1
80.97418	0.1
81.07062	0.1
84.08097	0.1
86.09704	32.4
87.10033	0.2
91.05454	0.1
93.07022	0.2
98.98462	2.7
104.10743	2.1
107.08595	0.1
116.39462	0.1
116.99446	0.1
125.00002	21.1
134.93396	0.1
142.29358	0.1
143.01010	0.3
147.93721	0.1
163.01408	0.1
166.02686	0.3
184.07335	100.0
185.07718	0.8
260.45337	0.1
443.53690	0.1
459.56293	0.1
500.31516	0.1
518.32532	0.2
595.46857	0.1
778.53833	2.5
779.54138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
58.06625	0.5
59.07386	0.1
60.08163	6.4
60.33958	0.1
61.13415	0.1
67.05490	0.2
70.06586	0.2
71.07373	3.5
71.53448	0.2
74.45214	0.1
75.23042	0.1
79.05478	0.1
86.09705	31.7
87.10038	0.3
91.05462	0.2
93.07023	0.2
98.98464	3.2
104.10748	1.9
116.99497	0.1
125.00002	21.9
143.01060	0.4
166.02699	0.4
181.16780	0.1
182.34874	0.1
184.07338	100.0
185.07678	0.6
185.42418	0.1
395.40424	0.1
518.32587	0.2
644.35138	0.1
698.40997	0.1
778.53766	3.3
779.53674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05513	1.8
57.03435	2.2
59.04996	0.6
60.08157	1.2
61.02923	5.9
67.05501	6.6
69.03424	3.6
69.07083	1.2
70.28243	0.5
71.04987	1.0
71.07381	1.0
71.58654	0.9
73.02911	4.5
79.05494	5.0
81.03414	3.4
81.07058	6.4
81.87348	0.7
83.08638	1.4
85.02919	5.8
86.09706	7.8
87.04476	0.9
87.10078	0.8
91.03955	4.1
91.05489	3.3
93.07052	5.4
95.04980	1.3
95.08607	4.3
97.02887	4.7
97.06529	0.8
98.98468	1.0
99.04465	1.2
101.02395	1.7
104.10722	0.8
105.07059	2.3
107.05035	0.7
107.08580	1.9
109.02893	1.4
109.10164	1.9
119.08589	2.2
121.10176	2.0
125.00001	5.6
127.03955	2.5
129.07004	1.3
131.08543	1.5
133.10168	1.6
135.11754	1.1
137.09715	0.6
147.11699	1.0
149.09679	1.5
157.10153	1.0
163.11037	0.7
184.07343	26.2
185.04230	0.6
185.07674	3.1
187.93687	0.5
193.12267	1.2
227.82025	0.6
233.11540	0.6
243.08542	2.6
267.16000	1.1
283.15231	6.8
305.21707	0.6
317.18106	0.7
335.25943	0.8
342.17395	0.7
439.63602	0.6
501.23074	10.6
519.29358	7.2
519.36304	0.9
520.29535	0.6
617.39569	1.0
779.45459	100.0
780.46008	4.6
785.45782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	0.5
55.05444	1.0
57.03353	1.3
58.91967	0.4
61.02834	4.1
61.03174	0.9
65.03858	0.5
67.05407	5.2
67.05797	0.7
69.03329	2.0
69.06990	0.9
69.43201	1.8
69.43623	2.4
71.04924	0.7
73.02816	2.2
79.05385	2.3
81.03333	1.1
81.06953	3.8
85.02795	4.4
86.09612	1.4
87.04408	0.6
91.03846	2.9
91.05359	1.4
93.06934	3.2
95.04914	0.5
95.08603	2.4
97.02782	3.9
99.04354	0.7
101.02271	1.6
105.06940	1.0
107.08480	1.5
107.62497	0.4
109.02770	0.6
109.10146	4.8
111.31561	0.5
117.06925	0.4
119.08469	1.1
121.10072	1.1
124.99905	0.9
127.03780	1.7
133.10088	0.4
135.11603	0.9
140.42433	0.4
173.11603	1.7
173.12936	0.5
184.07365	4.7
185.04160	0.7
185.07582	0.6
195.09862	0.4
229.14243	0.9
243.08263	1.3
335.25659	0.8
348.52475	0.5
413.17920	6.1
495.16519	1.3
519.29193	7.8
590.99109	0.5
642.23120	2.4
643.23773	0.7
691.40265	100.0
692.41003	3.9
781.42340	15.3
782.43005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.4
60.08168	5.1
69.13679	0.3
71.07381	2.8
71.57521	0.4
71.57946	0.5
77.13457	0.4
86.09710	25.2
98.98460	2.1
104.10152	0.3
104.10743	2.4
120.83897	0.3
124.99080	0.7
125.00006	15.0
184.07349	100.0
185.07596	0.6
227.96928	0.3
355.94601	0.3
402.10968	0.3
566.10498	0.4
592.97894	0.4
786.52808	9.3
787.53204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.9
56.60856	0.6
58.06612	0.7
60.08167	5.9
62.54459	0.5
64.50583	0.7
71.07368	3.3
71.24682	0.8
71.24992	0.8
78.55309	0.7
83.17323	0.5
86.09706	29.0
95.08584	0.7
98.98457	3.2
104.10740	2.6
125.00005	18.7
163.58885	0.6
180.25235	0.6
184.07343	100.0
185.07649	0.9
217.25252	0.6
217.27789	0.6
336.31494	0.6
526.85944	0.7
584.15173	0.6
698.48352	0.7
786.52844	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	787.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01650	0.3
55.01876	3.2
55.05497	0.6
57.03430	0.4
62.36800	0.3
65.03953	1.5
65.29992	0.3
66.04714	0.3
67.05495	2.5
69.03415	0.7
71.58528	0.5
71.58882	0.4
79.05495	4.1
81.03416	1.6
81.07060	1.5
83.04961	0.4
85.02894	0.8
91.05479	2.7
93.03394	0.3
93.07021	0.9
94.04174	1.9
94.57869	0.3
95.04963	2.8
95.08596	0.7
97.02872	0.4
97.06547	0.6
101.12277	0.3
103.05469	10.6
105.07030	2.6
107.04955	3.8
107.08579	0.4
109.02908	0.4
109.06510	0.8
109.10129	0.8
111.04445	1.4
113.68606	0.3
115.05457	1.1
117.07060	1.5
118.04218	0.4
119.04986	0.8
119.08595	0.8
121.06490	0.9
121.10153	0.4
122.03661	5.1
123.04399	1.4
123.08033	0.3
125.05993	1.7
128.06194	0.8
129.07002	2.4
131.04927	29.7
131.08609	0.4
132.05199	0.4
133.02907	0.5
133.06490	2.5
135.04457	0.4
137.05975	87.9
138.06326	1.2
141.07065	0.4
142.02586	0.4
143.04881	0.4
143.08556	0.7
145.06480	1.6
145.10115	0.6
147.04401	1.0
147.08040	0.9
149.05983	1.3
151.03915	1.0
151.07565	1.2
153.05470	1.9
153.06918	0.6
155.07104	0.5
157.06490	1.9
159.04399	0.4
159.08063	0.5
160.05238	0.5
161.05962	3.6
163.07542	24.3
164.07861	0.3
165.06973	0.3
167.07033	13.1
171.06499	1.0
171.08008	0.7
173.06012	1.1
173.09592	0.3
174.06795	0.7
175.07617	2.3
177.05479	5.5
177.09032	1.6
179.07050	2.7
181.04968	23.0
181.06396	1.2
182.05435	0.4
183.06601	0.5
183.08081	0.7
184.07310	0.6
187.07561	2.2
189.09123	4.6
191.07027	1.3
193.08614	2.9
199.07555	0.4
201.09105	0.9
203.06905	0.8
203.10728	1.2
205.08618	1.6
207.06558	2.6
207.08258	0.4
207.10231	1.1
209.08083	5.1
211.07550	0.8
213.09192	0.8
217.08618	1.2
219.08130	0.4
219.10156	0.7
220.07291	0.5
225.07695	0.5
231.10025	0.6
233.11794	0.8
235.09671	1.4
243.10362	0.5
249.11311	1.7
261.11298	1.6
268.26160	0.3
275.07013	0.4
275.10724	0.4
283.15588	0.4
289.10779	0.3
307.09833	0.4
324.74594	0.3
325.10858	0.4
335.12656	0.4
348.93161	0.3
349.49841	0.3
365.13748	1.2
365.23355	0.3
367.15338	3.0
383.14865	1.8
385.16455	100.0
386.16776	3.1
446.49561	0.4
503.20657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05512	2.5
57.03440	1.7
59.14511	0.4
61.02927	4.2
67.05508	4.8
69.03425	3.3
69.07063	3.6
71.04995	0.9
71.58379	0.6
71.58768	0.6
73.02907	3.5
79.05495	5.5
81.03416	2.7
81.07057	5.3
83.04961	0.9
83.08633	1.3
85.02911	5.5
86.09710	1.4
87.04484	0.9
87.54539	0.4
91.03964	2.3
91.05470	2.8
92.05810	0.6
93.07047	5.5
95.04969	1.6
95.08613	5.1
97.02895	4.3
97.04123	0.5
97.06538	1.1
97.10176	1.2
99.04482	1.6
101.02406	1.3
105.07041	2.7
107.04976	1.4
107.08573	3.4
109.02880	0.7
109.10193	1.3
111.04419	0.6
113.78421	0.5
115.04032	0.5
117.07053	1.5
119.08603	2.1
121.06529	0.6
121.10157	1.9
123.08088	0.7
123.11678	0.5
125.09666	0.9
127.03944	1.4
129.07027	0.7
131.08597	1.1
133.10170	1.9
134.58559	0.5
135.11713	3.8
137.06032	0.8
141.50145	0.5
145.10159	2.0
147.11731	0.9
157.10146	0.7
163.07541	0.5
163.11182	4.5
181.12248	0.7
184.07327	3.3
185.04298	0.6
211.13402	0.5
219.09894	0.5
227.12769	4.4
243.08443	3.8
249.11020	7.2
263.17599	0.5
305.13660	2.3
313.09357	0.7
333.20651	0.9
373.11038	0.5
413.17630	0.5
439.19388	1.1
453.21246	0.6
453.81607	0.6
467.18890	13.6
539.20996	0.7
551.28253	6.6
615.43842	1.0
636.39923	0.5
689.75519	0.6
759.38745	3.8
777.40259	100.0
778.40533	3.7
787.88251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99643	0.8
55.01878	5.7
55.05511	47.0
56.12185	0.8
56.19994	0.9
57.03439	20.0
57.07066	3.4
59.04994	3.0
61.02915	3.5
65.03931	3.2
67.05505	100.0
69.03419	5.1
69.06725	1.4
69.07071	20.0
69.48537	1.9
69.48933	6.0
71.01346	2.1
71.04991	5.5
71.08624	1.4
73.02911	1.4
75.16261	0.8
77.03932	1.4
79.05493	44.9
81.03421	6.6
81.07056	65.9
82.07339	1.3
83.04990	5.5
83.08624	17.0
85.02901	19.0
85.06554	4.0
86.09701	1.4
87.04457	7.5
91.03944	1.3
91.05477	26.6
93.07043	42.5
95.04954	8.4
95.08607	43.7
97.02886	4.0
97.06516	5.8
97.10169	24.4
99.04443	1.0
99.08100	2.0
103.03961	1.4
105.07030	19.0
107.04946	1.8
107.08594	30.0
109.06509	3.7
109.10156	52.5
111.08058	5.5
111.11696	1.9
117.06992	6.4
119.08585	15.4
121.06491	2.2
121.10152	22.3
123.08097	3.0
123.11703	6.5
125.00029	1.1
125.09629	22.8
127.03825	1.1
129.06996	3.2
131.08588	10.0
133.10123	11.6
135.08041	1.7
135.11700	12.4
137.09596	3.8
137.13234	1.6
139.11159	3.3
143.08545	2.2
143.10684	4.9
144.51511	0.8
145.10112	9.4
146.10474	0.9
147.08081	1.9
147.11678	7.4
149.09590	2.4
149.13295	4.5
151.11176	2.5
153.09023	1.2
153.12740	1.7
155.10666	2.6
157.10155	2.6
159.11674	5.8
161.09586	1.3
161.13277	5.4
163.11237	6.2
163.14873	1.9
165.12823	1.8
169.09973	1.0
170.99883	1.0
171.11678	2.6
173.09569	1.4
173.11734	14.6
173.13292	4.8
175.14804	2.3
177.12680	0.9
181.12135	2.1
183.11687	1.0
184.07324	4.6
185.13281	2.0
187.14801	2.6
189.11237	2.4
193.12253	2.8
195.13727	1.0
199.13300	11.8
199.14940	1.4
201.16338	1.1
203.12675	2.0
209.11707	2.7
211.13242	2.5
217.14320	1.8
223.16995	1.0
227.12799	10.8
229.14342	45.8
241.14294	0.9
243.21114	3.9
245.13820	3.5
255.09117	1.0
257.13763	1.3
259.20563	2.1
261.22189	11.9
267.15897	4.8
271.20511	1.3
275.19757	1.0
277.21576	2.3
283.15277	1.7
285.16882	1.9
287.19922	1.6
289.21741	2.0
291.23166	1.0
297.22397	1.2
299.14951	7.7
301.16452	21.6
301.21518	1.7
315.23257	1.5
317.15845	1.3
317.24734	2.0
318.16388	1.0
319.17343	3.3
325.24521	0.9
327.23096	1.6
333.24307	1.1
335.25809	62.1
336.26050	3.6
337.27393	7.7
351.25473	1.1
363.25296	1.9
433.31122	1.2
451.32108	2.3
459.34659	2.9
469.33112	1.6
477.29779	1.4
477.35867	11.0
487.33591	1.1
489.35840	10.7
499.14871	1.6
503.33234	0.9
519.08740	1.0
525.35400	1.8
536.91455	0.9
543.36682	8.0
546.81543	0.9
561.29578	1.4
561.37915	17.8
579.38922	5.3
722.59619	1.2
777.37592	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	776.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.9
55.05511	39.9
56.05865	0.5
57.03439	17.2
57.07079	2.4
59.05005	3.5
61.02929	4.3
65.03935	3.4
67.05505	100.0
68.05835	1.6
69.03425	3.3
69.07068	16.4
70.77033	0.9
71.01354	1.7
71.04987	4.2
71.08649	0.5
73.02921	2.5
77.03928	0.4
79.05495	42.0
79.71993	0.4
80.05823	0.7
81.03421	5.0
81.07057	59.8
82.07393	0.9
83.04995	6.0
83.08620	13.8
85.02906	14.5
85.03426	0.7
85.06540	3.2
86.09719	3.9
87.04471	5.0
91.03957	1.6
91.05482	24.9
92.05791	0.5
93.07045	43.9
95.04978	7.5
95.08607	42.1
96.08935	0.7
97.02917	3.9
97.06531	4.9
97.10171	20.3
98.98466	0.6
99.04462	0.8
99.08089	1.5
103.03954	1.6
103.05450	0.7
105.04519	0.7
105.06307	0.4
105.07030	15.6
107.04970	2.2
107.08595	26.3
108.08939	0.8
109.06538	2.9
109.10157	50.6
110.10520	0.7
111.04446	1.5
111.08096	4.1
111.11709	0.7
117.07005	6.9
119.08581	15.2
121.06527	1.2
121.10146	19.3
123.08104	2.4
123.11711	5.4
124.99975	2.2
125.06025	0.5
125.09637	15.8
126.09983	0.5
127.03920	0.7
127.11148	0.5
129.06960	2.1
130.07822	0.5
131.08577	9.7
133.10135	10.0
134.10500	0.5
135.08069	1.2
135.11699	12.2
136.12012	0.6
137.06000	0.4
137.09586	2.5
137.13295	1.7
139.11168	1.7
139.17770	0.4
143.08548	2.1
143.10686	2.6
144.09386	0.5
145.10123	9.8
147.08043	1.3
147.11691	6.2
149.09608	1.9
149.13251	5.6
151.11171	1.2
153.12738	2.0
155.08571	0.9
155.10664	2.7
157.10127	1.8
159.06604	0.4
159.08128	0.4
159.11687	5.1
161.13237	4.3
163.11195	3.9
163.14859	2.9
169.10153	0.9
171.11674	2.2
173.09601	1.0
173.11742	13.6
173.13264	4.5
175.11217	0.8
175.14848	1.5
177.12796	0.6
177.16431	0.8
181.12248	2.0
183.11639	0.8
184.07346	12.8
185.11748	0.7
185.13274	1.2
187.14836	2.4
189.11240	1.1
191.10689	1.4
191.14285	0.6
193.12238	2.0
195.11829	0.5
197.13274	0.6
199.13284	9.6
199.14864	0.9
201.16385	0.9
209.11737	3.3
209.13419	0.6
211.13309	1.3
215.18042	0.6
217.14360	1.7
221.15436	0.6
227.12808	7.2
229.14352	44.1
230.14717	0.9
233.15503	0.7
233.22664	0.7
241.19505	0.6
243.21107	3.5
245.13966	2.8
257.13724	0.8
259.20566	1.9
261.22150	14.1
262.22455	0.7
267.15955	4.2
269.17212	0.5
271.20505	1.1
275.19931	0.7
277.21738	1.0
279.23221	0.5
283.15390	1.8
287.19778	0.5
289.21725	0.7
297.22296	0.7
299.14908	1.9
299.23639	1.1
300.15164	1.7
301.16461	18.5
302.16739	0.5
303.23102	0.5
309.21796	0.6
315.23135	1.5
317.24747	1.9
319.17459	0.7
327.23001	1.1
333.24274	1.2
335.25803	76.5
336.26260	4.4
337.26395	0.9
351.25513	0.7
363.25195	1.7
379.29614	0.5
418.32788	0.4
419.27762	0.8
451.31946	1.5
459.34561	1.5
463.30557	0.5
469.33011	1.1
475.30270	0.5
477.35892	8.2
487.34436	0.7
489.35800	15.7
490.36005	1.0
505.35117	0.5
507.36172	0.8
525.35510	0.8
543.36731	5.0
561.37726	10.2
562.37128	0.8
566.06958	0.5
579.38623	3.0
672.41675	0.6
723.42352	0.6
776.43787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
55.05510	40.5
56.05845	1.1
57.03437	18.4
57.07068	2.5
57.50895	1.0
59.04987	2.9
60.08153	2.8
61.02918	4.4
65.03926	3.0
67.05503	100.0
68.05839	2.8
69.03423	3.4
69.07066	16.9
70.77305	3.1
71.01357	2.3
71.04986	4.9
71.07355	2.1
71.08638	1.4
73.02899	2.9
79.05490	49.2
79.41163	0.8
80.05824	1.4
81.03424	4.9
81.07058	65.3
82.07370	1.9
83.04989	8.1
83.08620	15.7
85.02907	17.7
85.06530	3.0
86.09706	17.8
87.04473	5.7
91.03923	2.0
91.05476	27.3
91.68908	1.1
93.07040	47.9
95.04983	8.2
95.08604	46.7
96.08958	1.2
97.02902	5.1
97.06512	5.5
97.10171	20.6
98.98447	1.4
99.08085	1.4
105.04501	1.4
105.07028	18.3
107.04956	2.5
107.08595	31.5
108.20818	1.0
109.06516	3.0
109.10151	45.0
110.10531	1.0
111.04427	2.8
111.08096	3.6
117.07019	6.6
119.08582	18.2
121.06499	1.1
121.10142	25.9
123.08080	3.0
123.11707	5.6
124.99997	10.8
125.05986	1.1
125.09630	21.1
127.03934	1.3
129.06989	3.6
131.08569	10.5
133.10150	10.1
135.08075	2.1
135.11685	12.9
137.09644	2.8
137.13220	1.1
139.11171	2.0
143.08559	3.0
143.10669	3.4
145.10083	11.6
147.08020	1.8
147.11679	6.9
149.09598	3.1
149.13248	5.1
151.11128	1.1
153.12738	3.3
155.08636	1.1
157.10205	2.4
159.11699	4.1
161.13234	4.4
163.11212	7.5
163.14796	3.2
169.10257	1.2
171.11630	1.8
173.11731	10.3
173.13269	4.9
175.14786	1.4
177.12689	1.3
177.16455	1.9
181.12289	1.1
183.11646	1.7
184.07341	61.9
185.13266	1.6
187.14827	2.9
189.11218	2.8
191.10677	3.3
193.12309	2.2
197.13304	1.1
199.13252	8.5
199.14799	1.4
201.16373	1.1
209.11725	6.7
211.13222	2.0
217.14243	1.2
227.12779	9.6
229.14346	37.1
241.19510	1.4
243.21059	5.6
245.13858	2.3
259.20560	1.8
261.22186	14.2
267.15863	5.2
277.21695	2.3
283.15347	3.9
285.16803	1.1
299.14911	5.2
300.15250	4.5
301.16464	31.9
301.21707	1.8
315.23294	2.9
317.24658	2.5
319.17587	1.8
333.24347	1.5
335.25803	85.2
336.26337	4.7
337.26379	3.1
363.25403	2.3
375.25262	1.3
438.98413	1.2
449.10342	1.1
451.32068	2.4
459.34631	2.0
477.35657	11.6
489.35736	12.4
525.35681	1.3
543.36761	9.6
560.36768	1.9
561.37726	23.9
579.38562	4.0
609.43890	1.1
613.00226	1.2
672.41815	4.0
776.46375	1.4
777.39392	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	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.5
55.05511	8.5
57.03180	0.9
57.03434	7.2
57.07074	1.2
60.08158	1.3
61.02913	2.4
65.03932	1.3
67.05505	36.3
69.03414	1.5
69.07072	9.7
71.04978	2.3
79.05064	1.1
79.05498	21.3
81.03392	1.4
81.07057	34.1
82.07385	0.7
83.04974	3.1
83.08609	3.8
85.02892	1.5
85.06527	2.2
86.09710	3.6
87.72073	0.6
91.03880	0.7
91.05483	28.0
93.06471	1.3
93.07043	24.7
95.04962	4.2
95.08607	21.9
97.02877	1.1
97.06511	2.4
97.10133	2.1
98.20702	1.2
99.04418	0.9
99.08112	1.1
105.06390	1.3
105.07039	19.2
106.07390	0.9
107.08595	21.0
109.06493	1.8
109.10155	28.7
111.08095	1.7
113.05984	1.8
117.07016	4.4
119.08582	8.8
121.10149	9.0
123.08059	0.8
123.11689	5.3
125.00012	2.5
125.09607	1.6
128.06209	1.2
131.08531	4.7
133.10130	49.5
134.10464	0.8
135.08038	1.3
135.11679	7.2
137.09628	1.6
142.60550	0.7
143.08540	3.7
145.10115	3.6
147.11681	2.7
149.13281	3.3
151.11183	20.2
159.11694	2.6
161.09634	9.9
161.13269	2.3
163.14803	1.2
169.12221	3.7
173.13266	3.0
175.14836	1.1
177.16512	0.7
179.10672	8.6
184.07338	13.4
185.07632	1.1
187.14705	1.2
197.11659	3.3
215.12807	13.9
232.22310	0.8
234.82474	0.7
243.21037	4.2
253.14360	15.7
261.13217	0.9
261.22122	14.6
271.15433	5.3
279.23184	0.8
299.14883	9.6
307.57599	0.7
317.15955	63.2
317.24686	2.4
318.16071	1.5
335.25803	100.0
336.26126	3.0
353.88446	0.7
363.25302	0.9
443.60318	0.8
469.61072	0.7
513.35516	1.2
531.36798	4.6
559.36426	3.4
577.37378	42.4
578.37457	2.3
595.38446	1.7
631.93390	0.8
661.05957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
55.05512	19.1
57.03444	16.7
57.07077	3.2
61.02915	1.3
65.03928	1.6
66.47012	0.6
67.05505	53.6
69.03410	2.5
69.07073	13.1
69.89580	3.6
71.04996	3.3
71.08617	0.7
78.09020	0.6
79.05494	38.7
81.03420	79.7
81.07059	53.4
83.04977	6.2
83.08149	1.0
83.08622	20.4
85.02878	1.9
85.06532	3.1
86.09696	2.8
91.05483	30.8
93.07046	42.4
95.04362	1.3
95.04972	27.0
95.08608	40.4
97.02881	3.7
97.06529	4.6
97.10178	7.2
99.08094	1.5
103.05492	0.8
105.04514	0.9
105.07029	23.5
107.04971	7.0
107.08593	22.4
109.06540	4.8
109.09460	1.2
109.10159	17.7
111.04420	2.3
111.08094	8.1
111.11688	0.8
115.05431	1.9
117.07021	7.2
119.08585	23.0
121.06494	4.2
121.10146	22.5
122.10469	0.7
123.04460	1.2
123.08064	3.9
123.11716	6.8
124.99997	1.4
125.09641	4.2
128.06177	0.8
129.07005	10.0
131.08572	17.0
133.06471	2.5
133.10130	12.4
135.08028	2.4
135.11696	11.3
136.93262	0.6
137.09599	2.3
137.13255	2.6
142.07806	2.2
143.08575	2.4
145.10115	8.1
146.21266	0.8
147.08102	4.0
147.11691	13.4
149.09605	5.4
149.13277	6.6
151.11215	1.2
151.14859	1.1
153.12764	0.9
155.08557	1.5
157.10152	11.7
159.11705	6.7
159.28511	0.7
161.09641	1.2
161.13277	5.0
163.11156	3.0
163.14746	3.4
165.12752	3.0
169.10118	1.7
171.11674	3.1
173.13240	5.9
175.11197	7.8
175.14833	2.2
177.12732	1.7
177.16344	1.1
183.11639	0.9
184.07339	7.6
185.13261	2.2
187.13339	0.8
187.14844	2.8
189.11229	3.4
193.12238	21.9
197.13239	1.2
199.14775	0.9
201.16289	1.0
202.85535	0.7
211.13292	1.6
223.14946	0.8
227.12744	7.8
233.15388	1.1
235.13239	1.7
243.21104	6.0
247.17030	1.1
249.14938	2.7
259.13232	0.7
259.20749	0.7
261.22144	17.3
267.15918	100.0
268.16348	1.5
273.14981	0.8
279.23212	2.4
285.16989	0.9
287.23801	0.8
295.22583	0.8
299.23633	1.1
301.14273	1.6
301.25269	6.7
303.23184	1.3
309.17075	1.8
317.24771	2.6
335.25815	76.3
336.26254	1.6
337.27463	1.1
359.25726	1.5
371.33856	0.7
389.23099	0.9
403.25049	1.2
417.26303	1.0
417.31448	1.5
421.25882	2.9
435.27313	2.7
435.32645	5.4
449.28760	1.0
453.33643	7.7
471.35141	3.8
475.30951	1.0
509.36182	2.9
527.37360	65.6
528.37695	3.1
545.38409	63.8
546.38678	2.1
559.39673	2.8
569.38306	3.1
577.40582	1.9
601.60126	0.7
623.38727	1.4
635.39240	1.1
653.40479	1.3
718.96320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.8
57.03432	13.4
57.07074	6.3
61.02927	17.8
67.05174	4.9
67.05506	77.5
69.03429	11.7
69.07063	25.9
69.59679	27.2
71.01361	5.0
71.04994	4.7
73.02915	8.1
79.05132	3.9
79.05505	50.1
81.03420	11.0
81.07063	66.4
82.24036	3.9
83.04993	4.6
83.08623	15.3
85.02897	13.3
86.09700	10.1
91.03926	4.7
91.05479	53.2
93.07042	63.2
94.07381	4.0
95.04974	10.8
95.08059	4.6
95.08614	57.9
96.27593	3.5
97.02888	12.1
97.06534	7.4
97.10153	5.6
105.07024	53.4
107.08604	41.9
109.06496	6.2
109.10140	18.7
111.08155	3.7
115.05437	4.3
117.06989	22.3
119.08580	49.0
121.10151	30.1
123.08115	4.5
123.11669	5.3
124.99973	4.9
129.06998	17.4
131.08582	35.9
133.10146	30.6
135.11713	16.9
141.06975	6.7
142.07767	4.6
143.08575	19.3
145.10133	34.1
147.11699	26.8
149.13258	14.7
155.08554	7.2
157.10136	15.9
158.10396	3.5
159.11682	24.4
161.13237	20.4
163.11229	4.2
163.14813	4.1
168.09355	4.6
169.10135	7.9
171.11700	14.2
171.78552	3.4
173.13264	14.5
175.14832	7.1
183.11661	5.2
184.07350	27.1
185.13266	14.4
187.14777	6.6
189.16547	4.2
195.11731	3.8
197.13237	12.0
199.14828	9.2
211.14899	4.6
213.16347	3.9
215.17892	4.9
241.19533	15.1
257.18936	6.0
258.87683	4.0
259.20651	33.3
261.22174	7.6
301.21689	4.1
315.23276	4.3
333.24255	26.8
335.25836	47.2
385.24246	3.7
409.67734	3.9
519.41779	3.7
593.45081	4.7
610.45087	5.4
611.46710	100.0
612.46838	9.0
701.46735	3.8
763.76892	3.9
773.51385	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	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.6
55.05517	28.6
57.03436	14.8
61.02919	17.3
61.41070	6.4
66.01774	4.9
66.03804	6.5
67.05505	66.8
69.03423	7.3
69.07058	19.5
70.76519	7.4
70.76847	10.5
76.72453	5.1
79.05489	57.5
81.07064	72.3
83.04987	5.2
83.08610	11.9
85.02922	10.3
86.09713	10.3
91.05471	47.0
93.07049	72.6
95.04951	11.6
95.08604	46.9
97.02905	7.4
97.06509	7.9
105.07037	48.7
107.08611	33.9
109.10181	22.1
117.07025	19.9
119.08572	41.4
121.10133	27.6
125.00022	7.5
129.07042	13.8
131.08592	24.8
133.10149	30.2
135.11714	18.0
136.03946	6.4
143.08580	14.5
145.10104	28.3
147.11693	28.2
149.13275	9.0
155.08553	8.0
157.10097	22.4
159.08109	7.4
159.11674	25.0
161.13286	22.4
163.14990	6.9
169.10159	9.8
171.11742	22.1
173.13312	10.7
175.14825	8.0
183.11684	7.4
184.07343	19.5
185.13240	9.5
187.14871	7.0
197.13214	9.1
199.14859	10.7
213.16699	5.1
241.19489	11.6
259.20422	32.4
261.22107	6.1
333.24109	28.6
335.25748	44.3
537.14594	5.7
593.45282	7.6
611.46613	100.0
612.46936	10.5
759.28467	5.7
773.51062	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	1.3
55.05439	6.8
55.05727	0.9
57.03362	3.2
57.07001	2.9
61.02846	9.8
61.03194	1.3
65.03883	1.2
67.05418	14.8
67.05814	1.6
69.03343	5.6
69.06979	6.9
69.23259	1.8
69.23687	4.1
71.01303	0.7
71.04944	1.0
71.08562	1.1
73.02831	5.7
79.05402	8.3
80.16724	0.5
81.03329	2.9
81.06964	13.8
81.07473	0.9
83.04919	1.1
83.05375	0.5
83.08533	4.4
85.02810	10.0
85.03363	0.7
85.06495	1.1
86.09632	1.2
87.04379	0.7
91.03953	5.8
91.05479	8.6
93.07041	10.8
95.04868	1.5
95.05409	0.6
95.08611	11.7
95.09166	1.1
97.02895	9.1
97.06417	1.5
97.10074	2.1
99.04405	0.6
101.02277	1.9
103.05396	0.8
105.07034	10.9
107.08590	6.7
109.06419	0.5
109.10164	6.4
111.08006	1.1
115.03854	0.8
115.05386	0.8
117.07010	5.8
119.08583	8.8
121.10143	5.0
123.07991	0.8
123.11591	1.4
124.99928	0.6
125.09544	1.1
127.03814	2.1
128.06151	1.4
129.07010	5.7
131.08574	10.5
133.10135	6.3
135.11659	2.9
141.06883	2.0
142.07677	1.1
143.08568	9.6
145.04897	0.9
145.06319	0.6
145.10120	10.6
147.11685	4.1
149.13222	1.1
153.06969	0.5
154.07651	0.6
155.08540	4.7
156.09256	0.6
157.08965	0.6
157.10118	7.5
159.10506	0.7
159.11682	8.1
161.13248	2.6
165.16316	0.5
167.08463	1.9
168.09293	0.6
169.10153	6.1
171.11673	7.0
173.12009	0.4
173.13271	4.5
175.14798	1.3
179.08521	0.7
181.10150	2.8
183.11682	5.6
184.07216	2.1
185.11732	0.7
185.13217	4.8
186.13765	0.5
187.14827	2.5
189.16264	1.2
195.11659	2.7
197.13232	3.4
199.13153	0.5
199.14832	3.4
201.16270	1.6
203.17935	0.7
205.19460	0.6
207.11656	0.8
209.13150	2.2
211.14764	3.8
213.16403	3.4
215.17856	1.6
221.13141	1.1
223.14735	1.7
225.16280	2.1
227.17841	1.9
229.19354	1.6
235.14713	1.4
237.16336	1.3
239.17841	1.9
241.19391	2.0
243.21088	0.8
249.16432	0.8
251.17905	0.8
253.19514	1.0
255.17177	0.6
255.21132	0.7
267.20941	0.7
281.99292	0.5
283.20288	0.9
297.22232	0.6
311.23630	0.7
325.24985	1.0
339.26944	0.8
341.24908	0.6
351.26645	0.6
353.28531	0.9
367.30008	0.9
379.54593	0.7
395.33499	0.7
407.28891	0.7
421.30746	0.5
481.33154	0.7
499.33450	0.9
501.41141	1.0
515.37061	0.8
519.41913	3.5
529.38684	1.0
537.35376	0.6
537.42798	2.5
541.38837	0.9
583.44366	0.7
591.43646	0.7
593.45770	6.5
609.44800	1.4
611.46692	100.0
612.47131	4.4
623.46460	1.0
641.44604	0.6
653.48132	0.8
719.48981	1.3
737.49335	1.6
755.51031	1.4
773.51910	20.7
774.52740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2134
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01874	0.3
55.05513	1.2
57.03433	1.2
61.02929	1.3
65.03950	0.1
67.05479	0.2
68.99819	0.2
69.03427	2.7
69.07060	0.1
71.01365	0.1
71.04993	3.9
71.57990	0.1
73.02911	0.7
75.04496	0.5
77.30254	0.1
79.05493	0.2
81.03419	1.2
81.07103	0.1
83.04981	9.5
85.02905	14.0
86.09692	0.1
87.04462	0.3
91.03963	0.6
91.05463	0.2
92.83801	0.1
93.03403	0.2
93.07059	0.1
95.04977	0.2
95.08602	0.1
97.02892	3.2
97.06539	0.3
99.04453	0.7
101.06004	0.2
103.03947	0.1
107.04989	0.2
109.02866	1.1
109.10179	0.1
111.00808	0.7
111.04446	3.9
115.03970	0.1
119.08541	0.1
121.02857	0.9
121.06458	0.2
123.04422	0.2
127.03912	2.2
129.05482	4.1
133.06499	0.2
133.10220	0.1
135.04427	0.3
137.02336	1.7
137.05975	0.5
138.07895	0.1
145.04950	1.7
147.04565	0.1
147.06528	1.0
149.02361	0.3
151.03928	0.4
153.01816	2.1
153.05443	0.2
155.31779	0.1
161.06010	0.2
161.23941	0.1
163.03893	0.5
163.06023	0.3
165.01831	1.4
166.02594	0.2
173.05974	0.3
175.14822	0.1
179.03542	0.1
183.02934	0.5
187.03914	0.2
193.04961	0.1
195.02922	0.3
196.98831	0.1
201.05449	1.0
206.51590	0.1
219.02806	0.1
219.06581	0.2
229.04990	3.2
229.07295	0.2
233.11685	0.2
237.07454	0.7
247.05984	0.4
250.14397	0.1
255.08627	0.9
257.04468	2.0
273.09662	0.4
274.04626	0.5
275.05591	0.1
285.03912	0.9
286.04596	0.2
287.05408	0.2
303.04987	100.0
304.05325	2.4
309.11710	0.1
345.06015	0.2
369.05466	0.1
448.10281	0.1
465.10379	1.7
466.10654	0.1
504.48990	0.1
683.20184	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2138
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01875	0.2
55.05509	0.2
57.03438	1.6
61.02919	0.5
65.03934	0.1
65.90400	0.1
67.05496	0.1
68.99814	0.3
69.03436	1.2
71.01361	0.1
71.04994	9.4
71.16413	0.2
72.05341	0.1
73.02918	0.3
75.04481	0.4
81.03408	0.6
83.04973	0.6
85.02906	13.0
87.04469	0.3
87.17332	0.1
91.03940	0.2
93.03403	0.2
95.04964	0.2
97.02886	1.4
99.04450	0.3
107.04942	0.1
109.02872	0.6
111.00796	0.6
111.04425	0.4
119.00226	0.1
119.67787	0.1
121.02878	0.7
123.04463	0.2
127.03930	0.9
129.05484	3.0
137.02339	2.3
137.06004	0.1
145.04961	0.6
147.04413	0.1
147.06525	0.7
149.02364	0.3
153.01825	2.2
161.06015	0.1
163.03947	0.5
163.06020	0.1
165.01849	1.7
166.02640	0.2
171.04282	0.1
173.05997	0.2
183.02921	0.6
183.04355	0.2
187.03915	0.2
191.03427	0.1
195.02896	0.3
198.81599	0.1
201.05481	1.0
205.04984	0.2
211.03995	0.1
213.05635	0.1
216.31747	0.1
219.03027	0.1
219.06551	0.2
228.04337	0.1
229.04958	3.1
247.06035	0.8
257.04428	2.0
274.04797	0.6
275.05435	0.3
285.03970	1.1
286.04642	0.1
302.04324	0.1
303.04993	100.0
304.01807	0.1
304.05353	2.5
315.05130	0.1
345.05887	0.5
447.08932	0.1
465.10309	27.6
466.10742	0.6
477.08087	0.1
627.15637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
58.06384	0.1
58.06625	0.3
59.07397	0.1
60.08166	6.5
70.50459	0.2
70.50803	0.4
71.07372	2.8
72.07737	0.1
79.05508	0.2
81.07029	0.1
86.09706	30.7
87.10019	0.3
98.98465	2.6
104.10746	2.1
104.63607	0.1
114.67485	0.1
125.00007	19.2
143.01036	0.3
166.02693	0.3
183.46118	0.1
184.07341	100.0
185.07687	1.0
485.76376	0.1
496.34177	0.2
679.19800	0.1
754.53760	5.4
755.53705	0.2
772.54272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2131
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01854	0.1
55.05480	0.1
57.03432	1.5
59.04975	0.2
61.02891	0.5
68.99805	0.2
69.03434	1.2
69.50454	0.3
69.50861	0.8
70.14354	0.1
71.01347	0.2
71.04993	8.8
73.02898	0.3
75.04443	0.5
81.03378	0.5
81.03796	0.1
83.04959	0.5
83.05518	0.1
85.02905	13.1
87.04451	0.3
93.03380	0.2
95.04932	0.3
97.02374	0.1
97.02892	1.4
98.97562	0.1
99.04436	0.3
102.93062	0.1
105.07019	0.2
109.02875	0.6
109.06432	0.1
111.00811	0.6
111.04425	0.3
116.98580	0.2
119.99184	0.1
121.02882	0.6
121.10126	0.2
123.04463	0.1
123.67985	0.1
127.03915	1.0
129.05478	2.4
133.10135	0.2
137.01358	0.2
137.02341	2.2
137.05914	0.1
139.26624	0.1
145.04935	0.8
145.06236	0.1
147.06474	0.8
149.02307	0.3
153.01831	2.0
158.99571	0.1
161.06146	0.1
163.03867	0.5
165.01854	1.7
166.02660	0.1
177.00607	0.2
177.05458	0.1
183.02928	0.6
183.04262	0.1
187.03726	0.2
191.03320	0.2
191.07005	0.1
191.14330	0.1
195.02925	0.1
201.05389	0.9
209.15422	0.2
213.05516	0.2
219.01611	0.1
219.06561	0.2
229.04971	3.0
237.02756	0.1
247.06064	0.7
251.36771	0.1
257.04459	2.5
274.04706	0.6
275.05353	0.2
285.03903	1.2
303.04987	100.0
304.05347	2.6
315.04773	0.2
330.56519	0.1
345.06067	0.3
369.06183	0.1
407.68283	0.1
409.15335	0.2
427.16534	0.1
449.10287	0.1
465.10300	27.3
466.10605	1.0
480.71484	0.2
570.24091	0.3
570.75122	0.2
589.21765	0.2
627.15485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.7
55.05516	22.8
56.58116	2.2
57.03434	10.1
61.02908	2.9
65.03918	3.0
67.05176	3.4
67.05508	50.9
69.03417	5.0
69.07075	23.2
70.02431	12.2
71.04986	7.1
73.02908	2.7
79.05492	48.0
81.03411	10.4
81.07059	60.1
83.04970	10.2
83.08626	18.8
85.02908	6.8
85.06546	3.7
86.09739	4.2
91.05489	31.4
93.07050	62.2
95.04974	17.4
95.08614	52.4
97.02891	6.1
97.06525	9.4
97.10162	5.6
98.20744	3.0
99.04445	4.3
105.07024	27.5
107.04951	15.9
107.08596	45.1
109.06490	7.7
109.10139	16.1
111.08069	4.7
115.05357	2.8
117.07039	20.9
119.08585	27.4
121.06499	11.2
121.10158	27.5
123.08087	4.1
125.00004	4.2
125.06023	4.1
125.09614	2.9
129.07019	3.2
130.07774	3.0
131.08542	12.5
133.10139	17.1
135.08044	5.2
135.11696	61.1
137.05981	8.2
143.08540	4.9
145.10120	40.7
147.11702	9.5
149.05911	2.5
149.09634	5.9
149.13266	6.9
155.08470	3.1
157.10144	2.9
159.11685	10.6
161.13289	3.1
163.11186	67.2
171.11717	2.7
173.09790	3.0
173.13301	3.8
175.11095	3.2
177.12733	3.5
181.12221	8.8
184.07355	14.2
189.12723	2.7
209.11650	2.8
227.12784	78.3
253.14699	2.9
255.15988	9.9
257.18976	7.7
259.20538	7.0
267.15759	2.8
269.17502	26.3
275.20096	20.2
283.15411	65.5
291.19400	3.5
299.14944	5.2
331.22610	4.5
333.24249	5.3
349.23727	27.2
367.24887	6.0
410.56113	2.7
437.25195	8.8
463.26816	22.9
477.28476	100.0
539.33563	3.1
557.34827	37.1
575.35834	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	772.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.9
55.05511	39.1
57.03441	23.3
59.05007	36.0
61.02921	4.2
65.03943	3.2
67.05506	93.1
69.03432	13.1
69.07066	16.3
71.01358	2.8
71.04998	25.3
71.58552	3.0
79.05493	50.4
79.05959	3.0
80.05031	2.7
81.03419	100.0
81.07059	51.9
83.04980	20.1
83.08621	31.2
85.02911	16.2
85.06548	9.2
86.09704	5.5
87.04467	32.0
91.05479	57.9
91.06006	4.4
91.70067	2.5
93.07046	42.7
94.06559	3.6
94.07436	2.3
95.04973	47.2
95.08617	25.1
97.02885	10.8
97.06548	11.2
97.10149	21.2
99.04459	13.2
99.08072	3.1
103.05453	2.7
105.07030	33.1
107.04960	22.6
107.08595	31.4
108.08172	4.2
109.02893	7.9
109.06541	10.3
109.10149	56.7
110.09694	4.4
110.35176	2.2
111.04446	14.4
111.08067	15.9
113.06005	3.9
115.05493	2.8
117.07034	14.1
119.04914	5.4
119.08581	28.9
120.08112	5.1
121.02880	3.8
121.06501	10.4
121.10144	27.6
122.06050	3.8
123.04426	7.7
123.08084	7.4
123.11614	2.4
125.00028	4.3
125.09636	16.0
127.03921	6.0
127.07562	2.4
128.06262	3.5
129.07019	15.7
131.04944	6.9
131.08582	32.0
133.06488	9.6
133.10106	18.1
135.04442	6.4
135.07999	5.1
135.11723	12.4
136.07594	2.9
137.05981	30.9
137.09647	3.7
138.06326	5.6
138.09157	5.2
139.11174	3.7
142.07800	4.9
143.08542	3.4
145.02853	3.4
145.06490	5.1
145.10120	13.4
147.04454	8.9
147.08063	8.9
147.11697	16.6
149.06010	3.9
149.09605	20.4
149.13307	3.3
151.07510	5.5
151.11108	2.5
153.09166	2.5
153.12762	11.9
155.08594	2.8
155.10686	3.4
157.10135	24.1
159.08018	3.2
159.11702	5.0
161.06009	5.7
161.09673	3.0
163.07550	8.6
163.11200	17.1
164.15044	2.4
165.12804	3.5
166.08682	6.0
167.07068	9.5
167.10756	2.3
169.10092	2.5
173.06026	3.4
173.09642	6.5
173.11783	12.8
173.13142	3.0
175.07588	3.2
175.11151	12.8
177.05519	7.2
177.09113	3.6
177.12764	3.0
179.07068	4.1
181.12263	7.7
183.11760	3.2
184.07358	18.0
185.13353	5.6
187.11171	3.3
189.09146	2.9
189.11241	10.5
191.06996	2.7
191.10670	10.5
193.08559	4.3
193.10457	4.0
193.12247	63.3
197.13388	2.7
199.13301	5.7
203.14261	3.6
205.12294	2.3
207.13741	3.1
209.11803	14.4
211.11333	4.7
211.13277	49.4
215.10703	2.6
219.13885	4.7
221.15329	3.1
223.13519	2.4
225.14856	12.3
227.12923	19.2
229.12248	2.4
229.14343	38.5
231.13794	5.2
235.13364	4.6
238.10686	2.5
247.13327	8.7
249.14839	16.3
251.11847	4.2
252.12439	2.6
253.13335	4.1
259.15460	2.7
263.12033	3.5
265.13794	3.2
266.13861	2.8
267.15921	74.9
283.15439	17.9
309.12354	3.5
311.13794	2.7
315.18042	5.4
333.19412	3.8
337.21750	6.0
341.15070	2.9
347.20093	2.8
355.22751	9.8
365.20932	11.8
373.23721	6.9
383.22141	26.3
391.24731	2.4
401.23297	23.9
409.25745	3.9
415.24777	6.5
421.25793	30.1
422.26785	2.4
433.25809	9.0
447.27115	2.7
457.25833	7.2
475.27026	40.8
489.28723	4.6
493.27704	12.5
507.22601	2.7
507.29584	31.7
525.30817	13.8
601.23456	3.2
607.23865	2.6
618.24451	4.4
619.24506	5.0
722.28827	2.7
740.28900	2.7
754.31189	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	12.1
55.05264	2.5
55.05511	35.2
57.03440	22.4
59.05005	24.9
61.02920	2.5
62.96416	1.6
65.03943	3.8
67.05510	96.1
69.03433	10.4
69.07060	17.4
69.63052	13.5
71.01357	2.2
71.05000	19.9
79.05499	44.6
79.75377	1.8
81.03420	100.0
81.07062	54.3
83.04991	19.9
83.08622	33.0
85.02906	15.8
85.06537	5.7
87.04471	25.3
91.05486	48.3
93.07050	34.3
94.06598	3.0
95.04974	41.2
95.08619	22.5
97.02901	11.9
97.06524	13.6
97.10183	19.8
98.21392	2.9
98.98473	1.8
99.04470	14.5
99.08131	2.7
103.05465	3.8
105.03400	2.2
105.06390	2.6
105.07042	32.0
107.04965	25.6
107.08601	30.1
108.08114	2.3
109.02882	7.2
109.06538	10.8
109.09456	3.4
109.10162	53.6
110.09669	3.2
111.04462	11.4
111.08082	12.9
113.06024	3.0
115.05482	3.3
117.06302	1.6
117.06992	10.2
119.04971	4.5
119.06084	1.8
119.08589	30.8
121.02857	1.9
121.06525	11.5
121.10145	26.8
122.06021	2.2
123.04466	8.5
123.08056	8.3
123.11722	2.6
125.06052	4.3
125.09651	16.1
127.03910	3.9
128.06259	3.3
129.07013	16.8
131.04958	3.4
131.08597	23.1
133.06456	8.2
133.10138	15.9
135.04414	8.0
135.08066	6.5
135.11722	9.5
136.07591	3.6
137.06001	22.0
137.09616	7.3
138.06305	3.4
138.09160	6.1
139.11128	1.8
141.07028	3.2
142.07765	2.9
143.08586	5.0
145.02872	4.1
145.06509	6.4
145.10117	12.3
147.04404	6.6
147.08043	7.5
147.11667	20.6
149.06068	2.8
149.09636	22.3
151.03951	3.3
151.07614	3.1
152.07143	2.1
153.01781	2.6
153.09120	5.1
153.12752	10.1
155.08556	4.3
155.10667	2.2
157.06485	2.1
157.10141	17.5
159.08008	2.3
159.11688	3.8
161.05969	4.4
161.09654	4.3
161.13306	2.2
163.03972	2.3
163.07494	4.1
163.11197	14.7
165.12744	3.4
166.08638	7.2
167.07069	6.9
167.08543	2.2
167.10672	4.1
169.10149	2.5
171.09979	1.9
171.11557	2.6
173.09685	6.6
173.11757	13.1
173.13116	2.8
175.07553	3.6
175.11194	20.0
177.05455	6.6
177.12698	2.0
179.03146	1.7
181.12283	7.6
184.07368	6.1
185.13295	2.9
187.07581	2.8
187.11180	3.6
189.11227	13.5
189.12772	3.4
191.10689	8.4
193.12251	53.7
199.13316	6.9
201.12865	2.6
203.14308	4.7
205.12263	4.2
209.11687	9.7
211.11412	1.7
211.13306	51.2
217.12238	3.2
217.14238	2.3
223.13342	5.3
225.12813	2.3
225.14876	16.8
227.12790	16.9
229.12225	3.6
229.14359	39.8
231.13850	6.7
235.13214	4.7
238.10786	2.3
239.11874	2.1
239.14352	2.0
241.14380	2.8
247.13319	9.4
249.14902	18.0
251.12126	3.2
255.11334	2.0
259.13184	2.2
259.15546	2.6
263.07260	1.8
263.12085	2.1
263.16422	3.9
265.13431	3.1
267.15936	65.1
268.16318	2.3
273.14719	2.8
283.15439	12.9
285.14792	2.3
286.12949	2.3
293.13113	2.9
295.15305	2.6
309.12411	2.4
309.17105	3.6
311.13846	2.1
313.15924	2.2
315.18054	5.8
321.16983	2.5
337.21616	4.9
347.20047	2.9
355.22614	11.0
365.21225	10.0
373.23654	6.3
383.22101	25.3
401.23151	20.6
415.24673	5.5
419.24277	4.7
421.25827	25.6
422.26331	2.8
433.25555	9.1
447.27521	5.2
453.16599	2.2
457.25870	8.8
459.27490	3.2
465.28732	2.2
475.26865	33.5
489.28687	2.4
493.27744	8.6
507.29498	27.0
525.30865	11.1
601.23450	2.5
607.25238	2.6
619.24475	3.1
735.51013	2.1
772.31525	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.1
55.02053	0.7
55.05411	6.1
55.05715	1.9
57.03334	3.5
57.03650	0.9
57.06985	1.0
57.07230	0.4
61.02818	10.2
61.03172	2.5
65.03843	1.1
67.05392	15.6
67.05793	3.1
69.03314	5.9
69.03719	1.0
69.06954	8.5
69.07376	1.7
69.33746	2.4
69.34173	1.5
69.81063	0.4
71.01244	1.1
71.04874	1.7
72.24159	0.5
73.02795	5.9
73.03239	1.0
79.05369	11.3
79.05882	1.8
81.03293	4.1
81.06929	16.4
81.07465	2.3
82.07307	0.5
83.01244	0.5
83.04865	1.4
83.08492	3.7
85.02775	11.0
85.03345	1.5
85.06436	1.1
86.09595	1.1
87.04357	0.4
91.03816	5.6
91.04452	0.4
91.05348	11.3
91.05986	1.2
93.06909	13.1
93.07566	1.5
94.44108	0.4
95.04835	2.0
95.08468	15.1
95.09146	1.5
96.08872	0.4
97.02754	9.1
97.03422	1.0
97.06396	1.9
97.10036	2.4
98.20773	0.7
99.04313	1.6
99.07985	0.7
101.02245	1.9
104.06106	0.4
105.06886	10.7
105.07659	1.0
107.04796	1.3
107.08447	10.1
107.09235	0.8
109.02761	1.0
109.06377	1.8
109.10009	6.7
111.07928	1.6
111.08641	0.5
111.11626	0.5
115.05357	0.5
117.06869	7.3
117.07748	0.5
119.08430	9.5
119.09341	0.8
121.06349	0.9
121.09992	6.5
123.08067	1.8
123.11539	1.8
125.09480	1.1
126.10851	0.4
127.03883	2.0
127.37083	0.5
128.06049	2.2
129.05371	0.6
129.07010	7.7
131.08565	11.3
132.08882	0.4
133.10123	8.1
133.45695	0.5
135.07924	1.4
135.11685	4.2
137.09511	0.6
137.13127	0.7
139.11082	0.6
141.06984	4.5
142.07581	1.7
143.08571	9.3
144.09167	0.5
145.04834	0.7
145.06363	0.4
145.10124	10.8
147.11697	5.9
149.09482	0.9
149.13246	2.1
151.07539	0.5
151.11081	0.6
153.06857	0.7
154.07602	1.1
155.08556	8.1
156.09189	1.1
157.10132	10.0
159.07994	0.5
159.11693	8.1
161.09473	0.4
161.13249	2.8
163.11104	0.5
163.14700	0.9
165.06839	1.1
166.07707	0.7
167.08545	3.4
168.09158	1.7
169.10126	10.4
171.07883	0.5
171.11694	10.2
172.12080	0.5
173.04355	0.4
173.09534	0.6
173.13255	5.4
175.14659	1.2
177.12651	0.5
177.16246	0.7
179.08365	1.5
180.09256	0.7
181.10149	5.6
182.10516	0.8
183.11696	11.1
184.07317	3.0
184.12222	0.7
185.13251	7.0
187.14781	2.5
189.16255	1.0
191.08322	0.5
191.17842	0.4
192.09187	0.6
193.04865	0.7
193.10178	2.0
194.10814	0.7
195.11693	7.6
196.12180	0.8
197.13251	8.2
199.11111	0.7
199.14842	4.6
201.12605	0.7
201.16235	1.2
203.17728	0.6
205.09987	0.8
207.11702	2.9
208.12366	0.6
209.13261	6.2
210.13770	0.9
211.14816	6.5
212.15401	0.5
213.12845	0.4
213.16425	2.6
215.17766	0.8
219.11504	1.8
221.13332	2.8
222.13783	0.5
223.14850	4.6
225.16400	3.8
227.17813	1.2
233.13124	0.7
235.14899	2.4
236.15408	0.6
237.12747	0.5
237.16438	2.8
239.18036	2.2
241.19447	1.3
247.14629	1.1
249.16170	1.3
251.17815	1.4
253.19333	1.4
255.21230	0.6
257.18814	0.9
259.20337	0.4
261.16364	0.6
261.21994	0.6
263.17847	1.0
265.19324	1.3
267.20966	0.6
271.20206	0.5
275.17612	0.9
275.20215	0.6
277.19308	0.6
279.17136	0.4
279.20712	0.6
283.20398	1.0
293.22546	0.6
295.19989	0.5
297.22043	0.8
299.23526	0.5
305.22250	0.4
307.20123	0.6
309.21979	0.8
313.24924	0.5
321.21967	0.9
323.23523	1.0
325.21585	0.5
325.24988	0.7
333.21704	0.6
335.26041	0.5
337.25003	1.4
339.23169	0.5
349.24960	0.7
351.26669	1.4
355.26062	0.5
363.26855	0.8
365.28104	1.4
367.26071	0.6
369.27863	0.4
377.28143	0.6
379.30063	0.7
381.27289	0.5
403.29858	0.5
407.29111	0.5
419.28949	0.5
421.30896	0.8
423.32880	0.6
429.30975	0.6
435.32147	0.5
447.31961	0.7
473.32904	0.6
485.33755	0.5
487.34357	0.7
499.39532	0.9
501.35400	0.9
515.37939	1.0
517.40302	6.1
518.41449	0.5
521.36401	0.6
525.35352	0.7
527.37683	0.6
529.39630	0.5
535.41669	3.4
539.37738	2.1
540.38013	0.5
541.39288	1.1
545.39063	0.7
567.40424	0.9
573.43085	1.0
591.44177	6.7
607.43604	2.7
608.44891	0.5
609.45117	100.0
610.45581	6.4
621.45410	1.5
633.45190	0.8
643.44061	0.6
651.46283	1.1
699.45996	1.1
717.47247	1.1
735.48071	2.0
753.49475	1.9
771.50372	24.2
772.50873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54891	0.6
55.01805	1.3
55.02033	0.7
55.05423	7.2
55.05715	1.6
57.03344	2.3
57.07013	1.2
61.02834	10.3
61.03171	1.9
67.05406	13.8
67.05807	1.7
69.03328	5.4
69.06968	5.6
69.26084	7.5
71.01268	0.7
71.04912	1.4
71.45895	0.6
73.02815	5.8
73.03252	1.4
75.34513	0.6
76.07466	0.6
77.88239	0.6
79.05386	8.1
81.03315	2.6
81.06951	15.9
81.07467	1.6
83.04882	1.5
83.08511	4.4
85.02793	8.5
86.09698	0.7
87.90321	0.6
91.03842	6.9
91.05370	9.2
93.06934	11.7
93.07571	0.8
95.04856	2.0
95.08492	12.5
97.02779	8.3
97.03442	1.5
97.06439	1.7
97.10050	2.9
98.20705	1.0
99.04341	1.7
99.04922	0.6
101.02289	1.7
105.07027	10.4
107.08465	7.3
109.02823	0.9
109.06396	0.8
109.10152	5.7
111.07951	0.7
117.06894	5.1
119.08578	9.2
119.60604	0.7
121.10143	4.9
123.11617	1.3
125.09533	1.1
127.03790	1.9
128.06096	2.0
128.06981	0.8
129.07014	5.6
131.08575	8.7
133.10135	7.8
135.11717	4.5
141.07007	4.2
142.07617	1.3
143.08566	7.8
144.09244	0.7
145.04851	0.6
145.10120	9.9
147.11674	3.9
149.09537	0.8
149.13167	1.3
153.06758	0.7
155.08557	6.0
156.09206	1.1
157.10109	8.5
159.11707	6.5
161.13116	2.3
163.11058	1.0
163.14644	1.0
167.08507	3.2
168.09355	0.7
169.10136	8.2
171.11678	8.0
173.13239	4.7
175.14691	2.3
179.08418	1.6
180.09294	0.7
181.10159	4.3
182.10814	1.2
183.11693	9.4
184.07213	2.2
185.13281	6.0
186.13490	0.6
187.14702	1.8
189.12750	0.6
193.10040	2.1
195.11711	4.9
197.13271	6.4
199.14824	4.3
205.09976	1.2
207.11577	2.2
209.13231	6.2
211.14780	5.4
213.16287	1.9
215.17763	1.3
219.11635	0.8
221.13112	2.8
223.14845	3.4
225.16408	3.0
227.17912	1.7
235.14745	1.3
237.16270	2.6
239.17799	2.1
241.19493	1.3
247.14906	1.0
249.16199	1.3
251.17728	1.5
253.19579	0.9
265.19281	0.8
281.22626	0.7
311.23615	0.7
335.25986	1.1
351.26804	1.5
365.28409	1.1
377.28412	1.1
379.30008	0.8
391.29926	0.9
435.32388	0.8
447.32541	0.9
475.34628	0.7
487.34946	1.0
499.39456	1.3
501.35776	1.3
513.35748	0.9
515.37921	0.9
517.40454	5.7
527.37616	0.8
534.28027	0.8
535.41412	3.9
539.37311	1.3
541.39130	1.4
573.42468	0.8
591.44208	6.7
607.43542	2.1
608.44128	0.8
609.45154	100.0
610.45465	6.9
611.46490	1.0
621.46033	0.9
651.45734	0.9
735.48645	1.4
753.50226	1.4
771.50476	21.4
772.50995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2339
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.05492	0.7
55.59983	0.3
57.03431	1.9
57.56025	0.3
59.04986	0.4
61.02921	1.5
66.05396	0.3
69.03435	1.4
70.15301	1.5
71.01365	0.4
71.04994	12.9
73.02908	1.1
75.04481	0.8
81.03409	0.8
83.04987	3.5
85.02906	19.3
85.42179	0.3
87.04482	0.5
91.03987	0.7
93.03412	0.4
95.04984	0.6
97.02886	1.1
97.06514	0.7
99.04434	0.7
109.02892	0.4
111.04443	2.2
113.06000	0.5
117.05485	0.5
121.02894	0.8
123.04410	0.3
127.03923	0.8
129.05486	5.8
135.04420	0.4
137.02298	0.4
137.05971	0.9
139.03900	0.9
145.04942	0.9
147.04411	0.5
147.06517	2.2
151.03894	0.8
153.01826	3.6
153.05411	1.0
159.06560	0.3
163.03900	0.5
163.06029	0.5
171.06577	0.3
201.05495	0.3
201.93750	0.3
203.62051	0.3
218.05527	0.4
228.04280	0.6
229.04932	2.0
239.09140	1.2
245.04489	0.4
246.05247	1.1
255.08655	0.5
257.04483	2.1
257.10117	0.8
273.03949	1.1
274.04697	2.8
275.11121	0.6
285.03943	3.2
293.12244	0.6
302.04227	9.4
303.05051	1.3
304.05295	0.4
317.06567	100.0
318.06998	1.8
329.06717	0.5
351.47028	0.3
359.07764	0.8
383.07870	0.3
463.12393	0.9
479.11963	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	771.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16327	1.4
54.42425	1.4
55.01888	2.9
55.05525	3.0
65.03948	3.6
66.23234	1.7
67.05500	13.0
69.03426	6.2
69.07061	3.7
69.47765	14.6
70.06578	1.7
71.04970	1.9
79.05487	6.1
79.93227	1.5
80.05013	4.0
81.03414	36.4
81.07045	7.2
83.04985	2.7
85.02896	6.3
85.06528	1.8
86.09718	1.8
91.05483	10.5
93.07040	17.5
94.06577	23.3
95.04972	7.1
95.06815	1.9
95.07366	11.7
95.08617	4.4
96.08129	26.7
97.02892	4.3
97.06549	4.5
97.10169	1.9
98.20783	3.2
103.05438	2.9
105.07027	3.4
106.06561	2.0
107.04923	3.0
107.08565	2.6
108.04478	6.7
108.08115	38.3
109.02877	64.6
109.08910	1.9
109.10165	4.0
110.09683	49.3
111.04460	3.7
117.06982	1.9
119.08617	2.8
120.08102	41.5
121.06528	4.4
121.10155	2.2
122.06031	23.1
122.09669	4.5
124.07638	3.7
127.03913	6.4
130.06508	2.1
131.05000	1.6
131.07231	2.2
131.08594	2.3
132.04459	2.7
132.08086	3.8
133.10133	1.7
134.06017	4.0
136.07574	24.2
137.05965	6.5
138.09134	59.4
139.03886	4.4
144.08055	2.4
145.02908	2.6
145.10127	2.4
146.06068	3.1
148.07565	15.7
150.09164	4.8
151.03908	1.7
152.07054	6.0
159.09204	2.8
160.03944	9.1
160.07594	1.9
163.03995	2.1
164.07068	5.5
166.08638	67.7
167.07153	2.2
172.03934	3.7
172.07515	2.9
174.05612	1.8
177.05489	3.6
184.07451	2.8
188.07094	2.0
190.05040	3.2
196.07562	2.4
198.09174	2.2
199.08707	4.4
202.08644	2.3
204.06596	6.1
206.08223	1.8
209.10770	2.0
211.08588	8.3
211.12196	3.3
212.09395	3.2
213.10248	11.0
216.10289	2.6
221.10735	3.5
222.11565	3.6
223.08701	13.0
223.12085	3.6
224.09381	3.4
224.13071	2.7
225.10234	54.8
225.13808	3.4
226.09032	2.6
226.10959	12.9
227.08128	4.4
227.11728	12.1
228.10397	1.9
234.11378	2.2
235.08652	6.3
235.12296	3.9
236.09402	5.6
237.10236	26.8
237.13902	5.1
238.10951	14.3
239.08180	15.2
239.11761	43.6
240.12469	7.8
241.13322	4.1
244.09760	4.3
246.11343	3.1
248.09387	3.5
249.10234	12.3
250.11003	12.7
251.08170	10.6
251.11784	50.5
252.09023	4.8
252.12457	12.7
253.09752	60.5
253.13368	32.2
254.08183	2.5
254.10548	11.2
254.14098	2.7
255.11273	4.1
262.11038	2.3
263.11789	26.8
264.08820	3.9
264.12521	8.9
265.09772	34.9
265.13397	40.4
266.10480	14.1
266.14111	4.9
267.11301	24.4
267.14957	5.3
268.06021	2.1
268.11951	4.3
269.09277	2.8
269.12830	6.7
270.10233	2.1
271.10736	5.9
273.05606	2.7
274.10931	2.3
277.09732	7.0
277.13196	3.9
278.10596	6.3
279.11307	30.3
279.14362	2.9
280.11972	5.4
281.12830	51.8
281.15814	3.1
282.10303	2.4
282.13489	3.9
283.10742	20.3
283.14139	3.3
284.11627	11.3
285.12350	20.9
286.13071	4.3
289.09448	1.6
291.11359	15.6
291.14606	3.1
292.12051	8.2
293.12845	18.8
294.13483	3.3
295.10834	5.6
295.14523	5.8
296.11548	4.8
296.14758	1.8
297.12338	32.9
298.13113	15.3
299.13959	12.0
301.13290	1.7
305.12799	3.4
306.09937	1.9
306.13327	1.9
307.10779	7.7
309.12326	35.3
310.13049	8.2
311.10599	2.6
311.13898	22.7
313.15448	4.7
315.14105	2.1
319.10770	9.9
319.14252	2.6
321.12225	10.1
322.13297	2.4
323.13901	7.4
323.75934	1.9
324.11069	2.6
324.14719	2.6
325.11771	9.6
325.15506	7.5
326.12637	14.7
327.13333	11.2
328.14404	2.8
329.12286	2.2
331.17560	1.8
333.12167	1.9
335.13992	2.4
336.11032	2.4
337.11829	14.1
337.15469	3.0
338.12637	6.3
339.13397	9.4
339.16940	3.8
341.15024	17.7
344.13907	2.0
344.17798	1.9
347.10239	2.0
347.13980	4.0
351.13284	3.5
351.17114	4.8
353.15076	6.7
356.13672	4.8
357.14496	29.0
358.15298	5.9
359.16299	2.2
361.11624	3.5
361.15631	3.6
362.12430	2.6
367.16586	3.7
368.13757	3.2
369.14578	15.2
371.16086	8.9
372.17059	3.0
375.13522	2.1
377.14828	2.4
379.16693	2.7
383.16245	2.3
386.18866	3.6
389.14828	5.5
390.16000	1.8
391.16620	3.2
393.14383	6.8
394.15201	2.4
397.17542	3.5
402.18192	2.5
405.14511	3.4
407.15982	15.5
409.17468	7.9
411.15002	10.6
414.18167	5.5
416.19794	3.9
417.14499	12.5
418.17337	7.8
419.16400	6.4
425.17090	19.0
430.17709	4.2
431.18344	7.7
432.19174	6.7
433.13840	3.7
434.20816	2.4
435.15524	100.0
436.16055	4.0
437.17209	8.4
442.17746	3.1
447.15329	4.6
448.18817	2.4
453.16571	51.5
459.17950	11.2
460.18576	4.8
462.20197	4.9
463.14743	3.2
465.16599	15.8
466.17343	13.7
467.18198	39.1
468.19299	2.5
474.19919	6.7
477.16757	19.7
479.18246	28.7
480.20981	3.7
483.17532	4.6
484.18192	3.2
485.19220	16.5
486.19376	2.8
491.20557	9.8
492.21500	11.8
495.17548	15.7
497.19128	30.8
506.22607	3.1
522.22394	21.4
523.22278	2.2
534.22290	2.3
538.19836	5.5
540.21057	5.1
542.23236	2.3
556.20807	30.2
558.21979	4.9
568.20837	24.9
574.21777	19.1
586.21680	22.5
588.23419	76.0
589.23749	2.8
590.24963	2.4
600.23413	74.4
601.23792	4.1
606.24445	52.3
607.23993	2.3
614.25165	2.2
618.24438	79.7
619.24768	3.8
627.27692	2.2
631.25055	5.2
632.25818	6.6
649.25873	5.3
650.26855	6.6
693.29047	4.2
703.28217	3.6
707.30359	5.7
721.28748	10.2
725.31757	10.5
735.29944	4.8
739.29694	7.8
753.31189	9.4
771.31116	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	770.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.8
55.05514	34.5
57.03438	12.5
57.07081	3.2
65.03925	5.9
67.05505	85.6
69.03426	7.0
69.07069	37.4
69.60025	2.5
70.83494	2.1
70.84818	8.1
71.01371	2.9
71.04987	5.8
79.05491	89.0
80.87891	2.3
81.03414	18.4
81.07059	84.5
83.04977	19.6
83.08617	17.9
85.02902	5.1
85.06540	5.3
86.09708	3.8
91.05482	79.0
93.06471	4.9
93.07046	93.6
93.96339	2.5
95.04972	27.8
95.08603	44.0
97.02895	5.3
97.06535	18.7
97.10172	13.8
105.04513	2.3
105.07021	66.3
107.04933	13.5
107.08595	34.3
109.02845	3.0
109.06499	10.0
109.07180	2.3
109.10143	14.6
111.08064	5.8
115.05386	2.6
115.41031	3.0
117.07016	24.1
119.08578	45.0
119.97881	2.5
121.06496	4.8
121.10128	14.5
123.08049	6.8
125.09603	6.9
128.06215	4.1
129.06998	14.7
130.73329	2.2
131.08583	17.6
133.10136	28.1
135.08031	6.0
135.11664	12.5
141.06955	3.2
143.08527	10.4
145.10139	22.9
147.08018	2.9
147.11674	41.7
149.09586	14.3
149.13205	5.8
152.75989	2.5
155.08563	5.7
157.10156	2.8
159.11693	13.0
161.09642	6.5
161.13275	16.3
163.11188	7.6
169.10052	3.0
171.11694	25.0
173.13202	4.9
177.12744	3.5
179.14278	4.3
184.07283	4.0
187.11095	2.8
189.11189	3.7
189.12654	12.7
195.13858	3.5
207.13799	21.6
216.43298	2.4
227.12785	17.8
239.17924	3.6
255.15906	7.3
257.18958	9.5
269.17480	15.1
275.20090	35.2
281.17459	70.8
293.21060	3.0
307.14709	2.3
349.23746	30.1
367.24747	3.5
374.38489	2.4
398.29068	2.8
435.27365	6.9
457.28464	2.6
461.28909	29.4
475.30548	100.0
515.33893	3.5
515.66467	2.9
537.35876	3.7
555.36798	63.2
573.37170	9.8
757.09460	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
55.05511	20.0
57.03436	7.7
57.07064	2.5
61.02931	8.5
65.03935	11.2
67.05506	39.6
69.03431	18.8
69.07072	15.3
71.01350	1.8
71.05000	5.6
73.02920	5.8
79.05495	31.5
81.03422	27.9
81.07059	40.9
83.04991	7.0
83.08618	9.4
85.02908	11.8
85.06549	2.4
87.04510	1.0
91.03957	3.1
91.05483	35.8
93.07043	33.2
95.04971	10.7
95.08608	27.3
97.02895	14.5
97.06528	4.4
97.10181	4.0
98.21510	1.7
99.04459	5.3
99.08090	1.2
101.02400	1.4
103.03966	1.3
103.05470	2.7
105.03367	1.1
105.07034	34.2
106.07369	1.1
107.04956	4.0
107.08599	20.4
107.09302	1.4
109.02912	5.0
109.06529	3.6
109.10167	12.6
111.04441	2.8
111.08083	2.6
115.03943	0.9
115.05437	3.2
117.07021	16.7
119.08586	24.8
121.02896	3.4
121.06541	4.0
121.10137	12.2
123.04502	1.0
123.08082	3.7
123.11709	2.8
125.09647	2.0
127.03870	4.4
128.06241	3.9
129.05486	3.1
129.07007	13.2
130.07823	1.3
131.05074	0.9
131.08577	20.8
131.09526	1.5
133.06477	1.3
133.10136	16.3
135.08070	2.9
135.11690	5.9
136.01530	1.0
137.09625	1.5
139.03880	5.1
141.06993	6.9
141.30125	0.8
142.07826	3.3
143.08559	13.1
143.09550	1.2
144.09344	1.4
145.04929	1.1
145.06506	2.0
145.10120	17.1
147.04443	1.7
147.08083	2.6
147.11684	11.4
149.02350	99.9
149.03378	6.2
149.09665	3.4
149.13315	3.2
150.02661	5.3
151.07640	0.8
151.11150	1.0
153.07037	2.7
154.07768	1.7
155.08556	10.7
156.09337	1.5
157.06497	1.6
157.10146	14.4
159.08093	2.0
159.11694	13.5
161.09608	2.0
161.13220	4.2
163.11156	2.6
165.07007	2.2
165.12825	1.0
165.49471	0.8
167.08557	7.6
168.09352	2.4
169.10123	13.4
170.10851	1.1
171.08078	1.8
171.11700	11.9
173.04469	10.1
173.09624	1.4
173.13248	7.4
175.03923	1.4
175.11217	1.5
175.14793	2.0
177.12743	1.8
179.08583	3.7
180.09329	1.3
181.10110	9.1
182.10919	1.3
183.08171	1.3
183.11688	12.1
184.07414	3.0
185.09660	1.6
185.13249	9.1
187.11156	1.7
187.14856	3.3
189.12679	1.1
189.16444	1.6
192.09392	1.2
193.04967	100.0
193.10001	5.5
194.05289	6.1
194.10884	1.5
195.11678	9.7
197.09676	1.4
197.13283	8.2
199.11201	2.1
199.14882	3.6
201.12785	1.4
201.16467	2.5
205.10272	1.4
206.10956	1.6
207.11690	5.3
209.09749	1.3
209.13246	7.9
211.14819	4.6
213.12888	1.8
213.16475	3.9
215.14336	1.6
219.06660	1.2
219.11679	2.6
221.13368	5.8
223.14830	5.4
225.12758	1.6
225.16449	3.2
225.96904	0.9
227.14441	1.4
227.17984	2.0
227.20184	1.4
231.11731	1.3
233.13353	3.0
233.15427	1.1
234.14143	1.3
235.14859	5.4
237.07605	1.4
237.16483	4.6
239.17981	2.0
241.16060	1.1
241.19553	2.3
245.18982	1.3
247.14853	1.6
249.16486	1.1
251.18033	1.9
253.19763	1.1
257.18912	2.0
259.20645	3.4
263.17996	1.1
265.19601	1.8
269.19138	1.4
271.20676	2.0
275.20135	8.9
277.19455	1.3
283.20776	1.0
285.22092	0.9
295.20728	1.1
301.21655	1.1
307.20718	1.0
309.22180	1.1
311.19830	1.2
315.23389	1.9
321.22025	1.2
323.23672	1.2
325.21497	1.3
331.23108	1.2
337.21664	1.0
339.23279	2.1
341.06552	3.1
349.21426	1.0
349.24738	1.3
356.01855	1.0
359.07703	1.5
361.25446	1.5
367.22824	2.5
385.09207	4.6
385.23984	2.2
403.25095	1.2
441.26572	1.8
445.31024	1.0
459.27615	1.5
471.31891	0.9
497.37604	1.2
513.36401	1.9
515.39008	3.7
525.35980	1.2
527.37341	1.2
533.39850	1.7
537.35345	1.5
577.12982	1.1
589.42499	2.9
592.44586	2.9
605.41626	1.1
607.43555	55.7
608.44171	2.5
609.45135	2.0
625.44934	3.2
635.39282	1.4
637.43280	0.9
649.44458	1.3
671.41492	4.6
715.45941	1.8
722.48138	1.0
733.46680	4.9
751.47705	5.2
769.17773	12.1
769.48798	32.3
770.17963	3.4
770.49420	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.7
58.06618	0.5
59.07368	0.5
60.08159	5.9
60.36107	0.4
61.49215	0.5
67.05489	1.3
69.42313	0.4
69.55674	1.6
69.56103	1.4
71.07373	2.7
79.05470	0.8
81.07060	1.1
83.08634	0.5
86.09705	26.4
87.09995	0.4
91.05499	0.5
93.07021	0.6
94.24713	0.4
95.08591	0.4
96.40406	0.4
97.47538	0.4
98.98459	1.6
104.10750	2.1
109.10162	0.5
123.53099	0.4
124.99079	0.9
125.00000	17.5
143.01151	0.4
151.09962	0.4
166.02672	0.4
184.07339	100.0
185.07603	0.7
210.45924	0.4
258.85922	0.4
278.93640	0.4
292.17752	0.5
311.42273	0.4
384.19543	0.4
672.42316	6.7
672.90326	0.5
762.45776	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	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.47039	0.4
55.05501	1.8
57.03434	2.2
57.07071	1.4
59.04967	0.8
60.08153	0.7
61.02641	0.7
61.02930	8.7
67.05508	6.8
69.03428	5.1
69.07076	1.8
70.77679	1.7
71.01347	0.5
71.04990	0.9
71.07360	0.6
71.08627	3.7
73.02935	4.9
74.19073	0.4
75.29440	0.4
76.42322	0.5
79.05496	5.4
79.64740	0.5
81.03419	2.6
81.07060	7.5
83.04926	0.5
83.08617	1.9
85.02907	7.8
85.10184	1.3
85.65046	0.5
86.09705	2.8
87.04479	1.2
87.64213	0.4
89.06023	2.5
91.03971	5.2
91.05486	2.4
93.00128	0.5
93.07044	5.4
95.04980	1.6
95.08612	5.6
97.02899	7.9
97.06554	1.0
99.04484	1.2
101.02386	1.8
105.07047	1.7
107.05004	1.0
107.08605	3.4
109.02870	1.1
109.10171	2.2
117.07041	1.2
119.08609	1.4
121.10153	2.1
123.11723	1.0
124.99988	2.1
127.03935	2.5
131.08617	1.3
133.07701	0.5
133.08635	2.2
133.10094	1.1
135.11679	3.0
145.10156	2.3
147.11664	0.5
152.35391	0.4
159.11708	0.6
163.11238	2.7
168.36320	0.6
175.14937	0.6
177.11224	0.7
181.12302	0.5
184.07344	11.2
185.04134	0.5
227.12859	1.5
243.08434	2.7
249.11031	11.0
255.95659	0.5
261.22205	0.6
267.10889	0.9
285.11850	1.1
301.20102	0.8
305.13699	1.3
309.11661	0.5
323.14233	0.6
335.25702	0.7
407.72519	0.6
461.91757	0.5
467.19101	4.9
485.20056	1.8
519.29321	10.2
583.36047	0.6
632.02240	0.5
745.41327	27.6
746.41907	2.2
763.42358	100.0
764.42670	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	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05502	1.5
57.03444	1.1
61.02923	3.0
65.03932	0.7
67.05503	2.9
69.03419	1.8
69.07066	1.4
69.43504	3.1
69.43933	2.6
71.04993	1.0
73.02915	3.2
79.05505	3.7
81.03380	0.8
81.07065	3.8
85.02936	3.7
91.03947	1.7
91.05479	2.9
93.07034	4.1
95.04992	1.0
95.08610	3.2
97.02903	2.8
99.04462	0.9
101.02384	1.9
105.07035	2.1
107.08614	2.7
109.10143	1.2
117.07061	1.1
119.08608	2.2
121.10192	1.9
127.03897	1.4
129.05400	0.7
131.08551	0.7
133.10155	1.6
135.11688	3.7
145.10138	2.0
147.11699	1.3
163.11139	4.1
184.07291	3.2
185.04266	1.1
227.12805	4.3
242.10522	0.6
243.08435	3.0
249.10974	8.2
275.12772	0.7
301.09161	2.3
305.13525	1.8
315.10510	0.8
342.28830	0.8
371.16605	0.9
373.11212	0.9
387.72964	0.8
467.18848	14.8
468.19318	0.7
535.28778	6.2
539.21484	3.1
761.40717	100.0
762.41101	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	762.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.5
58.06621	0.5
59.07402	0.2
60.07872	0.4
60.08163	5.5
63.33000	0.2
64.90826	0.2
67.05507	0.7
71.07375	2.9
71.58805	0.2
81.07056	0.6
86.09706	28.1
91.05450	0.2
93.07026	0.4
95.08593	0.3
98.98468	2.3
99.65682	0.2
104.10741	2.4
109.10116	0.3
112.49915	0.2
119.08608	0.3
121.10144	0.2
125.00004	17.2
143.01093	0.4
166.02583	0.3
184.07339	100.0
185.07674	0.5
243.29773	0.2
300.54700	0.2
672.42377	10.3
673.41180	0.4
744.44397	0.2
762.45441	5.0
763.42743	0.4
776.59717	0.2
779.91418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21981	0.9
56.15666	1.0
58.90022	1.0
63.45618	1.0
67.05493	3.9
69.07058	1.1
71.58161	0.9
73.24738	1.0
79.05489	1.9
81.03445	0.9
81.07069	3.6
83.04967	1.1
83.08644	1.7
91.05486	1.6
93.07032	2.3
95.04988	1.3
95.08607	1.6
96.98016	1.0
105.07026	1.4
107.08590	1.4
109.10159	2.5
116.01247	1.0
147.11678	1.1
163.56552	1.0
184.07399	2.1
209.11789	1.1
302.16687	1.5
335.25931	1.2
337.27490	1.4
338.27771	1.1
546.38251	1.4
564.39227	1.5
761.38690	100.0
762.39514	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	761.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
63.70822	0.6
65.36437	0.7
67.05499	2.2
69.07051	0.9
79.05482	1.6
81.07063	2.8
83.08643	0.7
91.05471	1.4
93.07056	1.4
95.08614	1.5
95.59940	0.6
107.08588	0.7
119.08585	0.8
131.00183	0.7
150.06700	0.6
163.11172	0.8
166.61641	0.8
184.07405	1.4
301.16492	1.2
302.16852	0.9
335.26025	0.8
337.27219	1.1
338.27615	1.0
386.47150	0.8
638.25732	0.9
761.38684	100.0
762.38922	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	761.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01867	0.8
55.05510	0.8
56.96555	0.3
57.03443	1.5
57.07048	0.5
59.04992	1.2
61.02929	4.2
65.03901	0.3
67.05511	3.1
67.72828	0.3
69.03424	3.0
69.07056	1.0
70.89758	0.7
70.90136	0.6
71.01344	0.3
71.04994	2.6
71.31616	0.3
73.02911	2.7
74.67913	0.3
79.05494	2.4
81.03419	6.1
81.07053	3.9
83.04983	1.2
83.05843	0.3
83.08614	1.4
85.02903	5.4
85.06561	0.8
86.09688	0.5
87.04470	0.9
91.03960	2.0
91.05480	4.0
93.07034	2.7
95.04964	2.0
95.08611	1.8
97.02892	3.7
97.06538	1.3
99.04449	0.5
101.02391	1.2
103.03942	0.8
103.05494	0.5
105.07022	2.9
107.04973	1.9
107.08598	2.2
109.02889	1.9
109.06524	0.9
109.10114	0.7
111.04435	0.3
111.08117	0.8
113.05980	0.3
115.05494	0.3
117.07039	0.6
119.04960	0.8
119.08576	1.9
121.06502	0.8
121.10139	3.0
122.05991	0.6
122.09646	0.5
123.08102	0.7
125.09692	0.3
127.03895	2.0
129.07007	1.2
131.04935	0.7
131.08574	2.7
133.06523	0.7
133.10153	2.2
135.11787	0.4
136.07616	0.5
137.05962	3.0
138.06450	0.4
138.09148	0.3
145.02855	0.6
145.06491	0.5
145.10124	0.4
147.04431	2.7
147.08061	0.5
147.11676	2.3
149.09616	3.0
151.03922	0.6
151.07600	0.3
157.10085	1.5
159.11752	0.3
163.03874	0.6
163.07631	0.7
163.11212	0.5
166.08623	0.6
167.07111	1.4
167.10738	0.4
175.07574	0.5
175.11110	1.6
177.05516	1.4
179.07072	0.5
181.05016	0.8
184.07370	0.7
191.07079	0.6
193.08699	0.4
193.12236	3.3
194.09206	0.3
197.15346	0.7
198.87437	0.4
199.13660	0.3
205.08635	0.4
211.13354	0.4
225.14896	1.1
225.65479	0.3
233.11580	0.5
234.12009	0.3
239.11752	0.5
243.08331	2.2
251.11794	0.8
253.13651	0.5
263.11768	0.5
265.13492	0.8
267.15970	1.8
281.12943	0.6
283.10532	0.4
283.15186	7.2
283.18094	0.5
293.12683	0.4
339.17764	2.0
353.15137	0.4
411.15424	0.6
413.17282	1.2
441.21265	0.4
469.20584	1.5
471.17828	1.0
473.19354	0.6
501.23068	34.5
502.23492	0.8
562.22687	0.4
588.23627	0.5
594.24329	3.2
657.30841	0.4
725.31763	2.5
743.31927	0.4
761.39246	100.0
762.39673	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	760.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01868	0.2
55.05509	1.8
56.05036	0.5
57.03443	1.5
58.06606	0.4
60.08165	6.3
61.02920	0.2
67.05167	0.4
67.05505	5.6
69.03415	0.4
69.07076	1.2
70.06583	0.2
71.05040	0.2
71.07376	2.9
73.60848	0.2
79.05492	3.9
80.09251	0.2
81.03420	6.7
81.07059	5.7
83.04955	0.5
83.08619	1.7
85.02879	0.2
86.09708	32.1
91.05489	3.5
93.07050	4.1
95.04967	2.7
95.08601	3.7
97.02902	0.3
97.06519	0.4
97.10185	0.6
98.98460	3.0
98.99051	0.3
104.10744	2.7
105.07037	2.2
107.04957	0.9
107.08600	2.1
109.06496	0.6
109.10165	1.6
111.08083	0.7
115.05432	0.3
117.07023	1.0
119.08588	2.7
121.06499	0.3
121.10139	2.4
123.08081	0.2
123.11685	0.6
125.00005	21.8
125.09639	0.6
129.07024	1.0
129.99831	0.2
131.08554	1.5
133.06525	0.3
133.10126	1.5
135.08044	0.3
135.11696	0.8
142.07736	0.3
143.01019	0.3
145.10127	0.7
147.08069	0.3
147.11676	1.2
149.09593	0.5
149.13264	0.8
157.10092	0.9
159.11665	0.6
161.13210	0.4
163.14833	0.4
165.12823	0.2
166.02541	0.3
173.13283	0.5
175.11157	0.7
175.14740	0.3
184.07343	100.0
185.07639	0.5
193.12238	2.0
197.13214	0.2
211.13248	0.3
227.12741	0.5
234.71176	0.2
243.21039	0.6
247.17043	0.2
261.22110	1.3
267.15924	7.4
271.20554	0.2
285.16882	0.2
299.23438	0.3
301.25232	0.5
317.24786	0.3
335.25815	7.1
337.27264	0.2
345.00916	0.2
349.50488	0.2
421.25687	0.4
435.32690	0.4
453.33286	0.7
527.37372	5.4
545.30750	0.3
545.38373	5.4
563.39398	0.5
569.37622	0.3
710.43951	8.4
711.43640	0.2
760.42377	0.3
761.41461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.54299	0.3
54.03466	0.7
55.01868	0.9
55.05494	0.3
57.03426	1.0
61.02926	0.4
65.03950	0.4
66.49646	0.3
67.05493	0.5
68.05017	0.3
69.03428	1.0
69.07069	1.6
70.06610	0.4
71.04995	4.1
71.59171	0.4
79.05495	1.8
80.04999	0.8
81.03413	1.5
82.35636	0.3
83.04972	0.5
85.02432	0.4
85.02908	6.3
88.31342	0.3
91.03877	0.3
91.05484	1.7
95.04981	0.6
97.02893	1.3
97.06534	16.5
98.91398	0.3
98.97569	0.3
99.04449	0.9
103.03928	0.4
105.03374	0.4
107.04957	0.8
108.04499	0.7
109.02867	0.9
111.04436	0.3
119.04941	1.2
119.08590	0.4
121.02879	0.8
122.06026	0.8
123.04431	0.7
127.03897	1.5
129.05466	1.4
132.04488	0.7
133.10106	0.3
133.99522	0.3
134.05997	0.3
134.93260	0.3
135.04410	1.2
137.02348	19.3
137.03320	0.8
137.05977	12.0
145.04956	0.6
145.10110	0.3
146.06053	0.4
147.04390	1.4
149.02333	0.5
149.06013	0.7
150.05479	1.9
151.05202	0.3
151.06285	1.7
151.07304	0.3
152.07068	1.1
153.01793	0.5
163.03888	0.7
164.07054	0.6
165.01865	0.3
166.69048	0.3
167.07028	0.3
171.04454	0.4
174.03249	0.3
174.05521	0.7
177.05504	0.3
187.03870	0.9
189.09143	1.3
199.03941	0.5
201.05492	1.2
203.03372	0.5
204.10089	0.4
210.05554	0.4
211.03888	2.8
212.07057	0.7
213.02136	0.4
215.03427	2.0
217.04909	0.4
227.03406	0.8
228.06691	0.6
229.05000	1.2
233.11731	16.0
239.03450	0.9
240.06621	0.8
244.06023	0.3
248.12874	1.0
249.13245	0.5
250.14395	18.4
252.06721	0.4
255.02914	0.6
256.06076	1.4
263.07117	0.6
266.04285	0.3
269.04425	0.5
270.07578	0.5
275.06818	0.4
279.06647	0.3
280.05948	0.5
281.07944	0.7
284.05484	0.8
287.05478	0.7
291.06433	0.7
303.04913	8.0
304.05365	1.3
305.05347	0.6
306.05661	0.3
309.07614	0.8
315.05017	2.6
319.06088	0.4
321.07639	0.8
325.06921	0.6
327.05060	0.6
331.06097	0.6
336.08661	0.7
337.07001	1.7
339.05112	1.1
347.05893	0.4
349.07016	1.9
350.10284	0.4
353.06506	2.1
359.16135	0.3
360.08868	0.5
361.06958	0.4
363.04849	3.3
364.08234	1.0
365.06570	20.3
366.07162	1.3
366.82922	0.3
377.06573	23.4
378.06235	0.7
378.10178	0.8
379.08289	1.8
380.07727	0.6
381.06027	0.8
388.08154	0.6
389.06552	2.1
391.07404	2.0
392.07571	1.8
393.05939	0.9
404.07727	0.8
405.06021	4.6
406.09274	20.1
407.08456	0.6
409.05664	2.7
416.07785	1.0
418.22412	0.3
419.06451	1.2
423.06824	1.6
424.10477	0.4
434.08731	100.0
435.08984	3.0
448.10709	0.8
451.10315	0.5
452.09799	31.8
453.10025	0.8
464.10150	0.4
476.09833	2.6
518.11005	1.7
544.12524	0.5
552.14661	0.4
562.12946	0.6
568.15027	0.4
580.14917	1.6
596.14069	8.7
598.15558	0.6
614.15021	11.0
615.15631	0.4
638.15009	1.0
680.15985	0.5
742.19366	7.7
760.20697	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	760.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.54299	0.3
54.03466	0.7
55.01868	0.9
55.05494	0.3
57.03426	1.0
61.02926	0.4
65.03950	0.4
66.49646	0.3
67.05493	0.5
68.05017	0.3
69.03428	1.0
69.07069	1.6
70.06610	0.4
71.04995	4.1
71.59171	0.4
79.05495	1.8
80.04999	0.8
81.03413	1.5
82.35636	0.3
83.04972	0.5
85.02432	0.4
85.02908	6.3
88.31342	0.3
91.03877	0.3
91.05484	1.7
95.04981	0.6
97.02893	1.3
97.06534	16.5
98.91398	0.3
98.97569	0.3
99.04449	0.9
103.03928	0.4
105.03374	0.4
107.04957	0.8
108.04499	0.7
109.02867	0.9
111.04436	0.3
119.04941	1.2
119.08590	0.4
121.02879	0.8
122.06026	0.8
123.04431	0.7
127.03897	1.5
129.05466	1.4
132.04488	0.7
133.10106	0.3
133.99522	0.3
134.05997	0.3
134.93260	0.3
135.04410	1.2
137.02348	19.3
137.03320	0.8
137.05977	12.0
145.04956	0.6
145.10110	0.3
146.06053	0.4
147.04390	1.4
149.02333	0.5
149.06013	0.7
150.05479	1.9
151.05202	0.3
151.06285	1.7
151.07304	0.3
152.07068	1.1
153.01793	0.5
163.03888	0.7
164.07054	0.6
165.01865	0.3
166.69048	0.3
167.07028	0.3
171.04454	0.4
174.03249	0.3
174.05521	0.7
177.05504	0.3
187.03870	0.9
189.09143	1.3
199.03941	0.5
201.05492	1.2
203.03372	0.5
204.10089	0.4
210.05554	0.4
211.03888	2.8
212.07057	0.7
213.02136	0.4
215.03427	2.0
217.04909	0.4
227.03406	0.8
228.06691	0.6
229.05000	1.2
233.11731	16.0
239.03450	0.9
240.06621	0.8
244.06023	0.3
248.12874	1.0
249.13245	0.5
250.14395	18.4
252.06721	0.4
255.02914	0.6
256.06076	1.4
263.07117	0.6
266.04285	0.3
269.04425	0.5
270.07578	0.5
275.06818	0.4
279.06647	0.3
280.05948	0.5
281.07944	0.7
284.05484	0.8
287.05478	0.7
291.06433	0.7
303.04913	8.0
304.05365	1.3
305.05347	0.6
306.05661	0.3
309.07614	0.8
315.05017	2.6
319.06088	0.4
321.07639	0.8
325.06921	0.6
327.05060	0.6
331.06097	0.6
336.08661	0.7
337.07001	1.7
339.05112	1.1
347.05893	0.4
349.07016	1.9
350.10284	0.4
353.06506	2.1
359.16135	0.3
360.08868	0.5
361.06958	0.4
363.04849	3.3
364.08234	1.0
365.06570	20.3
366.07162	1.3
366.82922	0.3
377.06573	23.4
378.06235	0.7
378.10178	0.8
379.08289	1.8
380.07727	0.6
381.06027	0.8
388.08154	0.6
389.06552	2.1
391.07404	2.0
392.07571	1.8
393.05939	0.9
404.07727	0.8
405.06021	4.6
406.09274	20.1
407.08456	0.6
409.05664	2.7
416.07785	1.0
418.22412	0.3
419.06451	1.2
423.06824	1.6
424.10477	0.4
434.08731	100.0
435.08984	3.0
448.10709	0.8
451.10315	0.5
452.09799	31.8
453.10025	0.8
464.10150	0.4
476.09833	2.6
518.11005	1.7
544.12524	0.5
552.14661	0.4
562.12946	0.6
568.15027	0.4
580.14917	1.6
596.14069	8.7
598.15558	0.6
614.15021	11.0
615.15631	0.4
638.15009	1.0
680.15985	0.5
742.19366	7.7
760.20697	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
53.28694	2.2
55.01856	7.6
55.05511	29.9
57.03442	21.5
57.07061	2.7
61.02910	8.5
65.89328	2.1
67.05505	100.0
68.05817	4.4
69.03426	3.4
69.07065	22.4
71.01347	3.0
71.03846	6.3
71.04978	5.4
73.02921	3.1
74.22872	2.4
76.81123	2.2
79.05061	5.1
79.05493	72.4
80.05817	5.2
81.03427	14.5
81.07056	94.0
82.07377	7.6
83.04987	21.2
83.08624	16.6
85.02892	11.3
85.06532	3.1
86.09700	3.8
91.05474	48.5
92.05801	2.8
93.06469	4.8
93.07043	85.6
94.07343	4.4
94.57417	2.3
95.04971	15.8
95.08606	66.0
96.08925	5.1
97.02879	14.6
97.06535	10.1
97.10165	9.8
99.00803	4.9
99.04424	2.9
99.08076	2.9
105.07034	28.6
106.07352	2.5
107.04940	7.4
107.08588	44.3
108.08929	4.4
109.02844	2.4
109.06489	7.5
109.10168	37.5
110.10474	4.9
111.04433	10.6
111.08072	5.7
116.64838	2.9
117.07019	13.7
119.08574	28.9
121.06495	5.9
121.10139	29.7
123.04435	2.8
123.08040	5.5
123.11700	5.3
125.09606	3.4
129.07008	4.5
131.08571	22.4
133.10110	27.5
134.10434	6.4
135.08040	4.0
135.11711	33.3
137.09564	4.8
137.13162	2.5
143.08527	5.7
145.10136	27.2
147.08022	4.9
147.11659	11.4
149.09613	4.0
149.13269	7.2
151.11188	6.7
152.11493	3.2
153.12711	8.0
155.08540	5.5
157.10097	2.9
159.11646	7.9
161.09598	5.3
161.13219	8.2
163.11168	23.6
163.14926	2.7
171.11618	2.8
173.09618	6.7
173.13290	7.9
179.10626	2.5
181.12245	6.7
184.07324	14.0
187.14841	6.4
191.10661	8.9
201.16519	3.0
209.11725	29.4
225.11261	4.1
227.12764	16.5
243.21167	3.7
253.14281	3.4
261.22229	16.7
262.22479	3.6
273.22003	2.7
283.15366	42.5
299.14880	23.6
300.15186	18.2
301.16483	59.4
301.91183	2.5
315.23004	2.7
317.24762	3.1
335.25784	98.5
336.26138	22.2
337.26468	12.3
433.31030	2.8
451.31821	9.2
469.32928	8.0
525.35846	15.8
543.36859	69.6
560.36395	4.4
561.37646	62.8
562.38196	3.0
579.38232	3.2
650.89142	2.5
657.90790	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
54.70857	0.8
55.01871	6.3
55.05512	18.6
57.03438	14.4
57.07066	3.4
57.40059	0.8
59.05005	1.5
59.55432	0.9
60.86705	0.7
61.02930	5.0
65.03928	3.3
67.05505	61.5
69.03413	3.6
69.06723	1.6
69.07069	19.4
69.80422	5.2
71.01339	3.0
71.04980	5.0
73.02905	1.4
77.03924	1.6
79.05493	43.0
80.05815	1.3
81.03416	14.1
81.07056	58.8
83.01321	1.2
83.04981	15.8
83.08611	12.8
85.02901	9.2
85.06538	2.5
86.09695	3.9
91.05482	26.8
93.07042	57.9
95.04962	10.5
95.08607	44.5
97.02885	6.7
97.06516	7.8
97.10172	6.7
99.04456	2.1
99.08109	1.4
105.07027	20.7
107.04950	11.1
107.08594	34.6
109.06501	4.0
109.09462	1.6
109.10155	23.1
110.10498	0.9
111.04442	8.7
111.08060	4.0
111.11715	2.1
113.05988	1.0
117.07012	11.8
119.07786	1.6
119.08582	20.9
121.06536	2.2
121.10144	30.3
123.08067	4.9
123.11707	6.2
125.00021	1.3
125.06016	1.3
125.09632	5.1
129.06982	3.9
130.07765	1.5
131.08580	15.1
133.10127	10.6
135.08025	3.5
135.11688	24.5
137.09605	2.9
137.13275	2.1
139.11159	3.8
143.08542	2.2
145.06477	1.7
145.10121	20.6
147.08072	2.5
147.11699	8.1
149.09564	2.9
149.13235	6.0
151.11182	2.1
153.12741	10.8
155.08540	2.4
157.10110	2.4
159.11661	6.5
161.13255	3.9
163.07642	0.9
163.11182	28.3
163.14807	2.5
169.10089	1.3
171.11766	1.0
173.09625	7.1
173.13173	5.3
175.11243	1.2
175.14835	2.0
177.16356	1.0
181.12219	7.3
183.11642	1.1
184.07324	15.6
185.07628	1.2
185.11693	2.0
185.13266	1.9
187.14839	2.6
189.11205	1.3
191.10699	11.5
193.12189	1.1
199.14877	1.2
209.11702	22.3
227.12773	15.1
229.14276	1.5
243.21091	4.1
245.13857	3.7
253.14369	1.2
253.16914	1.0
257.18961	1.0
259.20447	1.3
261.22137	16.0
262.22406	1.0
265.14313	3.7
267.15955	1.3
269.32471	1.1
277.21838	1.1
283.12360	2.0
283.15393	30.3
299.14865	2.6
299.23672	2.1
300.15244	1.2
301.16455	67.0
301.61462	1.0
302.16696	1.4
315.23114	1.6
317.21384	1.1
317.24771	3.1
333.24051	1.8
335.25800	100.0
336.25998	4.9
389.27142	1.4
433.30930	2.1
451.32230	4.4
469.33047	3.6
487.33932	2.2
515.37469	1.2
525.35638	8.5
543.36792	48.7
544.36780	2.8
561.37823	82.5
562.37885	5.6
579.38831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00793	0.9
55.05492	1.3
60.08152	1.4
67.05503	4.8
71.05000	1.2
71.58580	1.3
78.04692	1.2
79.05488	4.7
81.03394	3.0
81.07047	2.9
83.08578	1.1
85.02914	2.9
86.09698	2.3
91.05468	4.8
93.07027	2.7
94.04199	2.4
95.04960	2.1
95.08618	2.0
97.06535	1.6
103.05461	4.4
105.07018	6.2
107.04958	28.3
107.08611	1.3
108.05296	1.2
109.06560	1.3
109.10151	2.0
111.04417	2.1
115.05449	2.9
117.06999	3.3
119.04968	1.6
119.08597	2.1
121.06490	2.2
122.03658	5.2
123.04423	3.2
124.05193	2.0
127.03914	1.3
129.06995	1.9
131.04927	9.7
133.06496	7.9
135.04442	3.1
137.05977	100.0
138.06288	3.0
145.02811	1.3
145.06482	4.5
147.04451	1.2
147.08057	2.2
149.05965	2.4
151.03900	4.0
151.07518	2.1
153.05473	3.8
155.07065	1.5
157.06456	2.6
159.08066	1.8
159.48897	1.0
161.05992	6.2
163.03914	5.6
163.06270	1.6
163.07556	13.4
164.07970	1.4
165.05394	1.8
167.07045	90.7
173.05974	4.6
173.11690	1.0
173.13286	1.1
175.07558	4.2
176.04643	1.4
176.61191	0.9
177.05482	4.2
177.09160	5.1
179.07027	5.3
181.04927	1.9
181.06354	1.1
181.08583	1.6
183.08044	2.4
184.07329	7.3
184.08800	1.9
185.09671	3.7
187.07620	2.0
189.09064	1.9
191.07031	16.9
191.08589	1.6
193.08609	30.0
195.06538	5.0
196.07341	2.4
197.07787	1.0
201.09140	1.9
203.10602	1.8
205.08606	8.3
207.06557	1.5
207.10182	8.8
209.08098	5.9
213.09160	1.6
215.10738	1.8
229.14325	1.3
231.10207	1.9
235.09636	2.8
249.11212	2.8
253.10756	2.0
267.12219	4.4
291.19345	1.1
337.14337	3.7
339.15866	1.9
355.15546	5.7
356.15863	1.4
367.15283	2.1
371.14853	2.0
385.16495	5.3
402.16864	1.9
403.17068	2.1
458.23105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.9
55.01856	4.3
55.05512	24.0
57.03435	20.5
60.08165	6.0
63.73230	2.8
65.03933	7.0
67.05503	100.0
69.03430	35.0
69.07072	21.1
71.04990	9.6
74.02326	2.5
79.05489	73.1
81.03416	98.1
81.07055	80.0
81.68957	3.3
82.26395	2.7
83.04978	6.8
83.08605	9.8
85.02890	8.5
86.09707	29.7
91.05479	41.4
93.07047	75.1
93.07629	5.5
95.04963	10.4
95.08607	65.5
97.02886	21.6
97.06513	5.0
97.10163	2.8
98.98448	5.7
99.04453	14.6
99.08093	4.6
103.03950	6.0
105.07029	26.8
107.08596	33.2
109.02863	11.1
109.06519	7.0
109.10146	29.2
109.23478	3.1
117.07015	11.2
119.08572	23.2
121.10153	27.5
123.11705	10.8
124.99960	17.0
127.03908	24.6
131.08557	19.9
133.10130	14.7
135.11679	21.0
137.13300	3.0
143.08528	4.6
145.10112	9.7
147.11671	11.4
149.13232	9.9
150.28470	2.7
159.11687	9.2
161.13280	9.0
163.14891	4.2
173.13245	9.9
179.14275	3.6
183.11737	3.9
184.07336	84.8
185.07680	5.1
187.14815	3.7
202.86024	2.9
225.36826	3.3
243.21136	5.7
261.22162	23.9
291.34283	2.8
335.25790	95.5
336.26166	3.3
363.25345	52.2
405.26703	4.8
454.25674	2.8
500.63678	2.7
513.39679	2.7
560.36078	3.0
579.15179	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01861	7.6
55.05512	26.9
57.03437	20.2
57.07060	3.4
60.08154	2.4
61.02923	6.5
65.03955	3.0
67.05504	80.2
69.03430	4.2
69.07068	21.8
69.26347	20.3
71.01355	3.2
71.04983	6.2
79.05492	51.8
81.03424	13.6
81.06577	4.1
81.07056	72.8
83.04981	14.2
83.08613	13.5
85.02895	9.4
85.06555	4.9
86.09704	11.8
91.03934	2.5
91.05474	39.4
93.07041	72.3
94.07402	1.8
95.04962	13.1
95.08604	49.0
96.04520	1.6
97.02886	9.7
97.06542	10.9
97.10187	8.6
99.04517	2.2
103.05438	2.3
105.07026	25.2
107.04958	11.8
107.08592	38.8
109.06529	6.3
109.10156	25.5
111.04443	7.9
111.08065	2.8
117.07046	14.5
119.08582	26.1
119.33174	1.8
121.06484	3.7
121.10153	28.8
123.08070	7.2
123.11721	5.5
125.00011	7.3
125.05939	3.3
125.09631	4.9
128.06175	2.4
129.07021	3.4
131.08597	18.7
133.10132	18.2
135.08060	4.1
135.11687	27.0
137.09641	3.1
137.13315	2.0
141.86488	1.8
143.08609	2.2
145.06424	3.5
145.10129	21.0
147.08041	3.1
147.11705	9.5
149.09653	4.0
149.13243	8.1
151.11186	3.1
153.12775	8.6
157.10089	1.9
159.11707	6.2
161.13306	4.7
163.11182	25.9
163.14795	2.7
165.09184	1.9
171.11636	1.8
173.09636	6.1
173.13292	4.7
175.14819	2.9
176.11157	1.9
181.12270	6.6
184.07330	34.7
187.14809	3.8
191.10664	10.9
201.16443	2.4
209.11760	20.2
227.12808	13.7
229.14404	2.7
243.21126	6.4
259.20486	3.1
261.22153	12.8
262.22479	1.8
283.15344	22.4
299.14813	2.2
300.15256	3.5
301.16440	76.2
302.17017	2.1
317.24612	3.4
333.24313	2.5
335.25793	100.0
336.26123	5.9
337.26721	2.5
451.32025	5.5
469.33054	2.2
484.70343	2.1
487.34216	1.8
515.36896	1.9
525.35632	7.2
535.19165	2.0
539.54388	2.0
543.36829	38.6
544.36401	2.9
561.37762	71.1
562.37915	3.2
579.38538	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	757.2186
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03947	0.2
55.01871	0.2
55.05516	0.2
55.86277	0.1
56.56612	0.1
56.96569	0.1
57.03439	1.4
59.04977	0.1
61.02932	0.5
68.99812	0.2
69.03436	1.1
70.06593	0.1
71.01357	0.1
71.04995	8.2
71.58879	0.2
73.02921	0.4
75.04483	0.5
79.05486	0.1
81.03446	0.5
83.05001	0.5
85.02905	12.6
87.04473	0.5
91.03941	0.1
95.04960	0.1
97.02898	1.4
97.06511	0.3
99.04462	0.4
103.26844	0.1
105.03394	0.3
107.04987	0.3
109.02908	0.5
111.00819	0.5
111.04429	0.4
116.98586	0.1
121.02873	1.8
123.04401	0.1
127.03912	1.1
128.54590	0.1
129.05478	2.5
131.04956	0.1
133.02869	0.2
133.10121	0.1
135.04442	0.2
137.02368	0.5
137.05983	0.2
145.04930	0.6
147.04422	0.6
147.06482	0.7
148.07635	0.1
152.07059	0.1
153.01830	2.0
157.06451	0.1
162.05522	0.2
165.01845	1.2
171.04478	0.1
183.02913	0.7
185.05952	0.2
201.05470	0.1
203.07082	0.2
204.10223	0.4
205.10678	0.1
213.05460	0.7
231.06471	0.5
233.11597	0.2
241.05038	0.6
248.12836	1.6
249.13211	0.5
258.05292	0.7
259.05994	0.4
269.04510	0.3
287.05499	100.0
288.05804	2.0
288.08820	0.2
299.05423	0.2
303.04962	1.3
311.05441	0.1
329.06479	0.3
353.07013	0.1
442.04272	0.1
449.10818	26.5
450.11520	0.5
611.16046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2185
Annotation	Quercetin 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03932	0.6
54.76561	0.2
55.01851	0.8
55.05483	1.1
57.03439	3.2
58.31041	0.2
59.04983	0.4
61.02655	0.2
61.02924	2.0
62.34579	0.2
67.05488	0.5
68.99783	0.6
69.03429	3.1
70.06580	0.4
71.01317	0.4
71.04995	15.6
71.59163	0.4
71.59549	0.4
73.02921	1.5
75.04449	1.1
81.03394	1.1
83.04985	9.4
85.02908	28.4
86.09691	0.5
87.04434	0.8
87.88185	0.3
91.03976	1.3
91.05466	0.5
95.04938	0.8
97.02351	0.3
97.02895	2.9
97.06537	1.9
99.04443	1.4
101.06071	0.4
108.85432	0.3
109.02882	1.2
111.00770	1.0
111.04439	4.9
115.03951	0.3
117.05461	0.5
119.04939	0.3
119.08539	0.3
121.02887	2.1
121.06428	0.4
123.04420	0.5
127.03925	3.1
129.05486	7.4
133.02811	0.4
135.04404	0.4
136.07585	0.3
137.02335	2.5
137.05960	1.8
138.06296	0.4
145.04982	2.0
147.04410	0.4
147.06526	2.6
149.02237	0.3
151.03897	0.4
153.00723	0.4
153.01837	4.6
153.05458	1.0
163.03883	0.8
163.06018	1.1
163.07336	0.3
165.01881	2.1
171.06473	0.3
177.05434	0.3
183.02892	1.1
184.07393	0.4
185.05983	0.4
201.05428	0.8
201.07520	0.4
213.05473	0.8
214.08546	0.3
229.04955	2.6
231.06427	0.3
233.11723	1.0
234.11960	0.4
239.09204	0.6
241.04950	0.5
241.33092	0.2
247.06018	0.5
250.14365	0.9
251.14734	0.4
255.08533	0.8
257.01947	0.4
257.04358	2.0
258.05121	0.9
259.06140	0.4
264.16013	1.5
265.16254	0.5
268.05994	0.3
273.09729	0.3
274.04742	0.9
275.11404	0.5
285.03915	0.7
287.05508	85.6
288.05835	2.0
303.05002	100.0
304.05356	3.3
315.04785	0.4
345.06021	0.8
369.06104	0.3
395.07556	0.4
438.39124	0.3
449.10916	3.1
450.08060	0.5
465.10275	2.5
757.29431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2182
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03944	0.2
55.01876	0.2
55.05497	0.2
57.03180	0.1
57.03435	1.4
59.04987	0.1
61.02930	0.3
68.99485	0.1
68.99805	0.3
69.03430	1.1
69.53445	0.5
71.01357	0.1
71.04990	7.9
72.19769	0.1
73.02900	0.3
75.04470	0.4
81.03425	0.4
81.34879	0.1
83.04971	0.6
85.02901	11.8
87.04455	0.3
91.03951	0.1
91.05461	0.1
95.04958	0.1
97.02883	1.1
97.06539	0.1
99.04455	0.3
107.04967	0.1
109.02880	0.4
111.00827	0.4
111.04428	0.4
113.78834	0.1
121.02867	1.5
127.03902	0.9
129.05478	2.6
133.02879	0.2
137.02345	0.4
137.05968	0.1
145.04936	0.6
147.04410	0.4
147.06499	0.7
153.01834	1.6
157.06493	0.2
161.06017	0.1
163.05902	0.1
165.01814	1.1
171.04396	0.1
177.09106	0.1
183.02917	0.5
185.06015	0.2
197.05991	0.1
198.29449	0.1
203.07069	0.1
213.05409	0.7
231.06471	0.6
241.04942	0.6
248.12840	0.2
249.13057	0.1
258.05231	0.6
259.06003	0.3
269.04407	0.1
286.04642	0.1
287.05478	100.0
288.05804	2.4
299.05447	0.1
303.04868	0.4
329.06512	0.4
431.09357	0.1
449.10782	26.4
450.11221	0.9
611.15637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01869	2.1
55.05510	10.6
57.03436	7.7
57.07071	1.6
57.46370	0.7
61.02908	1.1
65.03931	2.2
67.05508	23.8
69.03429	1.6
69.07069	11.0
70.31506	3.2
71.04977	2.9
73.02910	1.3
79.05495	33.1
81.03396	2.4
81.07059	29.5
83.04969	2.9
83.08617	7.6
85.02908	1.2
85.06513	1.6
86.09722	1.5
91.05481	28.5
92.05809	1.1
93.07041	47.8
94.07391	0.8
95.04964	6.7
95.08608	34.9
97.02877	3.0
97.06492	3.8
97.10174	1.9
98.21487	0.8
99.04450	2.8
99.08092	1.7
103.05447	1.5
105.07031	32.6
107.04961	5.5
107.08596	31.6
109.06515	3.2
109.10165	6.1
111.04476	0.9
111.08095	1.4
112.57210	0.9
113.09694	0.9
117.06223	0.9
117.07032	13.6
119.08582	30.8
121.06509	4.3
121.09311	1.2
121.10143	17.5
123.08054	0.9
123.11668	2.1
124.99955	1.0
125.05963	2.3
129.05505	1.4
129.07004	4.5
130.07770	1.5
131.08559	11.3
133.10135	18.6
135.08083	2.5
135.11696	41.6
139.07536	1.0
139.11258	0.9
143.08600	4.1
145.10129	29.2
147.11682	21.2
149.09613	1.5
149.13245	3.9
157.10103	5.1
159.11702	8.1
161.13264	16.2
163.11186	43.4
163.14839	1.7
171.11694	7.3
173.13242	5.2
175.14830	8.8
181.12228	8.8
184.07376	4.3
185.13275	5.5
187.14874	1.5
189.12775	0.8
199.14818	2.9
209.11635	1.0
213.16347	1.5
217.19455	0.9
227.12784	69.4
228.13153	1.1
231.20995	4.3
241.19508	21.9
242.19946	1.1
259.20584	69.0
260.20993	2.1
266.36478	0.9
267.15790	1.0
275.20087	1.3
277.21634	1.1
283.15405	65.7
284.15762	1.1
297.22180	1.0
315.23154	8.2
319.46994	0.8
333.24243	100.0
334.24686	4.5
449.30685	0.9
467.31479	1.3
522.47455	0.8
541.35272	56.7
542.35498	3.1
559.36273	10.0
586.29102	1.4
737.73468	0.8
767.43896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.7
53.03940	2.4
55.01867	3.9
55.05512	16.5
57.03437	11.9
57.07041	1.5
57.39243	0.4
59.05003	2.6
60.08134	1.4
61.02931	3.8
65.03919	1.5
67.05505	40.4
69.03432	2.8
69.07067	9.4
69.23244	4.9
71.01346	1.2
71.04990	2.3
71.07378	0.7
73.02887	1.6
77.13020	0.4
79.05493	24.6
81.03423	3.5
81.07059	46.7
82.07401	0.6
83.04990	3.3
83.08620	13.0
85.02912	4.6
85.06510	1.4
86.09707	6.5
91.03912	1.4
91.05482	23.6
93.07043	36.4
95.01989	0.5
95.04964	5.0
95.08605	29.1
97.02890	4.9
97.06527	4.0
97.10155	2.6
99.00812	14.6
99.04437	0.8
99.08072	0.9
103.05430	1.3
105.04488	0.5
105.07033	20.0
106.07254	0.4
107.04961	4.6
107.08595	21.2
109.02872	6.8
109.06518	3.2
109.10158	18.2
111.04406	1.3
111.08084	3.3
113.05991	1.1
115.03907	2.3
117.06303	0.6
117.07019	5.3
119.08582	14.2
121.06498	5.7
121.10136	13.6
123.04382	1.4
123.08041	1.9
123.11697	6.5
125.00002	3.9
125.09560	1.7
127.03915	3.0
127.81759	0.4
128.06186	1.2
129.06947	1.0
131.08566	7.5
133.06451	1.4
133.10130	40.5
134.10431	0.7
135.08020	1.1
135.11696	9.3
137.05930	1.3
137.09625	2.3
137.13229	1.3
139.07545	2.4
143.08557	4.1
145.06458	0.5
145.10120	4.4
147.04425	0.5
147.08052	1.4
147.11690	3.8
149.09668	0.7
149.13255	4.4
151.11186	13.0
153.06984	0.6
157.10085	0.7
159.11720	3.9
161.09621	18.5
161.13275	2.2
163.11208	1.1
163.14775	3.2
165.09047	1.0
169.12201	1.2
171.08052	3.6
171.11705	0.6
173.13272	3.6
175.14857	0.8
177.12674	0.6
177.16389	1.0
179.10666	10.0
184.07346	20.6
187.14810	1.9
189.09099	8.9
189.10812	0.9
197.11769	2.6
201.16277	0.9
207.10141	3.1
225.11188	13.1
227.12682	0.9
243.12306	3.5
243.21077	4.8
259.20596	0.6
261.22156	15.9
262.22507	0.6
277.21686	1.3
281.13925	2.7
299.14886	100.0
300.15295	3.0
312.17899	0.5
315.23230	2.1
317.24811	2.5
335.25800	75.1
336.26031	2.8
421.31207	0.9
439.31857	1.0
449.30640	1.4
457.32950	0.7
467.31354	4.4
485.32651	2.7
513.35620	2.5
515.37506	0.7
531.36719	1.5
532.48743	0.5
541.35168	7.6
559.36304	33.2
560.36694	1.7
577.37360	1.7
756.54932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2181
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03948	0.2
55.01869	0.3
55.05492	0.4
57.03437	1.7
59.04998	0.1
61.02922	0.8
62.25351	0.1
67.05466	0.2
67.12178	0.1
68.99792	0.3
69.03437	1.1
69.26371	0.2
69.27027	1.3
71.01353	0.3
71.04994	11.7
72.05334	0.1
73.02914	1.1
74.83962	0.1
75.04477	0.7
81.03403	0.3
83.04983	2.5
85.02905	16.9
86.03230	0.1
87.04443	0.4
90.41032	0.1
91.03947	0.4
93.03392	0.2
95.04964	0.4
97.02887	1.3
97.06529	0.2
99.04437	0.6
103.03912	0.2
107.04948	0.2
109.02881	0.5
111.00788	0.7
111.04440	2.3
113.05975	0.2
117.05478	0.5
121.02877	0.8
123.04498	0.2
127.03934	0.9
129.05479	5.3
137.02328	2.0
139.03897	0.2
145.04956	0.5
147.06517	2.7
149.02376	0.3
149.06010	0.2
153.01825	2.3
153.05447	0.8
157.04974	0.3
159.04489	0.1
159.06509	0.2
161.05933	0.1
163.03960	0.3
163.06020	0.9
165.01831	1.4
167.55434	0.1
171.06525	0.4
173.05927	0.2
176.75101	0.1
177.05461	0.2
183.02881	0.8
183.04340	0.2
183.06581	0.3
187.03838	0.1
195.02982	0.2
201.05510	1.1
201.07552	0.4
205.04910	0.2
213.07396	0.2
219.06462	0.2
229.04970	2.9
239.09120	1.1
247.06020	0.6
255.08717	0.3
257.04431	2.6
257.10324	0.4
274.04797	0.5
275.05499	0.2
275.11243	0.5
285.03946	1.0
293.12347	0.4
302.04279	0.1
303.04990	100.0
304.05334	2.9
308.22299	0.1
309.11862	0.1
315.05087	0.4
345.05847	0.7
362.42520	0.1
369.06055	0.4
413.08469	0.3
431.09909	0.2
447.09247	0.2
449.10751	1.4
465.10345	2.6
611.15869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.4
53.03939	1.6
55.01867	3.3
55.05260	0.9
55.05510	14.6
57.03436	9.7
57.07062	1.1
59.04982	1.8
61.02924	4.3
65.03934	0.7
67.05505	38.0
69.03419	1.5
69.07068	8.7
71.01347	1.3
71.04974	1.7
73.02898	1.0
79.05491	23.2
81.03414	3.6
81.07056	40.6
83.04967	3.2
83.08616	10.6
85.02901	3.2
85.06536	2.9
86.09682	1.1
86.85934	0.7
87.04486	0.7
91.03947	1.1
91.05482	23.9
93.03395	0.7
93.07040	33.6
95.04967	6.2
95.08603	26.2
97.02890	5.2
97.06538	3.3
97.10153	2.0
98.21571	1.4
99.00810	12.0
99.08088	1.0
103.05461	1.0
105.06308	1.0
105.07030	19.4
107.04953	4.2
107.07867	1.0
107.08589	17.7
109.02869	6.4
109.06519	3.6
109.10158	16.4
111.04436	0.8
111.08073	3.4
113.05997	0.7
115.03933	2.5
116.42715	0.7
117.07001	4.0
119.07791	1.1
119.08583	12.1
121.06497	4.6
121.10133	11.4
123.04401	1.2
123.08073	1.5
123.11698	6.7
127.03880	2.8
128.06252	0.9
129.07028	1.3
131.08563	5.7
133.06508	1.3
133.10132	36.3
135.08038	0.9
135.11685	8.4
137.05954	1.6
137.09625	1.7
137.13239	1.3
139.07544	2.3
143.08563	4.2
145.10129	4.9
147.08049	0.8
147.10661	0.8
147.11668	3.8
149.13290	4.6
151.11192	12.6
157.10225	0.7
159.11725	4.2
161.09615	14.4
161.13287	3.3
163.11183	1.2
163.14854	2.6
165.99495	0.7
169.12207	1.2
171.08044	3.4
171.11494	0.7
173.13260	3.6
175.14914	1.4
179.10669	7.3
184.07338	2.4
187.14780	1.6
189.09128	7.3
197.11705	3.2
207.10135	3.8
215.17883	0.7
225.11203	12.5
227.12837	1.1
229.24786	0.7
236.03786	0.7
243.12244	5.2
243.21126	4.8
244.24066	0.6
254.11050	0.7
259.20477	1.2
261.22147	17.2
279.23257	0.9
281.13913	3.5
283.15613	0.9
299.14886	100.0
300.15286	3.2
315.23218	2.0
317.24890	3.8
333.24271	0.8
335.25784	79.3
336.26193	3.0
355.86868	0.7
416.90948	0.8
421.30737	0.9
439.31973	0.8
449.30371	1.6
467.31943	3.7
485.32468	3.0
513.35614	2.3
515.37280	1.6
531.36700	2.8
541.35217	7.2
559.36298	36.2
560.36536	2.8
567.68677	0.8
577.37378	2.7
759.16016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
55.05265	0.8
55.05511	11.8
56.25010	0.6
57.03435	7.0
59.04988	0.8
61.02909	0.7
65.03928	0.9
67.05505	18.1
69.03432	3.1
69.07067	4.3
70.61055	0.5
70.61897	1.2
70.62261	1.1
71.04992	3.6
73.02913	0.5
79.05493	17.4
81.03421	45.0
81.06583	0.9
81.07057	16.4
82.03757	0.5
83.04985	4.5
83.08146	0.9
83.08622	14.1
85.02894	1.5
85.06526	1.8
86.09685	1.3
87.04493	0.6
91.05484	14.9
93.07051	12.7
95.04969	17.5
95.08051	0.7
95.08611	8.2
97.02913	2.8
97.06525	3.2
97.10174	14.9
99.04457	0.7
103.05510	0.8
105.07037	10.2
107.04961	13.5
107.08592	11.2
109.02874	1.2
109.06526	8.2
109.10158	7.3
111.04422	1.3
111.08095	5.4
113.05990	1.0
115.05423	1.7
117.07004	4.1
119.04917	1.1
119.07786	0.9
119.08586	10.8
121.02954	0.6
121.06515	9.7
121.10147	8.1
123.04395	1.4
123.08076	3.5
123.11707	1.5
125.05947	0.5
125.09634	11.6
127.03880	1.1
128.06244	1.2
129.07001	7.5
131.04926	2.1
131.08571	8.8
133.06467	4.0
133.10139	7.8
135.04420	1.0
135.08069	6.2
135.11685	2.4
137.06007	2.6
137.09610	1.1
138.09116	0.7
139.11183	0.9
141.06949	1.6
142.07831	1.3
143.08551	2.7
145.06490	5.4
145.10133	4.0
147.04402	1.9
147.08058	5.0
147.11687	5.8
149.06018	1.0
149.09616	5.1
151.07578	0.7
151.11171	1.6
153.09113	2.8
153.12775	0.9
155.08554	1.9
157.06480	2.2
157.10139	7.0
159.08066	1.9
159.11703	1.4
161.05980	1.0
161.09610	2.1
163.07489	0.6
163.11201	3.9
165.12726	1.8
167.10724	1.1
169.10103	1.2
171.07986	2.8
171.10228	1.2
171.11568	1.0
173.09607	1.9
173.11864	0.8
173.13292	1.7
175.07581	0.7
175.11192	5.6
177.05397	1.1
177.12785	1.3
179.10660	0.6
181.10098	0.8
183.11662	0.8
184.07378	2.8
185.09546	1.1
185.13211	1.1
187.11182	1.2
187.14830	1.4
189.11217	6.7
189.12769	1.7
191.14381	0.5
193.12251	16.6
195.11734	0.8
197.09561	1.4
197.13290	1.6
199.11195	2.4
199.13290	1.7
201.12653	0.8
203.10703	0.6
203.14392	1.2
205.12277	1.8
209.13351	0.9
211.11313	1.0
211.13243	1.3
213.12727	1.8
215.14311	2.0
217.12289	1.1
219.11842	0.9
219.13731	3.4
223.11279	1.1
223.13396	1.7
225.12708	0.9
227.12747	1.7
227.14574	1.1
231.13834	1.5
233.15402	3.7
235.13237	0.6
237.12776	1.3
241.14458	1.0
243.13835	0.9
245.15456	1.4
249.14835	1.7
253.14354	1.5
255.13776	2.4
257.15405	0.6
259.13364	1.7
263.16974	0.6
267.15924	40.0
268.16318	1.8
273.14752	5.8
273.17032	0.7
275.16229	0.9
281.15390	1.0
293.17487	0.9
302.56567	0.6
317.15988	3.9
321.22366	0.6
339.23071	3.0
349.21695	4.6
357.24420	2.9
367.22699	12.8
368.23117	0.6
385.23773	20.2
386.24237	0.8
397.22220	1.5
403.24805	6.6
405.24661	0.8
423.25333	0.8
437.25299	0.6
441.26440	8.8
459.27441	100.0
460.27707	5.4
477.28494	90.3
478.28909	4.6
491.30084	12.5
501.28500	2.3
509.30780	5.5
541.33740	1.7
555.28815	0.6
567.29395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01876	7.5
55.05260	1.8
55.05514	24.0
57.03440	17.4
57.07083	2.6
59.05001	1.7
61.02923	3.3
63.14270	1.3
65.03938	2.2
67.05507	44.2
69.03429	8.4
69.07076	9.6
71.01358	14.8
71.04981	4.7
71.56206	2.1
72.76745	1.0
73.02908	4.6
76.61349	1.2
79.05499	33.9
81.03421	81.1
81.07063	39.3
82.03747	1.4
83.04980	8.8
83.08624	26.3
85.02912	10.1
85.06552	1.9
86.06071	1.6
86.09690	4.6
91.04963	2.5
91.05486	29.2
91.06013	2.3
93.07045	26.0
94.06578	2.6
95.04977	27.9
95.08607	17.2
97.02903	8.1
97.06544	5.9
97.10165	15.2
98.97480	1.4
99.04456	3.1
103.05457	2.8
105.07030	24.6
107.04970	11.6
107.08596	19.7
108.08119	2.9
109.02847	6.0
109.06525	7.1
109.10165	20.1
110.09714	2.2
110.10484	1.7
111.04448	5.1
111.08096	9.2
111.93668	1.1
113.06016	1.2
115.05445	3.2
117.07025	7.7
119.04913	1.6
119.08585	16.7
121.02901	12.0
121.06525	6.6
121.10151	8.9
122.06033	3.4
123.04437	4.8
123.08061	4.8
123.11713	2.5
125.00008	2.8
125.05952	1.3
125.09621	10.3
127.03906	5.2
127.07665	1.2
128.06207	1.7
129.06990	9.1
131.04967	3.2
131.08563	11.1
133.06487	5.2
133.10141	10.6
135.08064	8.2
135.11720	4.0
136.07503	1.3
137.05997	7.4
137.09605	4.7
137.13174	1.6
138.09091	2.4
139.11176	3.1
142.07770	2.5
143.08588	3.5
145.02835	2.8
145.06532	1.8
145.10127	5.4
147.04355	2.6
147.08057	4.8
147.11693	10.9
148.07552	1.6
149.09613	7.2
149.13226	2.3
151.05090	1.4
151.11127	2.3
153.09068	5.8
157.10129	13.1
159.08099	1.5
159.11713	1.3
161.09604	6.0
163.07600	1.3
163.11198	5.1
165.12839	1.4
166.08691	2.9
167.07079	2.4
171.10202	1.7
173.09596	2.3
173.11719	1.5
175.11218	11.0
177.05472	4.6
179.10570	2.3
181.04904	1.5
184.07368	8.9
185.09589	2.0
187.11136	1.4
189.09151	2.7
189.11270	4.0
191.10730	2.5
193.12265	25.7
197.11780	3.0
203.10660	19.4
209.11769	3.0
211.11263	1.2
211.13239	2.1
213.12790	1.2
219.13821	2.5
225.11272	16.5
227.12810	21.2
229.12270	6.1
229.14308	2.5
235.13274	1.5
237.10141	1.8
239.11716	2.0
240.12007	1.2
243.12308	1.4
245.13737	2.0
247.13335	20.9
249.14775	2.6
250.11035	1.3
251.11746	3.4
253.13568	1.3
259.09601	1.5
265.09631	1.9
265.14023	2.0
267.15918	99.1
268.16248	4.0
271.15445	4.1
273.14969	1.6
277.09692	1.8
277.14468	2.8
279.11093	1.9
281.13388	2.3
283.15445	3.8
291.26956	2.0
292.27231	2.2
293.12793	2.7
299.14917	85.9
300.15140	2.6
302.92096	1.2
310.28036	2.6
311.13403	1.6
317.15936	4.3
321.12482	1.4
370.54572	1.5
376.91815	1.4
381.20462	3.5
399.21805	3.6
414.17487	1.5
417.22769	4.4
453.16498	1.5
455.24368	9.1
459.27365	1.6
473.25385	76.3
474.18741	1.3
474.25665	6.7
491.26428	100.0
492.26868	7.6
509.27426	11.8
533.27057	4.4
594.34753	2.3
600.22784	1.6
602.23328	1.5
604.22583	2.1
617.29071	1.8
756.39825	2.9
757.30536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.05517	14.9
57.03436	6.2
57.07072	3.1
60.85097	2.2
65.03929	3.2
67.05507	38.8
69.03414	2.8
69.07066	14.7
69.79603	10.6
71.04975	2.7
75.60013	2.1
76.11440	1.9
79.05494	50.0
81.03429	5.6
81.07064	40.1
83.04973	7.5
83.08624	7.1
86.09711	7.0
91.05487	52.7
93.07043	57.3
95.04972	11.2
95.08610	25.3
97.06525	5.0
97.10176	4.8
105.07036	42.8
107.04968	5.6
107.08601	21.2
109.06541	4.1
109.10168	8.3
112.58147	2.4
117.07027	12.4
119.08584	37.6
121.06509	2.5
121.10136	14.2
123.08064	4.9
125.00032	5.4
125.09579	2.4
129.06961	13.9
131.08559	14.8
133.10150	27.0
135.07953	3.3
135.11711	11.8
137.09665	2.4
137.40688	2.6
142.52568	2.4
143.08540	11.1
144.09305	2.6
145.10120	18.5
147.08076	2.2
147.11687	46.0
149.13292	5.9
157.10172	5.6
159.11740	12.5
161.09576	2.5
161.13263	25.0
163.11209	3.5
163.14862	3.4
171.11690	21.7
173.13261	8.7
175.11053	3.0
175.14827	10.8
179.14403	2.9
184.07336	28.6
185.13283	7.6
187.11256	3.9
187.14845	3.7
189.12747	7.6
200.01459	2.4
207.13890	15.7
231.21143	5.5
241.19518	31.1
243.20969	2.3
257.19128	3.1
259.20590	58.5
261.22256	5.2
279.15939	21.9
281.17487	76.0
311.25836	3.6
315.23227	8.3
331.22778	2.9
333.24216	50.0
334.24606	2.6
393.28903	2.5
409.29202	2.6
423.47141	2.5
429.31656	2.4
447.32578	6.8
465.33746	5.0
483.34656	4.3
521.36285	3.6
539.29291	4.9
539.37384	100.0
540.37549	8.7
557.38568	32.6
754.45636	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	755.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
57.03420	1.2
59.71219	0.3
61.02917	0.7
69.03433	4.1
70.88571	0.6
70.88906	0.6
71.04641	0.5
71.04994	5.9
73.02914	1.0
75.20478	0.3
79.05529	0.3
81.03419	4.7
83.04964	1.2
85.02906	15.5
87.04467	0.7
91.05485	0.3
97.02891	6.0
97.06519	0.7
97.63883	0.3
99.04454	7.1
103.03299	0.6
103.03940	7.8
105.07026	0.5
105.34312	0.3
107.04923	0.3
107.08572	0.3
109.02882	5.3
110.97469	0.3
111.00809	0.4
111.04424	1.4
121.02859	0.7
121.06551	0.3
127.03914	16.1
128.04259	0.3
129.05476	1.5
130.26413	0.3
135.04420	0.4
137.02353	2.2
137.05977	1.2
145.04962	6.7
147.06485	0.5
153.01868	2.0
163.03966	0.5
163.06036	2.3
165.01846	1.4
165.05473	0.3
183.02864	0.4
187.06093	2.0
195.02869	0.4
201.05490	0.9
229.04980	3.0
238.77130	0.3
247.06041	0.7
248.12938	0.4
257.04395	2.5
264.15973	0.4
271.08179	1.7
274.04700	0.6
285.03958	1.4
289.09131	0.7
302.04153	0.3
303.04993	100.0
304.05356	3.4
315.05255	0.8
320.54102	0.3
327.04858	0.7
341.06787	0.3
343.04517	1.4
345.05945	3.3
369.05905	0.7
396.48853	0.3
431.09995	0.5
439.46585	0.4
449.10803	2.3
453.34308	0.4
460.26669	0.3
463.08615	1.5
609.14648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3768
Annotation	Pandicine
Peak:m/z	Relative Intensity
55.01889	0.5
55.05518	0.8
57.03437	1.6
59.04988	0.9
61.02930	4.0
67.05510	3.5
69.03429	3.9
69.07062	1.3
69.29782	2.2
69.30210	2.1
70.78262	0.4
71.04990	2.6
73.02911	2.7
79.05488	3.7
81.03416	6.9
81.07050	3.4
83.08622	1.3
85.02907	7.1
85.06554	0.6
87.04459	0.6
91.03977	2.5
91.05488	4.5
93.07050	3.5
95.04989	2.4
95.08604	2.1
97.02885	4.3
97.06541	1.6
97.10226	0.6
99.04493	1.1
101.02418	2.1
103.03975	1.1
105.07001	2.3
107.04952	0.9
107.08579	2.1
109.02899	1.8
109.06495	0.9
109.10157	1.3
110.09702	0.5
111.04438	0.5
111.08084	1.1
117.03394	0.7
119.04970	0.6
119.08607	2.2
121.06508	0.8
121.10162	3.7
122.06068	0.9
123.08083	0.9
123.11662	0.4
127.03933	2.8
129.07021	1.5
131.08597	2.2
133.06468	0.6
133.10124	2.5
136.07556	0.6
137.06013	1.8
137.09712	0.5
138.09161	0.5
139.11224	1.0
145.02846	1.8
145.04988	0.7
145.06557	0.6
145.10219	0.6
147.04428	1.7
147.11693	2.5
149.05914	0.5
149.09613	2.6
153.01872	1.5
157.10179	1.9
163.03952	0.7
163.11261	0.9
166.08627	0.5
173.39810	0.4
175.11232	1.0
177.05473	3.7
179.03346	0.5
184.07515	0.6
185.04373	0.4
193.12270	2.6
196.00073	0.4
211.11169	0.5
214.17999	0.7
221.04573	0.7
225.14900	0.9
233.11591	0.5
243.08371	2.6
267.15884	2.1
269.13638	1.4
282.12216	0.5
283.15219	3.8
325.16699	0.5
339.17853	1.3
421.12903	2.5
439.14185	2.9
441.20984	0.5
443.18811	6.9
443.24142	0.6
469.20517	3.5
482.18268	0.7
487.21472	8.9
501.23056	15.5
527.78937	0.6
657.30731	2.0
703.34973	3.3
710.08850	0.5
729.37091	2.5
747.37701	100.0
748.38123	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01868	0.3
55.05513	1.2
55.28135	0.2
57.03439	1.1
57.07076	0.2
59.04958	0.2
61.02636	0.3
61.02924	3.8
65.03928	0.3
67.05507	3.4
69.03429	2.6
69.07074	1.0
71.01354	0.4
71.04977	0.5
71.57218	0.2
71.57635	0.3
73.02908	2.9
77.16405	0.2
79.05492	2.7
81.03418	1.1
81.07059	3.0
83.04946	0.2
83.08627	0.7
85.02906	3.5
86.09727	0.2
91.03954	2.3
91.05443	1.1
93.07046	3.8
93.88654	0.2
95.04978	0.7
95.08597	3.5
97.02894	3.5
97.06448	0.2
97.10197	0.3
99.04474	0.5
101.02368	1.7
103.03983	0.4
105.07056	1.1
107.04945	0.5
107.08589	2.3
109.02895	0.5
109.06523	0.4
109.10159	1.2
117.06994	0.5
119.08606	1.2
121.06519	0.2
121.10136	1.6
123.11732	0.2
123.19266	0.2
127.03880	0.9
127.11205	0.2
131.08572	0.4
133.10152	0.4
135.11685	3.5
145.10107	1.7
149.13358	0.3
152.96693	0.2
159.11798	0.2
163.11194	3.9
172.50404	0.2
181.12256	0.9
184.07414	0.8
185.04259	0.6
203.05365	0.3
219.10017	0.7
227.12801	3.0
243.08440	2.7
249.10986	9.6
250.11325	0.5
305.13608	2.0
335.25986	0.4
387.54181	0.2
408.89996	0.2
439.19348	0.3
467.18915	11.8
468.19623	0.4
519.29279	5.6
548.39380	0.2
583.36627	0.3
745.41290	100.0
746.41632	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05508	1.5
57.03439	1.6
57.37629	0.3
61.02930	4.0
62.40863	0.3
67.05505	5.9
69.03436	2.8
69.07075	1.0
71.01373	0.5
71.05003	0.7
71.58794	0.5
73.02917	3.6
79.05491	3.1
81.03419	1.7
81.07059	4.3
83.04976	0.5
83.08628	0.8
85.02909	3.6
86.09742	0.7
86.30319	0.3
87.04450	0.4
87.47253	0.3
90.05135	0.3
91.03941	2.4
91.05474	2.3
93.07044	4.4
95.04977	0.9
95.08604	3.4
97.02898	3.9
99.04469	0.9
101.02383	1.7
103.03943	0.3
105.07058	1.3
107.04985	0.5
107.08603	3.1
109.02902	0.9
109.10157	4.6
115.03999	0.3
117.07053	0.8
119.08610	1.2
121.06569	0.5
121.10165	1.9
123.11719	0.6
127.03915	1.1
127.11192	2.5
131.08580	0.4
133.10159	1.3
135.11708	4.0
141.01959	0.3
145.10115	2.1
147.11810	0.4
149.13254	0.4
151.11226	1.3
160.11145	0.3
163.11165	3.8
169.12292	1.6
178.21407	0.3
181.12306	0.9
184.07376	2.1
185.04340	0.6
187.13342	1.5
203.05383	0.4
219.10062	0.7
227.12732	3.4
243.08380	3.1
249.11000	9.7
294.53510	0.3
305.13602	2.1
335.26074	0.8
373.26309	0.4
382.58218	0.3
448.00806	0.4
466.05743	0.4
467.18954	12.3
468.19705	0.6
519.29266	5.5
583.36121	0.5
745.41327	100.0
746.41608	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	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05512	15.4
57.03436	9.9
59.05002	2.0
61.02916	4.0
62.58780	1.6
65.03962	2.5
65.44054	1.8
67.05505	100.0
69.03412	2.6
69.07061	13.8
70.83079	3.7
71.04993	23.6
79.05495	32.5
80.05823	1.9
81.03414	4.5
81.07058	47.7
83.04975	5.2
83.08614	7.7
85.06553	4.0
86.09705	3.1
91.05479	22.8
93.07045	47.5
95.04974	5.2
95.08601	36.0
95.09241	1.6
97.02879	2.0
97.06538	4.8
97.10179	3.7
105.07050	8.5
107.08591	22.6
109.10160	71.5
111.08104	3.1
114.65067	1.6
117.07019	4.0
119.08571	20.1
121.10130	22.3
123.11720	2.8
125.00024	3.0
125.09611	2.6
131.08594	8.8
133.10138	9.4
135.11679	17.9
137.09604	13.4
137.57404	2.2
145.10120	11.1
147.11711	5.2
149.13242	4.7
155.10683	2.7
159.11681	3.3
161.13248	2.7
163.11223	4.2
169.12350	2.4
173.11734	8.2
173.13145	4.0
181.12306	2.8
184.07358	8.9
185.13228	2.3
213.14795	3.4
243.16028	3.1
255.15944	5.8
259.20578	2.2
261.22180	2.8
287.18558	25.1
296.35995	1.9
335.25851	23.8
377.32938	1.6
397.30835	2.3
423.32611	2.5
465.36349	2.1
471.34875	2.7
489.35770	98.0
490.35962	4.7
503.37320	4.6
515.37360	20.9
547.39960	83.9
548.39734	3.8
745.40631	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01886	2.3
55.05283	2.2
55.05511	17.4
57.03434	10.1
57.07073	2.8
61.02918	1.8
67.05170	2.6
67.05505	40.5
69.06775	1.7
69.07076	17.3
70.66917	1.5
70.71380	4.8
71.04983	1.7
73.02907	2.6
78.08588	1.8
79.05500	28.3
81.03411	5.3
81.07056	48.5
83.04984	3.3
83.08611	11.9
83.64445	2.0
85.02896	2.5
86.09698	8.1
91.05479	13.4
93.07039	39.7
95.04953	7.4
95.08611	46.8
97.02906	3.3
97.06490	4.4
97.10159	4.7
99.04444	2.8
105.07034	11.6
107.04950	5.7
107.08608	23.9
109.06535	3.3
109.10161	13.0
117.07027	6.9
119.08582	15.1
121.06510	5.7
121.10149	11.2
123.11686	3.2
124.99986	4.2
125.05994	2.9
129.07083	2.0
130.07784	1.9
133.10097	8.2
135.08014	2.1
135.11693	47.9
145.10107	24.9
147.11630	2.7
161.13168	2.4
163.11185	52.1
181.12268	7.0
184.07349	29.3
227.12776	53.5
227.14922	4.0
242.23665	2.0
245.22491	2.3
249.94151	2.0
267.15967	3.9
283.15399	94.5
285.16888	9.8
335.25772	11.2
337.27356	82.8
337.30475	2.0
527.36987	3.5
545.38379	100.0
546.38208	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78613	8.1
55.05504	21.3
57.03439	15.6
67.05504	67.1
69.07075	23.5
71.04991	16.4
79.05493	43.1
81.03425	16.2
81.07052	58.1
83.04948	10.2
83.08611	11.3
91.05483	28.5
93.07054	50.9
95.04977	16.0
95.08619	46.9
105.07040	21.1
107.08585	22.4
109.10175	12.1
117.91319	7.0
119.08601	13.3
131.08617	9.2
133.10139	17.0
135.11693	20.7
145.10129	12.4
161.13280	10.0
163.11197	22.5
173.13182	10.2
175.11270	8.9
184.07307	15.5
208.27382	9.2
223.37265	8.2
227.12755	23.6
267.15894	32.1
270.81836	7.6
283.15503	26.8
285.16885	53.4
335.25824	71.8
335.29456	10.6
337.27411	36.7
353.80771	7.5
362.14975	9.0
519.57489	8.3
527.37231	16.2
545.38354	100.0
742.44214	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	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
53.48781	0.9
55.01868	2.6
55.05510	19.4
57.03439	14.4
57.07078	1.6
61.02917	4.1
62.51313	0.8
65.03960	2.3
67.05505	50.2
68.46844	0.9
69.03438	4.4
69.07066	12.9
69.31300	5.8
69.31725	5.3
71.04995	4.9
71.89773	0.8
72.69525	1.0
73.02907	1.2
79.05139	0.9
79.05493	35.0
81.03419	55.1
81.07057	55.4
83.04980	15.4
83.08134	1.9
83.08620	25.2
84.42149	0.8
85.02901	21.2
85.06548	2.3
86.09713	4.7
91.03976	1.7
91.05481	35.5
93.07045	37.8
95.04970	25.9
95.08603	31.7
97.02899	3.9
97.06509	6.3
97.10178	5.1
98.21515	1.9
99.08109	1.8
100.97076	0.9
105.07037	26.4
107.04967	4.8
107.08592	20.8
109.06501	5.8
109.10153	13.4
111.04440	2.5
111.08085	11.0
113.05994	1.9
115.05465	1.7
117.07005	5.2
119.08578	22.4
121.06512	2.0
121.10136	19.7
123.08060	1.9
123.11713	5.9
124.99963	2.2
125.09617	2.2
129.07011	9.1
131.08575	13.4
131.64247	1.1
133.06496	1.8
133.10135	16.6
135.07979	1.6
135.11714	8.4
137.09618	2.1
137.13254	1.8
142.07768	1.7
145.10127	6.9
145.67674	0.9
147.08072	2.3
147.11682	19.8
149.09634	6.5
149.13240	3.2
153.12695	1.2
155.08649	1.4
157.10124	13.6
159.11710	3.9
161.13297	3.8
163.11211	2.2
163.14807	1.9
165.12785	3.6
169.10127	1.1
173.13316	4.1
175.11192	14.8
184.07343	15.7
187.14667	1.2
193.12242	43.9
211.13281	67.3
229.15007	0.8
243.21103	2.7
249.15237	1.0
249.71342	1.2
261.22092	8.9
267.15912	15.3
285.16965	82.3
317.24854	1.9
335.25797	75.2
435.32263	2.6
453.33649	1.8
471.34711	2.2
527.37299	13.0
545.38373	100.0
546.38647	4.9
561.14264	1.1
742.44019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
56.05022	0.6
58.06344	0.5
58.06604	0.6
60.07876	0.5
60.08163	6.2
67.05497	1.2
71.07375	3.8
71.58340	0.6
76.12749	0.3
78.70910	0.3
79.05479	1.0
81.07048	1.4
84.68943	0.4
86.09706	30.8
87.10030	0.5
91.05466	1.0
93.07047	0.8
95.08585	0.6
98.98460	2.2
104.10719	2.1
105.07063	0.8
107.08617	0.4
109.06519	0.3
109.10179	0.5
121.10134	0.4
125.00002	20.0
133.10135	0.4
161.09561	0.4
167.05623	0.3
184.07343	100.0
185.07675	1.2
240.05025	0.3
318.26675	0.3
335.26120	0.6
396.01050	0.4
410.76572	0.3
480.97360	0.4
545.37878	0.6
682.28638	0.5
682.48401	0.4
738.44244	0.4
742.32385	0.3
742.42969	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07311	0.5
53.11327	0.6
55.01871	4.1
55.05511	14.7
57.03194	0.8
57.03440	10.7
59.05000	1.0
61.02925	0.8
65.03934	1.4
67.05504	21.3
69.03431	4.7
69.07056	5.9
69.46926	2.1
69.47354	2.8
71.01349	0.7
71.04988	5.2
73.02900	0.8
78.31989	0.5
79.05492	22.4
79.05958	1.1
79.37600	0.4
81.03416	47.2
81.07057	22.1
82.03759	0.7
83.04978	7.2
83.08134	1.0
83.08617	15.5
84.08138	1.2
85.02924	4.1
85.06522	1.7
86.09690	2.1
87.04485	0.6
91.03956	0.7
91.05476	18.2
93.03384	0.5
93.06469	1.0
93.07046	18.3
94.06446	0.6
95.04967	19.2
95.08612	8.9
96.06820	0.5
97.02892	4.3
97.06537	4.5
97.10166	14.7
98.21460	1.0
99.04449	1.1
99.08103	0.9
103.03914	0.8
103.05434	0.8
105.07036	12.7
106.07309	0.6
107.04958	16.1
107.08595	13.4
108.08181	0.8
109.02892	3.5
109.06513	15.1
109.10155	8.3
111.04436	3.5
111.08072	6.9
115.05410	0.8
116.06213	0.7
117.03351	0.7
117.07018	5.8
119.04966	1.1
119.08579	12.8
120.08127	0.6
121.06516	11.8
121.10132	10.0
122.06002	1.1
122.06828	0.6
123.04419	2.0
123.08073	4.4
123.11714	1.3
125.00012	1.2
125.05953	1.0
125.09620	13.1
125.10526	0.7
127.03899	2.4
128.06223	0.8
129.07013	6.2
131.04915	2.2
131.08566	11.6
133.06474	3.9
133.10129	6.4
135.04453	1.2
135.08041	6.9
135.11687	3.1
136.07578	0.8
137.06018	2.6
137.09619	2.5
138.09146	1.0
139.07588	0.6
139.11198	2.7
141.06982	1.7
142.07793	1.3
143.08553	2.3
145.02841	1.4
145.06480	6.2
145.10110	5.6
147.04411	4.8
147.08035	4.1
147.11687	6.0
148.86787	0.5
149.06004	1.2
149.09605	6.4
149.13223	0.6
151.03944	1.1
151.07518	1.1
151.11162	1.2
153.07011	0.7
153.09044	2.6
153.12756	1.7
155.08568	2.0
157.06497	1.3
157.10127	7.3
159.08064	2.3
159.11676	2.7
161.06039	1.4
161.09630	2.0
163.11171	4.5
165.09073	0.6
165.12773	1.6
167.08568	0.8
167.10721	1.3
169.05026	0.7
169.06453	0.9
169.10170	1.6
171.08064	1.7
171.10240	0.9
171.11665	1.9
173.09669	1.9
173.11839	1.0
173.13266	3.4
175.07600	0.7
175.11163	6.2
177.05479	1.6
177.12721	1.2
177.88905	0.6
181.10097	1.0
181.12230	0.8
183.08051	0.8
184.07336	5.6
185.09633	0.6
185.11734	0.9
185.13249	1.0
187.11169	1.1
187.14792	0.8
189.11221	6.9
189.12790	1.9
191.10669	1.7
191.14302	3.8
193.10455	0.8
193.12228	14.4
195.08090	0.6
195.11754	0.7
197.09705	0.7
197.13278	1.1
199.07629	0.5
199.11200	1.3
199.13199	0.9
201.12761	1.2
203.14233	0.7
205.12277	1.5
205.15843	0.7
207.13818	0.6
209.11702	2.3
209.13477	0.8
211.13313	1.5
213.12721	1.1
214.17886	0.8
215.14371	1.8
217.12343	1.2
219.13795	11.7
223.11208	0.9
223.13353	1.5
225.10272	1.0
225.12688	1.1
227.12688	3.7
229.14339	4.1
231.13840	0.8
233.15361	3.6
235.13252	1.3
237.12714	1.3
237.14961	0.9
239.11809	0.6
239.14134	0.7
241.14407	1.6
243.13794	1.2
249.14891	2.0
251.11845	0.9
255.13715	1.4
259.13251	0.8
259.15497	5.6
261.14819	0.6
263.11777	0.6
265.14258	1.7
267.15921	42.1
268.16193	1.4
273.14813	5.0
276.10455	0.6
283.15314	5.4
291.11267	0.6
293.17456	5.4
301.16486	2.0
309.16827	0.6
317.15985	0.9
321.22244	0.6
331.20541	0.7
339.23163	1.8
349.21634	3.2
357.24255	2.3
365.23041	0.9
367.22607	12.3
368.23010	0.7
385.23767	17.7
386.23962	0.8
403.24777	6.2
405.18033	1.2
421.25827	0.6
433.25854	1.9
437.25415	2.1
441.26352	7.7
451.26852	5.4
455.26376	1.1
459.27420	100.0
460.27814	5.1
477.28476	96.6
478.28934	5.3
491.30264	8.5
495.29538	8.3
496.29614	0.7
501.28796	3.3
509.31085	2.8
527.29193	0.8
567.29669	1.5
585.30902	1.1
586.22504	0.7
725.32068	2.5
742.40625	1.5
743.33569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
55.01859	0.2
55.05500	0.7
55.23609	0.1
55.55755	0.1
56.05025	0.5
56.96554	0.1
57.03425	0.4
58.06628	0.5
59.05006	0.2
60.08164	6.1
60.08472	0.3
60.33609	0.1
61.02918	0.2
65.03940	0.1
67.05501	1.4
69.03425	0.5
69.07059	0.3
69.85429	0.7
69.85835	0.2
70.06587	0.2
71.04984	0.4
71.07371	2.9
73.02915	0.3
79.05492	1.1
80.97423	0.1
81.03423	2.0
81.07046	1.0
82.03751	0.1
83.04978	0.5
83.08591	0.6
85.02905	0.9
86.09705	29.9
87.10028	0.1
90.28174	0.1
91.03967	0.2
91.05479	1.2
93.07040	1.2
95.04975	1.1
95.08592	0.6
96.08160	0.1
97.02905	0.7
97.06530	0.4
97.10168	0.4
98.98462	2.4
99.04441	0.4
104.10745	2.1
105.07033	0.8
107.04980	0.7
107.08563	0.7
108.05254	0.2
109.02869	1.5
109.06544	0.2
109.10153	1.1
111.04417	0.3
111.08075	0.3
111.63420	0.1
115.05466	0.2
117.07016	0.3
119.04980	0.1
119.08577	0.7
121.06501	0.3
121.10159	0.4
122.06052	0.2
123.04436	0.2
125.00005	19.9
127.03898	0.7
129.05487	0.2
129.07031	0.3
131.04955	0.2
131.08560	0.4
133.10123	0.4
135.11691	0.5
136.12047	0.1
137.05962	0.4
137.09683	0.1
138.09142	0.2
139.03880	0.1
143.01047	0.4
143.08604	0.2
145.02832	0.3
145.06480	0.2
145.10141	0.5
147.04408	0.8
147.08057	0.2
147.11745	0.2
149.09621	0.3
151.03912	0.4
157.10150	0.3
158.06027	0.1
159.11717	0.1
163.07578	0.2
163.11208	0.5
166.02647	0.3
169.04997	0.3
173.09666	0.3
175.11174	0.2
177.05470	0.7
179.07054	0.2
181.12294	0.2
184.07339	100.0
185.07695	0.4
191.10614	0.2
193.12230	0.3
194.12656	0.1
195.97992	0.1
209.11778	0.4
227.12854	0.3
229.14395	0.9
235.13477	0.1
267.15918	0.9
268.16312	0.5
269.16473	0.2
283.15393	0.8
284.15781	0.2
285.16937	0.2
301.16534	0.4
302.16885	0.3
303.17111	0.2
365.23138	0.2
383.24387	0.2
385.23593	0.1
450.22989	0.1
458.25699	0.2
459.27075	0.6
475.26654	0.3
476.27148	0.2
477.27969	0.9
493.28015	0.3
494.28491	0.3
495.28323	0.7
509.27420	0.4
527.28870	0.3
580.34619	0.2
642.34021	19.7
643.34070	0.4
660.35321	0.2
742.40900	0.2
743.33734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01868	12.1
55.05260	2.9
55.05510	36.0
57.03439	38.8
57.07062	2.5
59.04981	1.9
60.08139	1.8
61.02925	23.4
64.18705	2.0
65.03941	6.6
67.05504	89.4
67.05871	4.3
69.03431	29.5
69.07068	70.4
69.69928	11.8
70.06587	3.2
71.01353	5.5
71.04643	3.1
71.04993	38.6
73.02910	17.5
79.05492	81.5
81.02924	1.9
81.03417	64.7
81.07058	98.8
83.04990	20.7
83.08618	26.7
85.02905	47.0
85.06554	9.0
85.07695	2.2
86.09707	4.2
87.04473	2.2
87.05585	2.3
91.03960	21.7
91.05479	60.8
93.07043	83.2
95.04964	37.1
95.08053	2.9
95.08609	40.6
97.02889	38.8
97.06531	100.0
97.10161	17.3
99.04443	7.9
99.08086	13.6
101.02349	3.6
103.03943	3.9
103.05445	3.2
104.10690	2.3
105.07028	48.9
107.04279	2.6
107.04958	29.5
107.07867	2.9
107.08595	51.8
108.08109	2.1
109.02882	14.9
109.06518	38.5
109.10146	21.2
111.04428	8.7
111.08070	14.6
113.05971	3.7
115.03911	3.5
115.05444	4.7
115.07562	37.2
117.07024	27.4
119.04933	7.3
119.07782	3.2
119.08583	38.2
120.08093	2.9
121.02884	3.7
121.06502	18.1
121.10133	25.9
123.04449	4.3
123.08068	17.4
123.11697	5.2
125.05956	2.1
125.09624	14.5
127.03921	20.6
127.07545	4.4
128.06206	5.2
129.05533	3.6
129.07007	16.7
131.04970	4.1
131.07069	3.0
131.08563	33.9
132.83775	1.5
133.06474	8.9
133.10126	36.8
135.04381	2.7
135.08057	24.1
135.11688	23.2
137.05968	7.9
137.09610	8.3
139.07521	3.1
139.11185	4.6
141.07002	2.9
142.07719	3.1
143.08604	10.8
145.02905	2.4
145.04967	8.5
145.06454	5.2
145.10107	22.7
147.04407	35.4
147.08043	13.8
147.11682	17.2
148.04805	2.0
149.05925	2.9
149.09602	15.4
149.13266	18.2
151.03882	2.4
151.07527	3.9
151.11209	8.3
153.09138	4.0
153.12767	3.7
155.08549	4.3
157.10144	13.0
159.08047	5.3
159.10411	3.1
159.11665	23.2
160.12152	1.7
161.05927	2.8
161.09598	13.1
161.13310	3.2
163.06010	8.1
163.07442	2.1
163.11197	15.1
164.07069	2.9
165.09093	4.1
165.12825	2.7
167.07051	3.8
167.08481	2.4
169.10135	4.2
171.11682	6.7
173.04433	8.0
173.05765	2.4
173.09607	6.6
173.13225	6.4
175.11249	9.4
176.83931	1.7
177.05490	7.6
177.12717	19.4
179.14288	5.0
181.10120	3.0
181.12273	2.4
183.11708	4.3
184.07410	10.8
185.09590	3.1
185.13269	5.4
187.11168	2.9
189.11180	6.1
189.12781	4.3
191.10689	4.8
191.14368	3.2
193.12244	12.3
195.13815	7.8
197.13297	2.8
199.14807	4.1
201.12808	3.6
203.10681	4.3
203.14389	2.3
205.12166	2.5
207.13896	1.9
209.11688	5.4
211.13264	1.9
217.15900	14.4
219.13829	4.5
221.15346	2.9
223.13168	2.4
225.11108	2.7
227.12782	12.4
227.17987	3.6
229.14256	2.1
231.13890	2.3
233.15326	20.5
237.16530	2.3
245.13835	2.8
245.18929	6.8
247.13297	5.1
251.16525	4.7
255.15501	10.6
267.15952	25.4
269.17487	84.5
270.17853	2.6
271.08377	2.2
271.15155	2.2
273.18484	43.3
275.07031	2.1
283.15457	4.9
289.18018	2.1
291.19525	35.9
295.18979	2.1
297.16922	9.5
298.55728	1.9
299.11618	3.3
299.14859	26.8
301.16382	7.9
307.19128	11.7
309.20721	4.1
315.19345	2.7
325.20114	12.2
328.31366	1.8
337.23718	2.8
347.22119	25.8
365.23224	97.2
366.23416	3.6
383.24271	81.9
384.24631	2.5
389.22891	2.5
399.21359	2.1
407.24124	3.2
413.21844	1.9
435.24109	1.9
455.24219	4.2
473.25369	18.0
491.26410	27.7
509.27460	10.9
527.28552	15.9
545.29254	11.2
637.08600	1.9
696.38507	2.3
724.38867	2.5
726.20276	1.9
742.39075	7.0
770.35547	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2237
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03928	0.3
54.64914	0.1
55.01858	0.3
55.05508	0.4
57.03437	2.0
61.02927	0.6
67.05499	0.2
68.99805	0.2
69.03078	0.2
69.03432	1.7
71.01353	0.2
71.04993	11.6
71.49796	0.3
73.02915	1.1
75.04484	0.7
79.05487	0.2
81.03424	0.8
83.04983	3.0
85.02905	16.7
87.04457	0.5
91.03958	0.1
91.05455	0.1
95.04959	0.5
96.65385	0.1
97.02884	1.1
97.06540	0.7
97.07056	0.1
99.04467	0.8
103.03938	0.1
104.68349	0.2
105.03372	0.2
107.04982	0.2
109.02866	0.5
111.00804	0.4
111.04446	2.2
113.05986	0.5
117.05484	0.5
121.02876	1.7
121.06480	0.3
127.03896	1.0
129.05476	5.2
133.02875	0.3
135.04430	0.2
137.02321	0.4
137.05936	0.4
145.04939	0.8
147.04402	0.4
147.06516	2.0
149.05994	0.2
153.00691	0.2
153.01822	1.7
153.05505	0.7
157.04938	0.2
159.06538	0.2
163.06064	0.9
165.01881	1.0
171.06520	0.2
177.05487	0.2
183.02870	0.6
185.05873	0.3
201.07562	0.3
201.50021	0.1
205.00000	0.1
213.05539	0.7
213.07330	0.2
231.06483	0.5
233.11537	0.3
239.09164	1.0
241.05025	0.5
250.14304	0.4
251.14774	0.2
255.08752	0.2
257.10147	0.4
258.05170	0.6
259.05942	0.3
265.09909	0.1
269.04538	0.2
273.10056	0.2
275.11212	0.4
287.05490	100.0
288.05875	1.9
293.12329	0.3
299.05530	0.5
303.08807	0.2
329.06482	0.6
353.06555	0.5
368.92410	0.1
379.08185	0.2
394.72116	0.1
397.09122	0.6
415.10178	0.3
433.11453	0.8
449.10803	2.3
549.70184	0.1
595.16589	0.2
666.06110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05031	0.6
56.39715	0.1
57.03417	0.3
57.07074	0.2
58.06623	0.5
59.07394	0.3
60.08165	6.1
62.78572	0.1
67.05509	0.9
69.07059	0.3
69.50253	0.8
69.50674	0.2
70.06569	0.2
71.07375	2.6
71.08631	0.1
79.05479	0.3
81.07051	0.7
84.41473	0.1
86.09706	30.1
87.10033	0.3
91.05473	0.3
93.07019	0.5
95.04935	0.1
95.08586	0.4
98.20750	0.3
98.98466	2.6
104.10733	2.2
105.07027	0.2
107.08620	0.3
109.10166	0.4
111.04443	0.1
119.08585	0.2
121.10201	0.2
125.00005	18.4
135.11713	0.2
143.01025	0.2
145.10170	0.1
163.11194	0.2
166.02699	0.2
184.07341	100.0
185.07698	1.1
196.44379	0.1
209.11783	0.3
222.08904	0.1
283.15427	0.6
320.74915	0.1
335.25711	0.6
425.11865	0.1
427.13855	0.1
496.33655	0.2
514.46924	0.1
543.36676	0.6
599.50909	0.1
650.43933	10.3
651.44257	0.5
722.45837	0.3
722.69110	0.1
740.47058	6.7
741.47253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05040	0.7
57.07054	0.3
58.06621	0.5
58.40099	0.1
59.07135	0.1
59.07400	0.4
60.08165	6.4
60.11440	0.1
67.05499	0.6
70.76485	0.3
71.04976	0.1
71.07372	2.9
71.12682	0.1
79.05492	0.3
81.07040	0.5
86.09705	30.3
87.10020	0.3
91.05480	0.1
93.07050	0.2
95.08616	0.4
98.98466	2.2
104.10741	2.6
105.07069	0.2
107.08585	0.2
109.10153	0.3
121.10146	0.1
123.63941	0.1
125.00004	19.4
133.75377	0.1
135.11685	0.1
143.01042	0.3
166.02676	0.2
184.07338	100.0
185.07677	0.7
222.09006	0.1
227.12883	0.1
227.58914	0.1
283.15460	0.3
306.28027	0.2
306.63690	0.1
333.07590	0.1
335.25888	0.3
353.51114	0.1
416.13406	0.1
418.91290	0.1
455.47427	0.1
496.34213	0.1
538.61298	0.1
539.16168	0.1
543.37036	0.3
551.22913	0.1
649.82397	0.1
650.43878	10.4
651.44171	0.4
722.45905	0.2
740.47070	7.4
741.47437	0.2
762.58514	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	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.9
55.01840	2.4
55.05513	11.6
57.03439	8.3
57.07031	1.7
60.08133	1.2
61.02893	1.0
65.03912	1.9
67.05505	35.3
68.82114	0.6
69.03401	1.2
69.07068	11.7
70.18494	1.6
70.18890	1.3
71.04956	2.8
75.11469	0.7
79.05495	32.2
81.03368	1.8
81.07056	40.6
82.53529	0.7
83.04994	3.5
83.08629	8.4
85.02876	1.3
85.06521	0.8
86.09709	3.4
89.09916	0.6
91.05479	14.1
93.07043	48.7
95.04977	6.9
95.08606	49.4
97.02878	3.8
97.06516	3.2
97.10142	1.4
99.04414	2.9
105.06400	0.8
105.07030	11.2
107.04960	6.2
107.08595	31.6
109.06490	1.5
109.10154	10.3
111.04371	0.9
111.08072	1.3
113.05944	1.0
117.06326	0.8
117.07001	8.2
119.07811	0.9
119.08581	13.2
121.06522	3.5
121.10137	18.8
123.08029	1.2
123.11698	3.0
124.99963	2.1
125.05923	2.5
130.07764	1.0
131.08574	4.2
131.58194	0.6
133.10149	6.6
135.08002	1.8
135.11693	43.1
137.13229	1.2
139.07498	1.7
139.11168	0.7
143.08559	0.8
145.10114	25.6
145.11278	1.3
146.97427	0.6
147.11652	2.5
149.13231	2.8
151.11110	0.7
152.50209	0.7
153.12730	1.2
153.27110	0.6
159.11633	2.1
161.13242	1.6
163.11183	50.1
164.11455	0.7
173.09624	0.9
173.13211	1.8
175.14723	0.9
181.12215	8.3
184.07362	13.4
185.07735	1.1
185.39963	0.6
187.14752	0.6
209.11725	0.8
227.12778	65.1
228.13205	1.1
243.21010	1.8
261.22171	6.8
283.15399	74.1
284.15683	2.3
306.27875	0.8
317.24771	2.6
335.25797	100.0
336.26404	3.4
471.40274	0.8
529.98224	0.7
543.36823	84.7
544.37183	4.4
638.01819	0.7
663.32916	0.8
740.46075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01860	2.0
55.05515	12.3
57.03441	8.8
57.07067	1.7
65.03931	1.6
67.05505	31.0
69.03420	1.1
69.07068	9.0
70.26867	0.8
71.04971	3.0
71.18413	1.1
74.00920	0.7
79.05492	28.4
81.03400	2.1
81.07058	35.8
83.04958	2.2
83.08620	7.9
87.06201	0.7
91.05484	11.9
93.07043	43.6
95.04988	5.7
95.08607	43.5
97.02902	3.4
97.06499	3.1
97.10163	1.0
99.04428	3.3
103.05421	0.8
105.07035	8.6
107.04974	7.5
107.08595	30.0
109.06517	1.7
109.10141	9.2
111.04435	1.1
111.08042	0.9
113.05959	1.2
117.07018	7.3
119.08582	10.4
121.06512	4.6
121.09322	1.2
121.10146	17.3
123.07993	1.0
123.11716	1.7
125.05993	2.2
125.80802	0.7
130.07822	1.5
131.08586	4.2
133.10133	4.2
135.08023	1.5
135.11690	45.7
137.13223	0.8
139.07521	2.0
145.10121	22.2
145.11275	1.1
147.11671	2.1
149.13240	2.9
153.12700	0.7
159.11713	2.0
161.13231	2.2
163.11182	57.2
163.14856	1.3
164.11543	1.4
164.59125	0.7
173.13260	1.7
181.12236	9.4
184.07343	3.6
209.11755	1.1
227.12785	69.7
231.90306	0.8
243.21115	2.5
261.22171	8.5
283.15399	100.0
284.15701	2.0
317.24692	2.1
335.25803	98.3
336.26141	1.7
495.03152	0.8
543.36823	92.9
544.37195	5.1
561.38068	0.8
623.21204	0.7
718.00031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01860	0.4
55.05495	0.4
56.89290	0.1
57.03441	1.1
59.05012	0.2
61.02921	0.8
64.15462	0.1
67.05503	0.2
67.98066	0.1
68.99808	0.2
69.03073	0.2
69.03429	3.2
69.07061	0.5
71.04992	6.7
73.02928	0.9
75.04453	0.2
79.05489	0.5
81.03415	3.8
81.07082	0.2
83.01322	0.1
83.04984	1.4
85.02901	15.2
87.04467	0.5
91.03964	0.1
91.05486	0.7
93.07050	0.1
95.04961	0.3
97.02888	6.6
97.06528	0.8
98.06863	0.2
99.04451	6.0
101.02368	0.2
103.03938	8.2
104.04269	0.1
105.03392	0.2
105.07007	0.3
107.04956	0.4
109.02877	5.0
111.00758	0.3
111.04436	1.2
113.06005	0.2
115.03912	0.3
119.04917	0.5
119.08601	0.1
121.02866	2.2
121.06462	0.2
123.04404	0.2
127.03912	15.1
129.05467	1.6
133.02870	0.2
135.04419	0.3
137.02338	0.4
137.05975	3.8
138.06316	0.4
140.99298	0.1
145.04955	7.2
147.04410	0.6
147.06493	0.3
151.03957	0.2
153.01839	2.1
157.06448	0.2
163.03859	0.3
163.06004	2.3
165.01816	1.1
169.04951	0.3
177.05386	0.2
180.06552	0.3
181.04901	0.1
181.06837	0.2
183.02882	0.7
185.05997	0.2
187.06020	1.2
199.05962	0.2
205.07060	0.2
213.05476	0.6
231.06506	0.4
233.11726	2.7
234.12067	1.0
237.07558	0.4
241.04951	0.5
250.14330	2.3
251.14754	0.8
253.07086	0.4
255.08601	0.4
258.05200	0.6
259.05875	0.3
269.04440	0.2
271.08179	1.5
273.09753	0.2
283.06079	0.2
283.09460	0.1
287.05481	100.0
288.05841	2.1
289.09265	0.8
299.05603	0.7
307.10193	0.4
311.05545	0.4
313.03397	0.1
325.06985	0.3
329.06522	3.6
353.06628	0.8
355.07819	0.2
379.08124	0.3
395.07666	0.4
397.09070	1.0
399.13123	0.1
415.10190	0.6
433.11304	1.6
557.12610	0.2
575.14099	0.3
593.14703	0.4
661.18341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01869	2.9
55.05508	3.5
57.03437	5.9
59.05013	0.4
61.02926	8.3
65.03951	0.6
66.64321	0.3
67.05504	9.1
67.17869	0.3
69.03427	21.6
69.07066	43.8
70.94550	0.3
71.01352	0.4
71.04995	3.3
73.02912	3.1
73.06548	5.9
77.03945	0.5
79.05486	7.3
81.02917	0.4
81.03416	11.5
81.07055	15.0
82.07409	0.3
83.01356	0.8
83.04980	0.4
83.08622	1.2
85.02902	65.6
85.06525	0.5
87.04470	3.8
91.03952	3.8
91.05479	8.8
93.07040	11.0
95.04976	2.6
95.08599	8.3
95.09159	0.6
97.02891	23.3
97.06528	11.8
97.10172	0.9
98.20777	0.7
99.04446	4.3
99.08100	0.7
101.02387	0.7
103.03953	0.5
103.05469	0.5
105.07026	13.2
107.04982	1.5
107.08591	15.5
109.02883	9.1
109.06513	19.5
109.10155	16.2
109.10926	0.6
115.03909	1.0
115.05453	1.0
115.07565	25.1
117.07018	4.6
119.04919	0.4
119.07788	0.6
119.08580	8.5
121.06543	0.5
121.10139	18.0
123.08117	0.6
123.11686	3.8
125.09621	2.5
127.02956	0.7
127.03912	14.9
127.11185	2.2
128.06226	1.3
129.07001	5.5
129.07904	0.5
130.07748	0.5
131.08562	13.9
133.10129	19.7
135.11703	4.5
137.05885	0.6
137.13223	0.4
141.06941	1.7
142.07770	5.3
143.08551	10.7
144.09373	0.7
145.04950	10.1
145.10118	14.9
145.12265	1.2
147.04408	5.6
147.11684	24.7
148.12029	0.5
149.09628	1.1
149.13254	5.2
151.07552	0.5
151.11188	0.9
155.08546	3.2
157.10124	52.1
158.10625	0.7
159.11688	21.5
160.12144	0.3
161.09688	0.4
161.13255	5.2
163.06018	1.0
163.11185	1.4
163.14859	1.0
165.07220	0.4
167.10678	15.3
169.10133	3.6
169.12201	0.3
171.11681	11.3
171.13142	0.6
173.13257	6.8
173.14664	0.5
175.11166	1.4
175.14871	1.0
177.05560	0.3
181.10080	0.6
181.12289	0.4
182.10892	0.5
183.11691	5.3
184.12514	0.3
185.13272	4.2
186.14079	0.7
187.14771	1.5
195.11728	0.8
196.12512	1.0
197.11488	0.7
197.13235	9.0
197.15005	0.6
198.14088	0.5
199.14832	2.7
201.16490	0.5
209.13374	0.7
211.14809	6.1
212.15375	0.5
213.16315	2.0
223.14835	0.6
224.15575	2.1
225.16360	4.4
227.17946	0.7
229.29152	0.3
235.14923	0.4
238.17152	1.4
239.18005	0.8
251.12813	0.5
251.17973	3.1
253.19502	100.0
254.19792	2.0
255.21056	6.5
265.19617	1.2
269.13892	1.0
269.18979	0.6
271.20551	44.6
272.21054	0.6
273.07629	0.9
273.22226	0.3
283.24197	7.9
287.14871	0.4
309.66449	0.3
313.03430	0.7
313.21393	0.4
315.05090	0.6
316.26901	0.3
355.08136	0.9
361.28979	0.7
373.07825	0.4
379.22720	0.5
379.29926	4.0
397.23438	0.7
397.31030	6.1
399.10815	0.7
413.12357	0.4
415.24857	0.9
415.32059	3.8
433.25867	48.7
434.26178	0.9
559.36243	0.8
575.35272	0.5
577.37354	66.3
578.37708	1.5
655.38446	0.4
685.39111	0.6
703.40247	1.6
721.40692	0.5
739.42609	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	738.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05035	0.6
56.98330	0.1
57.03427	0.2
57.07078	0.4
58.06358	0.2
58.06625	0.4
59.16930	0.1
60.08165	5.5
60.79359	0.2
63.98427	0.2
67.05507	0.3
70.76850	0.3
71.07374	2.6
71.08612	0.3
79.05505	0.2
81.03423	0.5
81.07056	0.5
83.08624	0.2
85.10184	0.2
86.09707	28.7
87.10074	0.3
95.05018	0.2
95.08598	0.4
98.98465	2.3
104.10743	2.2
105.07055	0.3
119.08592	0.2
125.00008	18.2
125.38858	0.2
143.01062	0.4
165.21190	0.2
166.02692	0.2
184.07343	100.0
185.07739	1.1
193.12245	0.2
240.37234	0.2
267.15872	0.5
288.50119	0.1
301.16104	0.2
313.27322	0.5
316.86731	0.1
381.23663	0.2
436.55969	0.1
505.38763	0.6
688.45428	11.6
689.46301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03324	0.3
53.03901	0.3
55.01852	0.9
55.05474	1.0
57.03399	0.7
58.48434	0.3
61.02884	1.3
64.11039	0.4
67.05502	2.3
69.03442	2.1
69.07041	1.1
69.31436	2.2
69.31858	1.3
71.04939	0.4
73.02870	0.6
79.05495	2.2
81.03415	1.8
81.07077	2.5
83.04941	0.6
83.08591	0.4
85.02901	3.4
86.09676	0.5
91.03881	0.5
91.05480	1.6
93.07024	2.1
95.04956	0.8
95.08578	0.9
97.02865	1.6
99.04402	0.5
101.17908	0.3
103.05441	0.5
105.06996	1.5
107.04910	1.3
107.08540	1.2
109.02839	0.5
109.06508	0.3
109.10150	0.8
117.07019	0.8
119.08536	1.4
121.10171	0.7
125.09623	0.4
127.03896	0.8
131.04961	0.5
131.08534	1.2
133.10109	0.6
135.08011	0.4
137.06021	1.9
145.04861	0.4
145.10094	0.7
149.09560	0.7
157.10056	0.3
161.13284	0.4
163.07475	0.7
163.11169	0.6
184.07335	1.2
202.07784	1.3
203.08554	2.0
215.08566	0.5
227.12683	0.8
231.08087	6.0
242.07237	1.2
243.08014	0.6
246.04544	0.3
247.07449	0.6
250.01924	0.4
255.55843	0.3
258.06775	3.7
259.07550	59.7
260.08008	3.7
269.06018	0.4
271.07584	0.8
273.18817	0.4
273.21753	0.4
275.20020	1.0
283.15494	0.4
287.07016	1.5
289.08600	0.5
291.19583	0.8
297.05457	0.7
315.06686	0.6
349.23712	0.6
407.10934	0.4
408.11591	1.3
443.86600	0.4
455.14319	0.9
456.15591	0.5
458.12967	0.5
471.13519	0.4
472.14767	0.6
473.15454	1.5
482.12329	0.4
483.13733	1.1
484.14566	5.4
485.15292	0.6
491.17023	0.5
495.14160	0.5
499.13455	0.6
500.14099	2.9
501.07535	0.8
501.14902	16.7
502.15240	1.5
511.13602	2.1
512.14001	1.4
513.14886	0.7
518.15277	0.5
519.15796	0.8
522.12305	0.8
527.13159	1.0
528.13416	0.6
529.14355	8.2
529.21826	0.7
530.14948	0.7
538.11884	0.5
539.12885	1.6
539.34186	0.6
540.13593	1.2
541.14178	0.5
545.14362	0.5
547.15674	1.9
556.13226	1.4
557.13843	4.8
557.35016	0.9
558.14526	4.7
559.15424	0.6
575.14886	100.0
576.15350	8.5
617.15985	1.4
701.38348	0.4
724.90582	0.4
735.36169	0.4
737.20166	15.9
737.37488	1.6
738.19934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.5
53.03942	2.5
55.01873	4.2
55.05508	14.8
57.03148	0.7
57.03436	14.5
57.07084	0.6
59.04996	2.4
61.02918	1.7
65.03950	0.6
67.05504	16.4
68.34998	0.4
69.03430	3.8
69.07066	5.0
69.40668	4.7
71.01362	1.4
71.04969	2.6
73.02918	1.4
79.05056	1.1
79.05494	15.3
81.03416	69.5
81.07056	22.4
82.03745	0.6
83.04980	6.2
83.08618	23.0
85.02907	4.2
85.06535	1.6
86.09693	0.6
87.04478	0.6
91.03947	1.1
91.05478	28.3
93.07045	16.9
95.04967	21.5
95.08601	7.0
97.02898	6.9
97.06512	4.2
97.10169	6.3
98.20740	1.0
99.00815	14.4
99.04434	1.2
99.08073	0.7
101.02380	0.7
103.05456	1.8
103.84284	0.5
105.07028	22.0
107.04958	12.3
107.08595	10.8
109.02873	12.1
109.06512	7.0
109.10159	5.5
111.04430	2.5
111.08073	9.7
113.05991	1.5
115.03918	2.9
115.05500	1.4
117.07010	4.0
119.04929	1.6
119.08579	16.4
120.08037	0.5
121.06507	9.9
121.10126	6.3
122.06044	0.6
123.04404	3.1
123.08040	3.1
123.11720	2.8
125.06000	0.9
125.09618	6.3
127.03893	3.8
128.06224	1.9
129.07004	7.8
131.04907	1.1
131.08580	9.2
133.06499	3.8
133.10126	35.8
135.04402	0.8
135.08095	2.7
135.11705	2.7
137.05960	3.7
137.09586	2.7
139.03905	0.7
139.07550	2.8
142.07800	1.7
143.08569	4.6
145.06470	1.3
145.10097	2.7
147.04405	1.4
147.08046	3.6
147.11668	6.3
149.06088	0.6
149.09615	4.9
151.03879	0.5
151.11191	11.1
153.06908	0.7
153.09113	1.0
155.08614	0.6
157.10109	9.5
159.08080	0.8
159.11662	0.6
161.06030	1.0
161.09616	21.2
162.09895	0.5
163.07552	1.4
163.11200	3.4
165.09128	1.3
165.12764	1.7
166.08647	0.6
168.19449	0.5
169.10220	0.6
171.08041	4.0
171.11757	0.5
173.05898	0.5
173.09576	0.9
173.13249	1.0
174.96996	0.5
175.11177	8.7
177.05542	1.1
177.09235	0.7
179.10664	11.2
184.07332	1.2
185.09572	0.7
185.13264	0.8
189.05353	0.5
189.09126	12.2
189.11198	4.0
189.12682	0.7
191.10623	0.5
191.14355	1.1
193.12247	19.7
194.12579	0.6
195.11720	0.7
197.11661	3.1
200.26770	0.6
201.12727	0.6
205.12347	0.8
207.10172	3.9
209.11769	1.5
211.05115	0.5
211.13321	2.3
219.13794	8.6
225.11214	13.4
227.10898	0.6
227.12730	3.6
235.13190	0.7
243.12177	1.5
249.14857	1.9
263.12787	1.2
267.15906	87.6
268.16281	2.0
270.59900	0.5
273.14728	0.6
281.13870	6.2
283.15381	1.6
299.14886	73.9
300.15317	2.1
301.14130	0.8
309.17001	0.8
335.19992	0.7
353.21277	0.8
371.22455	1.2
381.20563	1.4
389.23080	1.3
390.77060	0.6
399.21652	1.6
417.22867	1.5
445.25818	10.8
455.24026	0.8
459.27206	2.6
463.26871	6.8
473.25339	30.6
474.26062	0.8
477.28403	2.9
479.22354	0.6
491.26392	100.0
492.26791	4.9
509.27350	5.5
523.29077	0.7
533.27545	2.4
538.35529	0.6
587.28094	0.6
599.28131	0.8
738.40601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
53.43656	0.1
55.05510	6.5
57.07058	0.2
58.06593	0.3
65.99127	0.1
67.05492	0.3
69.03458	0.2
69.07059	0.4
69.48509	0.7
69.48927	0.5
70.06596	1.0
71.04984	0.1
81.03443	0.2
81.07056	0.6
82.06579	1.9
83.04984	0.6
83.08622	7.5
84.08136	0.5
85.02900	0.7
85.06551	0.5
91.05463	0.2
94.06590	0.2
97.02892	0.3
97.06521	0.8
98.09689	1.2
98.21472	0.2
100.07618	2.4
100.11258	46.2
101.11587	0.4
109.02903	0.2
110.06046	1.5
111.04440	4.2
112.07597	1.4
112.11237	0.5
117.13906	0.9
126.09144	1.0
127.08688	1.3
128.07072	3.4
129.05472	0.2
133.10208	0.2
135.11671	0.2
136.07547	0.2
137.05994	0.4
139.08669	3.0
140.07037	1.3
145.04965	0.2
147.04338	0.3
147.11668	0.5
164.06932	0.2
164.14397	0.4
166.15918	0.4
177.05554	0.1
182.15410	15.5
187.07793	0.1
192.12247	0.1
192.13716	0.7
199.21657	0.2
209.16498	21.5
210.14893	19.0
211.15245	0.3
226.19148	6.9
227.17525	1.5
228.15967	1.9
233.11679	0.2
246.14891	0.2
264.15805	0.2
308.26962	0.9
309.25308	0.4
326.28015	4.0
335.24380	1.2
336.22794	4.7
343.30780	0.4
382.65808	0.2
417.32196	0.8
435.33344	9.9
436.33365	0.2
453.34366	100.0
454.34686	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	734.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
53.91801	2.3
55.01876	4.9
55.05506	20.6
57.03435	11.9
59.04991	3.5
61.02916	6.4
62.95141	2.3
65.03928	3.4
67.05505	100.0
69.03429	11.2
69.07061	21.2
71.04992	8.2
73.02908	2.6
76.75110	2.3
79.05488	26.3
81.03403	13.0
81.07056	45.3
82.07413	3.2
83.04988	11.7
83.08608	15.1
85.02908	10.9
85.06545	5.2
86.09742	4.5
91.03947	4.1
91.05490	23.5
93.07042	32.5
95.04960	12.4
95.08613	17.9
96.37611	2.3
97.02900	5.8
97.06531	20.2
97.10177	19.4
99.08064	2.7
105.07037	18.2
107.04940	6.9
107.08578	19.8
109.02892	3.2
109.06506	9.7
109.10158	76.3
111.04459	5.9
111.08096	6.8
115.07547	6.9
117.06995	10.2
119.08590	22.9
121.06505	6.7
121.10133	10.7
123.08089	16.0
123.11742	2.8
125.09638	13.8
126.80547	2.4
129.06996	6.5
131.08566	12.3
133.06491	4.6
133.10117	13.2
135.08051	5.1
135.11705	8.4
137.05977	7.3
137.09610	6.0
138.09120	3.0
139.11221	3.0
143.08569	6.3
145.10138	11.0
147.08032	6.5
147.11710	5.3
149.09647	6.7
157.10123	4.6
159.11687	8.2
161.09602	6.7
163.03946	2.9
163.11212	9.3
171.08293	2.8
171.11632	2.4
173.09579	4.2
173.11778	22.1
175.11215	3.0
177.05412	4.0
177.12703	3.6
181.12253	3.0
184.07324	6.6
185.13248	2.7
189.11217	9.7
191.10762	3.6
193.12166	3.9
204.01839	2.6
217.15912	2.6
223.13309	3.4
227.12743	16.7
229.14368	89.0
245.18996	4.2
269.17511	4.7
273.18494	27.0
291.19550	44.8
291.22534	4.5
309.20761	4.6
347.22208	8.7
365.23221	25.1
383.24179	11.6
399.23810	3.0
423.27414	11.4
501.32016	10.3
519.33148	68.9
537.34186	41.7
573.33618	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	732.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01862	1.1
57.03413	1.1
59.38348	0.6
61.02918	0.8
67.01852	1.0
67.05498	1.0
68.99768	1.0
69.03425	2.1
70.06577	1.2
71.04993	1.9
71.08990	0.9
71.09320	1.6
76.70384	0.7
77.98502	0.8
79.05468	1.9
81.03419	13.6
81.07023	1.2
85.02897	3.0
89.03910	2.9
91.05482	1.6
93.07021	1.4
95.04958	1.7
95.08624	0.7
97.02888	3.3
97.06561	1.0
99.04459	16.0
103.03931	1.6
105.07010	1.8
107.04958	1.8
107.08543	1.5
109.02883	21.8
109.10226	0.7
110.91673	0.6
111.04427	0.7
113.42563	0.6
115.05488	0.7
117.03374	3.6
119.04932	1.0
120.08104	1.0
121.02872	4.7
122.06051	1.5
127.03918	51.4
128.04262	1.0
128.06169	0.7
135.04416	11.8
137.05984	1.9
139.03914	0.8
145.02841	9.9
145.04922	5.7
163.03909	100.0
164.04279	2.1
166.08659	1.2
167.07025	1.1
169.04973	51.4
177.05493	3.0
181.04965	3.1
187.06007	11.5
187.11147	0.8
225.10281	0.9
229.07091	18.0
267.11304	1.0
271.05917	3.3
289.06732	3.4
289.09793	1.1
313.11716	1.4
331.08118	18.7
409.11343	9.4
419.25659	0.7
441.36597	0.7
452.17337	0.8
479.94867	0.8
483.06177	0.8
515.16821	1.1
570.29572	1.2
593.23346	1.2
642.31543	1.6
731.34113	1.3
732.34875	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	734.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01868	0.8
55.05487	0.3
56.96565	0.3
57.03412	0.6
61.02914	0.6
65.03935	0.6
67.01881	0.8
67.05501	0.7
69.03427	1.6
69.07045	0.3
71.01349	0.3
71.04987	1.1
71.59087	0.3
71.59518	0.5
73.02921	0.4
76.54362	0.3
79.05498	0.3
81.03419	12.2
81.07043	1.0
83.04987	0.4
85.02899	2.2
86.09681	0.3
91.04969	0.5
91.05480	4.9
93.07037	0.7
95.04953	1.3
97.02896	2.4
97.06513	0.6
99.04453	8.9
103.03926	1.1
105.07014	0.7
107.04948	0.5
107.08559	0.4
109.02876	28.4
119.04935	12.1
121.06515	0.5
121.10162	0.5
123.03677	0.3
123.04419	1.7
123.08012	0.4
125.02367	0.8
127.03915	31.9
135.08008	0.4
137.05966	1.1
143.22379	0.3
145.02846	0.4
145.04935	3.3
147.04402	100.0
148.04739	1.4
151.03903	1.0
157.06479	0.5
163.03862	0.5
165.05446	0.3
165.75526	0.3
166.08646	0.4
167.07065	0.4
167.46190	0.2
169.04953	25.3
177.05482	1.0
179.03458	0.5
187.06018	8.5
211.05989	5.4
229.07065	15.3
230.07565	0.4
255.06386	1.5
272.75513	0.3
273.07565	6.2
274.08057	0.3
278.04373	0.4
289.09149	6.5
315.08624	17.8
323.04639	0.9
324.05014	1.2
325.04333	0.7
393.11749	10.6
394.11917	0.5
410.13992	0.6
435.13757	0.3
450.58130	0.3
734.37469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
55.01874	0.4
57.15728	0.2
58.46856	0.2
65.03929	0.4
67.05497	0.4
69.03419	0.3
71.32314	0.3
76.21840	0.2
77.03954	0.3
79.05493	0.8
81.07064	0.5
85.02940	0.3
89.03940	0.3
91.05473	1.7
93.07004	0.2
94.04182	1.8
95.04972	0.5
97.06516	0.2
103.05463	6.5
105.07027	1.4
106.50724	0.2
107.04963	1.3
107.08569	0.3
109.02869	0.2
109.06503	0.5
111.04390	0.2
115.05466	0.8
117.03352	0.3
117.07024	2.0
119.04942	0.6
119.08583	0.4
121.06496	0.3
122.03646	4.7
128.06213	0.6
129.07001	1.4
131.04927	17.1
131.08577	0.3
132.05243	0.2
133.02863	1.5
133.06496	2.1
135.04407	0.3
137.05974	100.0
138.06291	2.1
141.05492	0.4
141.06996	0.3
143.04890	0.5
143.08553	0.2
144.05656	0.4
145.06474	4.1
146.03632	0.5
147.04381	0.9
147.08012	1.0
149.06003	1.8
151.03912	7.5
151.05003	0.5
151.07521	1.9
152.04333	0.2
153.05513	0.2
153.06995	0.4
155.04932	0.3
155.08559	0.7
156.05707	0.4
157.06488	1.5
159.08080	1.1
160.05188	0.3
161.05975	7.6
163.07538	41.9
164.07881	1.1
165.05504	0.4
165.06985	0.3
165.09111	2.2
166.06297	0.2
167.07065	1.0
169.06487	0.7
171.08009	0.2
172.05212	0.6
174.06775	0.6
175.07542	3.7
177.05472	0.5
177.09102	9.1
178.09537	0.2
179.07031	4.3
181.06409	0.4
183.08063	0.7
185.04326	0.2
185.05995	0.4
187.07539	17.4
188.07965	0.6
189.07381	0.3
189.09100	4.5
190.07816	0.2
190.09377	0.2
191.08594	0.9
191.10077	0.2
193.08620	0.4
199.07440	0.4
201.09186	1.0
202.07716	0.2
203.10674	0.4
205.08556	0.8
207.10150	2.3
211.07509	0.3
213.09048	0.9
215.10648	1.2
217.08554	0.2
218.07256	0.2
219.08008	1.6
219.10156	2.2
222.06860	0.2
231.10168	0.6
233.11717	0.7
235.07509	0.3
236.08284	0.4
237.09068	0.3
237.11220	3.4
243.10127	0.3
245.09676	0.3
247.07542	0.6
251.10686	1.4
253.08620	0.2
263.07104	0.3
264.07693	0.3
265.08609	1.1
277.08774	0.3
277.12009	0.3
278.09500	0.2
279.10159	1.9
280.11142	0.3
285.11154	0.3
291.10251	0.2
296.10403	0.4
297.11163	1.2
305.11670	0.5
309.11090	0.7
309.14532	0.3
311.12778	15.9
312.13077	0.5
313.45206	0.2
321.11398	0.2
323.12698	0.5
325.14407	0.4
337.14337	1.9
339.15762	0.4
341.14249	0.2
355.15363	1.8
356.15759	0.5
363.15756	0.5
373.16348	1.1
375.15775	0.4
381.17044	0.3
393.16904	0.6
405.22672	0.3
448.27756	0.2
493.14267	0.2
499.20914	0.5
505.21518	0.2
517.22156	0.7
535.23413	1.3
567.28015	1.1
729.20660	0.3
729.33038	5.8
730.32465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05518	1.2
55.33083	0.3
57.03438	1.7
59.04994	0.7
60.18777	0.3
61.02930	4.6
62.31951	0.3
67.05504	3.3
69.03430	3.3
69.07065	1.0
70.73048	1.1
71.04992	1.7
73.02913	2.7
79.05492	3.3
83.04977	1.6
83.08613	1.8
85.02904	5.3
87.04467	0.8
91.03957	2.5
91.05484	4.4
93.07030	2.9
95.04960	2.8
95.08614	2.0
97.02890	4.8
97.06561	1.0
97.10167	0.6
99.04448	0.6
101.02384	1.2
103.03960	0.4
105.07046	2.4
107.04967	1.0
107.08614	1.8
109.02894	1.4
109.06554	0.8
109.10173	0.9
111.04443	0.4
111.08092	0.8
113.06091	0.4
117.07047	0.6
118.98917	0.3
119.04935	0.4
119.08601	2.3
121.10123	1.8
122.06090	0.4
123.08115	0.6
127.03932	1.9
129.07048	1.3
131.08553	2.2
133.10144	1.9
135.11723	0.6
137.05977	2.4
137.13214	0.3
138.06409	0.3
145.04967	0.5
145.10118	0.3
147.08012	0.4
147.11682	2.2
149.09674	2.1
151.03966	0.4
153.05400	0.4
157.10074	1.8
158.99802	0.4
163.07556	0.9
166.08722	0.5
175.07732	0.5
175.11124	1.7
175.40315	0.4
177.05504	0.8
184.07401	0.4
185.04236	0.7
193.12218	2.7
197.15411	0.5
199.07216	0.4
211.13359	1.1
225.14938	0.8
233.11697	0.4
243.08455	2.4
251.12572	1.1
259.07947	0.4
267.16031	1.1
275.07147	0.4
283.15137	3.6
307.15396	0.6
339.17999	1.0
350.24200	0.4
413.18115	0.4
469.20471	11.5
469.27023	0.6
501.23050	10.9
502.23282	0.4
538.85223	0.4
549.31683	0.4
567.31610	0.8
587.19794	0.3
639.30212	1.6
657.30511	0.5
711.31274	0.4
723.44159	0.4
729.36652	100.0
730.36914	4.4
744.51752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
57.03424	0.2
57.87069	0.2
65.03934	0.4
66.04702	0.3
67.05495	0.4
69.03445	0.3
69.78519	0.4
69.78925	1.1
71.04970	0.3
77.03933	0.4
79.05489	0.9
81.03384	0.2
81.07052	0.6
83.04980	0.2
85.02897	0.5
87.04448	0.2
89.03934	0.2
91.05480	1.6
93.07031	0.2
94.04179	1.7
95.04968	0.6
95.08621	0.3
97.02927	0.2
97.06512	0.2
103.05463	11.2
104.05787	0.3
105.07043	1.4
107.04951	0.9
107.08600	0.2
109.06505	0.5
111.04421	0.3
115.05475	1.5
117.07013	2.6
119.04932	0.7
119.08533	0.4
121.06466	0.3
122.03651	4.7
128.06227	0.4
129.07005	1.4
131.04927	28.6
132.05173	0.4
133.02869	1.0
133.06483	1.5
135.04373	0.3
135.08003	0.4
137.05974	100.0
138.06314	2.0
138.09145	0.3
141.06999	0.4
143.04913	0.8
143.08575	0.3
144.05717	0.4
145.06482	4.6
146.03584	0.4
147.04475	1.1
147.08046	0.8
149.05974	1.6
151.03925	1.7
151.07553	1.9
153.07028	0.4
155.04907	0.3
155.08611	0.5
156.05698	0.3
157.06494	0.8
159.08078	1.8
160.05176	0.8
161.05977	5.9
162.06734	0.3
163.07538	63.7
164.07939	1.5
165.05511	0.2
165.06982	0.3
165.09134	2.1
166.06229	0.2
167.07010	0.6
169.06451	0.5
171.08009	0.3
172.05119	0.3
174.06735	0.3
175.07545	6.2
177.05443	0.9
177.09096	8.9
179.07027	4.3
181.06488	0.5
183.08066	0.6
184.07413	0.2
187.07542	25.9
188.07916	0.7
189.09131	2.9
191.08647	1.3
191.10213	0.3
193.08620	0.4
199.07542	0.3
200.08290	0.3
201.09059	1.0
203.10672	0.8
205.06673	0.4
205.08545	1.6
207.10175	2.0
213.09090	1.2
215.10692	1.7
219.08006	1.8
219.10165	2.4
231.10153	0.5
233.11758	0.8
235.07570	0.3
235.45906	0.2
236.08241	0.5
237.09140	0.4
237.11256	3.0
243.10141	0.7
245.09567	0.3
247.07469	0.6
248.08098	0.3
251.10651	1.1
253.08888	0.3
253.80792	0.2
261.09311	0.3
265.08539	0.7
277.08524	0.3
278.09393	0.3
279.10141	2.3
280.10980	0.4
285.11380	0.3
291.10190	0.4
295.09427	0.2
296.10287	0.3
297.11224	0.8
305.11624	0.5
309.11359	0.5
311.12772	14.3
312.13147	0.5
317.12009	0.2
323.12714	0.5
337.14365	1.7
339.15942	0.7
355.15363	1.2
356.15732	0.5
357.16489	0.4
363.15842	0.3
373.16260	0.5
375.15750	0.4
393.17041	1.4
439.32431	0.2
487.20688	0.3
491.20688	0.3
499.20944	0.7
517.22076	0.5
525.33087	0.2
535.23126	1.4
729.31641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54905	0.8
53.03937	0.9
55.01867	3.4
55.05501	4.7
57.03432	4.5
57.22873	0.9
62.19867	1.0
65.03938	1.0
67.05506	28.1
68.57951	0.9
69.03420	2.0
69.07076	8.1
69.35090	5.6
69.35513	3.5
71.04986	2.4
71.08623	1.2
72.86138	0.8
79.05503	11.8
81.03421	2.1
81.07059	28.4
83.04970	3.3
83.08620	3.9
85.02885	1.4
85.06537	2.6
85.10106	0.9
86.09701	1.5
90.60783	0.9
91.05486	18.0
93.07053	14.3
95.04970	2.7
95.08603	10.9
97.02900	1.0
97.06513	2.4
97.10170	1.7
98.21510	2.0
99.04470	1.6
101.19373	1.0
104.10722	0.8
105.07038	15.9
107.07874	1.2
107.08599	18.5
109.06542	2.1
109.10160	32.2
110.10519	0.9
111.08111	1.3
113.06035	1.3
117.07037	2.1
119.08560	3.3
121.10159	6.3
123.11702	5.9
125.09658	0.9
127.07564	1.6
131.08586	3.2
133.10133	33.1
135.11682	3.6
137.13240	1.1
140.16003	0.9
145.10097	2.4
147.11687	1.3
148.82520	0.9
149.13266	2.1
151.11201	18.8
157.10265	1.0
157.75204	0.8
159.11684	2.3
161.09586	1.4
161.13245	1.6
163.14803	1.1
169.12267	4.0
173.13234	1.8
184.07358	5.0
215.12869	1.6
243.21123	2.8
253.14360	100.0
254.14725	3.4
261.22113	9.4
270.34219	1.1
271.15405	29.6
279.23010	1.3
306.34784	0.9
317.24942	1.9
322.35086	1.0
335.25827	28.5
393.42889	0.9
457.33139	1.5
513.35687	10.3
514.35687	1.2
531.36859	40.0
532.37195	2.4
664.66650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01875	2.7
55.05515	7.3
57.03435	4.8
57.07081	1.2
61.02922	2.7
65.03953	1.6
67.05508	36.8
69.03423	2.6
69.07076	8.1
69.40382	3.5
69.40797	6.8
70.86186	1.1
71.05002	1.7
79.05502	19.0
81.03433	3.1
81.07062	31.8
83.04971	3.7
83.08601	2.6
85.02908	2.6
85.06548	2.8
85.10159	1.0
86.09704	1.7
91.05489	21.5
93.07049	20.0
95.04967	4.3
95.08605	15.3
97.06546	2.8
97.10171	2.3
99.04510	1.2
105.07034	19.5
107.04974	1.4
107.08601	23.1
109.06520	2.2
109.10165	37.5
113.05986	2.2
117.07025	2.3
119.08596	3.2
121.10169	5.8
123.08091	1.4
123.11691	8.0
127.07560	2.2
131.08585	3.6
133.10136	42.1
135.11719	4.8
143.08635	1.3
145.10126	2.8
147.11693	1.3
149.13290	2.5
151.11185	19.5
159.11697	1.5
161.13344	1.1
163.11223	1.0
163.14839	1.5
169.12244	2.9
173.13284	2.1
184.07312	6.1
187.14749	1.1
196.64987	1.1
215.12819	3.4
243.21118	3.2
253.14372	100.0
254.14746	2.5
261.22141	12.1
271.15421	30.6
283.15179	1.4
317.24878	2.1
335.25842	27.4
336.26465	1.6
439.31671	2.0
513.35938	9.6
531.36829	36.3
532.37073	3.2
549.37585	1.9
727.88098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.1
56.05029	0.6
58.06300	0.1
58.06621	0.5
59.07379	0.1
60.08161	6.3
67.05515	0.4
69.07049	0.2
70.06611	0.1
71.07373	3.3
74.21812	0.1
79.05492	0.4
81.07031	0.5
83.04964	0.1
83.08612	0.1
84.09412	0.1
86.09702	31.8
87.10029	0.2
91.05476	0.2
93.07043	0.4
95.04955	0.1
95.08619	0.4
95.72745	0.1
97.02904	0.1
98.98460	2.7
104.10738	3.2
105.07045	0.1
107.04945	0.1
107.08577	0.3
109.10143	0.2
116.99519	0.1
119.08596	0.1
121.10102	0.2
124.99998	19.8
126.00353	0.1
135.11662	0.2
143.01057	0.5
145.10161	0.1
163.11192	0.3
166.02650	0.2
177.63284	0.1
184.07330	100.0
185.07655	0.6
227.12657	0.1
229.24159	0.1
258.53143	0.1
389.81216	0.1
456.16541	0.1
466.22037	0.1
518.32306	0.2
529.35107	0.3
543.36737	0.2
549.67725	0.1
726.43353	13.8
727.43695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47618	0.1
55.05503	0.3
55.89375	0.1
56.05020	0.5
57.63400	0.1
58.06353	0.1
58.06614	0.4
59.07395	0.1
60.08163	6.0
63.95453	0.1
64.26252	0.1
67.05499	0.5
69.07073	0.2
70.31451	0.5
71.07373	2.9
76.09117	0.1
76.63076	0.1
79.05491	0.3
81.03409	0.2
81.07045	0.4
86.09705	30.3
90.93907	0.1
91.05465	0.3
93.07034	0.5
95.08599	0.5
97.57885	0.1
98.98460	2.7
104.10751	2.2
105.07027	0.2
107.08598	0.2
109.10157	0.3
112.71216	0.1
117.07026	0.2
119.08567	0.1
121.10179	0.1
125.00003	19.8
135.11722	0.3
143.01082	0.4
145.10071	0.1
166.02745	0.2
175.80421	0.1
184.07336	100.0
185.07661	0.5
207.60614	0.1
209.87679	0.1
271.15445	0.2
317.53049	0.1
335.25839	0.3
350.76144	0.1
361.13821	0.1
393.71960	0.1
466.21991	0.1
531.36554	0.1
550.57733	0.1
728.45001	7.3
729.45367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
56.05047	0.7
58.06620	0.5
60.08163	7.1
62.48631	0.1
65.89278	0.1
67.05493	0.8
69.03429	0.2
69.07063	0.3
69.94655	0.7
70.06609	0.2
71.07374	3.2
79.05481	0.4
81.07041	0.6
83.08602	0.2
86.09703	32.7
91.05468	0.2
93.07038	0.5
95.08600	0.4
98.20871	0.2
98.98461	3.1
104.10737	3.3
105.07048	0.2
107.08580	0.2
109.10168	0.2
119.08572	0.2
121.10091	0.2
125.00002	20.4
133.10187	0.2
135.11697	0.2
143.01093	0.5
145.10120	0.2
163.11154	0.2
165.37097	0.1
166.02660	0.4
184.07335	100.0
185.07713	0.7
239.77080	0.1
335.04767	0.2
415.53949	0.1
468.38120	0.2
503.37146	0.2
520.34131	0.4
545.38879	0.2
549.35565	0.2
728.44916	15.5
729.44580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55855	0.1
55.05527	0.4
56.05033	0.5
57.03426	0.1
57.07075	0.3
58.06638	0.4
59.07397	0.1
60.08165	5.3
63.58250	0.1
67.05505	1.4
68.05821	0.1
68.12832	0.1
69.03430	0.1
69.07076	0.3
69.81765	0.6
70.06619	0.1
71.04990	0.1
71.07378	2.6
79.05478	0.5
81.03411	0.3
81.07046	0.7
82.07397	0.1
83.04990	0.1
83.08646	0.2
84.08974	0.1
85.02937	0.1
86.09707	28.5
87.10026	0.6
91.05476	0.4
92.05804	0.1
93.07050	0.6
94.07364	0.1
95.04986	0.1
95.08620	0.5
96.08946	0.1
97.02903	0.1
97.06582	0.1
97.10187	0.2
98.98461	2.4
101.52043	0.1
104.10741	2.0
105.07049	0.3
107.08582	0.2
109.10149	0.6
110.10484	0.1
117.07039	0.1
119.08549	0.3
121.10152	0.4
122.10474	0.1
122.39888	0.1
125.00006	18.0
125.09628	0.2
126.00417	0.1
127.00404	0.1
131.08571	0.3
133.02837	0.1
133.10159	0.2
143.01053	0.4
145.10141	0.1
166.02687	0.2
173.11731	0.2
184.07344	100.0
185.07718	2.0
186.07808	0.9
335.25934	0.1
489.35614	0.3
490.36081	0.7
496.33917	0.2
688.45471	9.7
689.46082	0.6
724.46216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30267	0.1
55.05501	0.2
56.05028	0.6
58.06630	0.5
59.07380	0.2
60.08168	7.0
67.05500	0.5
69.07056	0.2
70.06585	0.2
70.76637	0.1
70.77019	0.2
71.07378	3.6
79.05481	0.5
81.07064	0.5
83.08637	0.1
85.02904	0.1
86.09711	34.6
87.10022	0.4
91.05493	0.2
93.07059	0.5
95.04935	0.1
95.08616	0.6
98.98469	3.1
98.99118	0.2
104.10753	3.4
105.07053	0.2
107.04955	0.1
107.08607	0.3
109.10184	0.2
116.99459	0.2
117.07065	0.1
119.08604	0.2
120.92651	0.1
121.10150	0.2
125.00012	23.6
126.00340	0.1
133.10146	0.1
135.11723	0.4
143.01057	0.5
145.10158	0.2
163.11240	0.2
166.02704	0.1
184.07352	100.0
185.07726	0.9
227.12685	0.1
243.39467	0.1
297.98566	0.1
335.25854	0.1
372.34711	0.1
448.20779	0.1
466.21368	0.1
477.42645	0.1
500.31567	0.1
518.32507	0.3
529.35529	0.5
543.37195	0.2
726.43445	13.9
727.43597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01873	4.3
55.05517	22.0
57.03439	19.7
57.07076	3.3
61.02914	3.5
67.05507	62.1
69.03427	4.6
69.07072	17.0
69.44954	19.5
71.04990	2.9
72.10148	2.1
79.05061	3.1
79.05498	46.8
81.03422	97.8
81.07062	66.1
83.04993	7.4
83.08615	24.1
85.02921	6.5
85.06522	2.1
87.80643	1.9
91.05489	36.0
93.07053	54.4
95.04976	29.4
95.08614	45.7
97.02886	3.9
97.06522	3.4
97.10172	7.7
98.20728	2.6
105.07034	29.4
107.04962	7.9
107.08591	28.5
109.06554	5.2
109.10162	20.2
111.04415	3.1
111.08100	9.6
117.07018	7.9
119.04958	1.9
119.08609	19.9
121.06480	4.4
121.10152	30.3
123.04420	2.5
123.08089	3.4
123.11710	7.8
125.09619	3.0
129.07036	11.0
131.08571	19.0
133.10132	15.4
135.07993	2.2
135.11674	15.7
137.09627	2.5
142.07794	2.6
145.10152	8.0
147.08008	2.7
147.11711	14.4
149.09663	4.9
149.13248	9.8
157.10126	12.6
159.11693	9.8
161.13368	2.9
163.11197	2.9
163.14836	5.0
165.12743	2.9
173.13289	8.1
175.11191	9.6
187.14847	3.3
189.11198	3.7
193.12239	19.8
227.12752	6.6
235.13135	3.2
243.21112	6.5
261.22168	20.7
267.15924	96.7
278.45404	2.8
301.13931	2.3
301.25256	5.6
309.17029	3.6
317.24710	5.1
335.25797	100.0
336.25909	2.4
378.37085	2.5
421.25906	2.4
435.32663	2.6
453.33731	7.0
479.71829	2.5
485.01627	2.1
527.37354	58.9
545.38483	23.9
569.38702	4.7
603.09888	2.3
635.39709	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	724.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04137	0.6
53.82837	0.7
55.01860	3.9
55.05512	13.6
57.03438	12.6
59.04982	1.5
60.08166	0.7
61.02898	2.5
67.05505	23.7
69.03423	5.4
69.07072	6.7
71.01327	0.7
71.05001	5.5
72.80097	0.6
73.02903	1.3
79.05492	23.0
81.03417	81.6
81.07057	27.3
82.03716	0.7
83.04568	0.9
83.04981	11.2
83.08618	23.3
83.60453	0.7
85.02905	11.8
85.06516	2.4
86.09706	3.8
87.04451	1.0
91.03937	1.4
91.05479	25.1
93.03413	1.0
93.06472	0.9
93.07046	18.0
95.04970	29.5
95.08613	10.1
97.02891	7.4
97.06539	4.4
97.10160	10.3
98.20734	2.0
99.04450	0.7
99.08035	1.0
105.07027	17.2
107.04954	11.5
107.08598	10.0
109.02872	2.5
109.06528	6.1
109.10153	9.2
111.04408	3.2
111.08081	8.5
113.05973	1.5
115.05425	2.1
117.06988	4.0
119.04902	2.0
119.08578	16.9
121.06517	6.2
121.09341	0.7
121.10148	11.7
123.04384	1.9
123.08053	3.8
123.11655	1.3
124.99966	2.1
125.05943	1.3
125.09634	7.9
127.03893	1.8
127.07491	0.8
128.06194	0.9
129.05478	1.6
129.06996	11.3
131.04878	2.4
131.08563	15.8
133.06473	5.4
133.10127	10.2
135.08061	3.4
135.11661	2.8
137.05986	2.7
137.09570	2.7
141.06949	1.1
142.07742	2.9
143.08539	2.6
145.02786	0.8
145.04866	1.0
145.06493	4.8
145.10106	5.0
147.04390	2.8
147.08058	5.4
147.11671	11.8
149.01186	1.5
149.09598	7.8
151.11160	1.2
153.09087	2.0
153.12662	1.6
155.08551	0.9
157.06488	1.5
157.10130	13.9
158.10440	0.8
159.08031	1.2
159.11720	1.6
161.05910	1.0
161.09587	2.1
163.03865	0.8
163.11137	5.8
164.06949	0.8
165.09093	0.9
165.12717	3.0
167.07024	0.8
171.11707	1.1
173.09602	1.3
173.11801	0.8
175.11197	13.8
177.05481	2.5
177.12764	1.1
183.08000	0.9
183.11646	0.7
184.07361	11.9
185.13196	1.3
187.11160	1.5
189.09283	1.1
189.11176	3.8
189.12688	1.1
191.10587	1.3
193.12236	35.0
195.11635	1.4
197.09564	0.8
197.13283	1.4
199.11217	1.3
199.13222	1.1
205.12306	1.3
207.11644	0.9
209.11722	2.9
211.11288	1.2
211.13263	15.9
211.15231	1.0
213.12727	1.3
217.12151	1.2
219.13716	1.3
227.12721	3.1
229.14388	4.1
231.13899	1.0
233.15349	2.3
235.13327	1.4
237.12683	1.0
241.14166	0.9
244.09618	1.6
244.59882	0.9
249.14850	2.7
255.13802	1.7
267.15912	100.0
268.16318	1.6
273.14774	5.6
275.07004	1.7
283.15292	4.6
285.16949	13.9
293.13199	1.0
301.16528	2.4
309.16962	1.1
325.12326	3.1
325.62460	3.1
339.23135	1.8
341.21371	1.4
349.17850	0.7
349.21484	3.5
357.23990	1.2
363.21899	1.0
365.23111	1.9
367.22641	10.8
374.15808	0.8
374.66281	1.2
375.16473	1.1
385.23746	15.3
403.24820	4.0
423.25439	0.9
433.25922	10.0
437.25070	1.1
441.26346	8.2
455.26627	0.9
459.27417	95.5
460.27811	2.2
477.28470	65.8
478.28854	2.4
491.30896	3.9
501.28604	1.5
509.27805	3.1
519.29498	0.8
527.28607	3.1
545.29498	1.1
567.30383	0.9
585.30487	1.7
603.32098	1.2
620.31207	1.0
724.20221	2.7
724.38361	1.3
725.32233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.6
53.03956	7.1
55.01874	12.2
55.05511	12.0
57.03436	13.3
59.04987	2.5
61.02918	4.9
62.22445	1.4
65.03931	3.4
67.05502	54.7
69.03431	6.1
69.07066	10.4
71.01351	3.1
71.04990	7.7
71.59394	2.2
73.02895	2.1
75.04458	1.4
77.03924	1.7
79.05487	49.1
81.03413	40.4
81.07057	37.7
83.04974	20.2
83.08614	11.1
84.04503	1.7
85.02902	13.1
85.06535	5.7
86.09686	8.2
87.04465	2.1
91.03974	2.5
91.05483	29.4
93.03403	1.4
93.07040	41.7
94.07278	1.2
95.01329	3.9
95.04965	25.2
95.08604	17.2
97.02917	6.8
97.06532	19.3
97.10155	4.6
99.00811	3.6
99.04463	4.2
99.08089	2.2
101.02422	1.8
103.05461	1.9
105.03413	1.4
105.07035	18.5
107.04955	55.8
107.08591	25.8
109.02870	8.8
109.06508	8.8
109.10170	9.2
111.04440	25.0
111.08080	12.0
113.06017	2.0
117.07021	15.2
119.04959	2.0
119.08582	23.3
119.41873	1.2
121.06499	10.1
121.10136	39.7
122.06011	3.2
123.04427	3.6
123.08064	3.4
124.99983	7.3
125.05999	4.2
125.09636	3.6
127.03928	7.1
129.05476	2.4
129.07019	7.1
130.07825	2.5
131.04936	4.2
131.08585	17.6
133.06491	2.2
133.10126	15.5
134.99600	1.5
135.08040	5.9
135.11687	40.5
136.07549	1.4
137.05956	6.9
137.09595	2.2
138.09193	1.4
143.08562	2.7
145.02866	3.7
145.05299	2.0
145.06470	11.9
145.10117	45.9
146.10466	1.4
147.04402	3.5
147.08047	5.1
147.11676	6.2
149.06047	1.9
149.09645	12.3
149.13293	2.2
151.07443	1.9
151.11179	3.2
153.06992	1.6
153.12741	11.2
155.08554	12.2
157.10132	5.0
161.05963	1.4
161.09573	7.0
163.03847	1.7
163.11182	56.8
164.07069	1.4
171.08000	3.0
171.11720	1.3
173.09622	39.6
173.13199	2.0
175.11243	3.9
177.05476	7.1
179.10719	2.4
181.12227	18.9
184.07333	28.2
189.09138	4.1
189.11143	3.0
191.10661	21.4
193.12257	6.2
209.11702	10.4
211.13344	1.8
219.13841	4.1
225.11226	2.9
227.12772	23.4
265.14352	99.9
266.14645	3.1
267.15894	30.2
283.15399	66.6
299.14847	24.4
301.16443	73.5
302.16711	2.5
427.24988	1.8
445.25589	8.1
455.24112	3.5
459.27310	5.7
463.26862	5.6
473.25330	35.6
474.25095	1.7
477.28485	7.4
490.17764	1.7
491.26385	81.7
492.26929	2.8
505.88129	1.5
509.27493	38.9
527.28491	100.0
528.28516	2.8
631.44006	1.7
674.32697	3.5
724.39264	2.7
725.31268	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	724.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01877	3.5
55.05515	11.1
56.93594	0.2
57.03444	4.2
57.07051	0.3
58.80445	0.3
59.04984	0.6
61.02928	4.3
65.03919	0.7
67.05506	14.6
68.05797	0.4
69.03432	5.3
69.07073	13.3
69.52543	0.2
69.64089	1.8
71.04990	1.3
73.02937	1.3
74.93484	0.3
79.05494	13.0
80.05823	0.3
81.03421	8.5
81.07058	12.7
82.03738	0.3
83.01312	0.4
83.04981	3.0
83.08152	0.4
83.08625	6.4
83.92117	0.3
85.02436	0.4
85.02905	5.9
85.06527	0.6
86.09686	0.7
87.04440	0.3
91.03967	2.4
91.05485	9.4
91.06997	0.3
93.06486	0.6
93.07049	11.1
95.01317	0.3
95.04976	6.1
95.08059	0.5
95.08611	6.7
97.02898	8.0
97.06529	2.6
97.10172	7.4
98.21516	0.4
99.04426	0.9
103.05423	0.7
105.03337	0.3
105.07030	8.3
107.04966	3.7
107.08595	9.2
109.02867	1.0
109.06516	2.0
109.09459	0.5
109.10156	7.7
110.09663	0.4
111.04424	1.0
111.08071	1.9
115.03925	0.5
115.05445	0.7
117.07031	3.3
119.04898	0.5
119.08585	6.6
120.08116	0.3
121.06505	2.8
121.10157	3.9
123.04448	0.7
123.08076	3.0
123.11681	1.2
124.99988	0.8
125.08774	0.4
125.09643	7.2
127.03880	1.5
128.06203	0.3
129.05505	0.4
129.07027	1.8
131.04912	0.6
131.08562	4.6
133.06471	2.0
133.10143	7.1
134.07329	0.4
135.08081	3.0
135.11703	1.7
137.05974	0.8
137.09630	1.5
141.07001	0.4
143.08559	1.6
143.10602	0.4
144.91394	0.3
145.04941	0.9
145.06458	0.7
145.10117	3.2
147.08061	3.2
147.11687	2.2
149.05977	0.3
149.09636	1.9
149.13251	1.1
151.11195	2.5
153.06886	0.3
153.09108	0.7
153.12766	0.4
155.08530	0.5
157.10135	2.0
159.08075	0.6
159.11717	1.3
161.09631	2.0
161.13197	0.6
162.10382	0.4
163.06013	1.0
163.07382	0.3
163.11177	2.0
165.09094	1.3
169.12219	0.7
171.10159	0.7
171.11662	1.4
173.09615	0.7
173.11749	0.7
173.13211	0.4
175.11197	2.2
177.05475	0.7
177.09172	0.3
177.12753	0.6
179.10655	0.5
184.07393	2.1
185.09465	0.5
185.13220	0.7
187.11159	0.4
187.13182	0.3
187.14926	0.3
189.09447	0.3
189.11215	2.9
189.12744	0.6
191.10623	0.3
193.12265	4.5
195.13753	0.4
199.11191	0.6
203.14281	0.3
205.12273	1.3
211.13300	2.0
215.12691	0.3
221.74203	0.3
223.13303	11.1
227.12778	2.9
227.17921	0.6
229.14345	1.3
233.15480	0.5
245.13826	0.5
245.19031	1.0
247.16853	0.4
249.14928	1.5
253.14406	2.3
255.17493	0.7
263.20059	0.7
267.15927	3.6
268.16391	0.5
271.15338	1.3
271.90424	0.3
273.18500	6.6
275.07297	0.3
283.15451	1.8
284.15781	0.5
285.16977	10.2
285.20114	0.5
291.19550	48.4
292.19983	1.6
309.20483	0.4
347.22153	3.5
365.23239	100.0
366.23648	2.7
383.24292	1.0
389.18219	0.4
429.21228	1.2
435.23804	0.3
439.86499	0.3
459.27325	2.0
473.00513	0.3
475.26978	1.2
476.27234	1.3
477.27899	4.2
495.28528	0.4
509.27527	2.4
527.28448	4.1
545.28998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01876	5.5
55.05516	6.3
57.03440	6.1
57.07083	0.9
61.02929	4.7
65.03938	1.0
67.05507	24.2
69.03442	3.8
69.07074	7.2
71.04991	3.7
72.25574	0.6
73.02912	1.5
78.88419	0.5
79.05061	1.0
79.05495	15.6
81.03422	6.1
81.07062	26.2
83.04990	7.1
83.08626	3.7
85.02915	8.3
85.06541	3.0
86.09717	1.1
91.03956	3.8
91.05482	23.8
93.07044	18.2
95.04984	6.9
95.08610	9.0
97.02911	3.9
97.06536	3.4
97.10184	1.8
99.04458	2.9
103.05461	0.8
105.07037	20.5
107.04947	5.6
107.08595	18.4
109.02901	1.3
109.06512	4.4
109.10162	29.5
110.10503	0.9
111.04441	1.1
111.08084	2.3
113.05983	1.4
115.08569	0.6
117.07030	5.0
119.04936	0.5
119.08579	6.0
121.06528	3.9
121.10165	4.9
123.04477	1.0
123.08049	1.7
123.11723	5.5
125.09629	2.0
127.03910	2.2
127.07574	2.1
128.06192	0.8
129.05513	0.9
129.06990	2.3
131.08603	6.7
133.06520	3.9
133.10136	38.3
134.10510	0.8
135.08069	4.9
135.11702	2.7
137.05936	3.7
137.09607	1.5
139.11206	0.7
142.23160	0.5
143.08588	2.4
145.04996	1.2
145.06451	1.1
145.10178	3.3
147.04424	1.0
147.06917	0.5
147.08073	2.0
147.11700	2.3
149.09642	4.7
149.13205	0.5
151.07576	0.6
151.09956	1.1
151.11189	20.4
152.11528	0.5
157.10173	1.4
159.08025	1.2
159.11597	1.2
161.09599	4.0
161.13351	1.1
163.06044	2.0
163.07480	1.0
163.11252	1.6
165.09100	1.2
165.12801	0.6
166.08682	1.1
167.07112	0.8
169.12215	3.1
171.11693	2.2
173.09665	0.8
173.11790	1.0
173.13254	0.9
175.11235	2.0
177.05475	1.3
177.09126	2.2
179.10689	1.7
181.12239	0.8
184.07390	3.2
185.13310	0.6
189.12761	1.5
191.10745	0.8
193.08638	0.6
193.12270	1.1
193.70741	0.5
197.11877	0.8
199.11205	0.7
207.13896	0.9
209.11670	0.8
211.13274	1.0
215.12698	2.9
223.13365	1.0
227.17780	0.7
229.14355	2.0
229.44154	0.6
245.19019	1.8
251.12801	0.7
253.14360	68.0
254.14714	1.8
255.17462	0.9
263.20087	2.3
267.15872	1.1
267.65918	0.5
269.13773	1.7
271.15424	8.8
273.18515	8.5
285.17023	2.1
291.19559	9.5
309.20569	1.0
313.34338	0.6
347.22134	6.4
365.23242	100.0
366.23505	3.1
383.24487	2.6
415.19537	1.0
431.30994	0.7
459.27197	0.9
477.28497	1.2
503.80563	0.6
509.27499	1.3
527.28235	4.1
710.29596	0.7
725.33087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01876	2.3
55.05512	8.1
57.03442	14.2
57.07059	1.5
61.02922	2.2
67.05501	14.4
69.03129	1.0
69.03437	9.9
69.06718	2.2
69.07066	25.8
69.94843	7.4
71.01360	1.7
71.04992	59.5
73.02911	6.6
73.06568	3.3
75.04478	6.0
79.05494	9.7
81.03414	7.4
81.07057	19.2
83.00222	1.4
83.04971	11.3
83.08606	3.1
85.02903	100.0
86.03208	2.0
86.06084	1.7
86.09693	2.1
87.04460	4.4
90.96487	1.4
91.05490	10.5
93.07063	10.7
95.04964	5.0
95.08612	12.5
97.02905	7.2
97.06519	4.5
99.04449	4.0
103.03973	2.1
105.07030	12.4
107.04973	2.9
107.08596	12.1
109.02876	2.6
109.06519	6.9
109.10149	11.8
111.04451	5.7
111.08149	1.3
115.07584	4.5
117.05499	1.5
117.07018	4.2
119.08597	7.1
121.06526	2.1
121.10134	11.7
122.54947	1.4
123.11688	1.7
125.00008	2.1
125.09643	4.9
127.03902	8.5
129.05481	37.1
129.06995	3.2
131.08598	8.3
133.10130	11.6
135.11707	5.6
142.07790	3.2
142.87567	1.4
143.08559	7.2
145.04944	4.1
145.10129	11.6
147.06517	20.0
147.11671	14.4
149.09575	1.4
149.13297	2.6
151.11168	1.7
155.08565	1.8
157.10130	20.2
159.11702	9.5
161.13263	3.5
163.05984	2.2
163.11133	2.3
165.07344	1.5
167.10672	2.8
169.10118	2.3
171.11751	4.4
173.04506	1.5
173.13293	4.1
181.12198	1.4
183.11700	3.1
184.07379	12.1
185.13168	2.2
187.14824	1.7
197.13258	4.6
199.14819	1.8
209.11649	1.6
211.14847	2.8
225.16255	1.7
227.12776	2.8
251.18109	2.5
253.19525	55.6
254.19818	1.7
255.08539	1.9
255.21240	2.0
271.20547	21.7
273.09882	2.0
283.15454	2.3
283.24203	4.4
309.11911	1.7
335.25879	5.6
379.29858	4.4
397.31046	13.0
415.32077	13.1
433.25815	3.4
433.37781	1.6
489.35788	1.4
543.36682	5.7
561.37811	1.7
579.31494	9.9
723.43182	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	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03930	1.6
55.01878	5.5
55.05512	7.4
57.03440	6.7
57.07059	0.5
59.04965	0.6
61.02932	6.6
64.27235	0.4
65.03933	1.2
67.05505	31.0
69.03425	4.2
69.07069	8.6
71.01345	0.6
71.04977	3.7
71.58760	0.8
73.02926	2.4
76.21759	0.5
79.05493	15.7
80.05814	0.7
81.03416	6.6
81.07058	32.5
83.04979	7.6
83.08615	4.6
85.02443	0.6
85.02905	9.1
85.06523	3.2
86.09680	1.1
87.04428	0.6
91.03954	5.4
91.05482	27.2
92.05753	0.6
93.07043	19.6
94.07351	0.6
95.04453	0.6
95.04977	7.5
95.08059	0.6
95.08610	9.0
97.02904	4.8
97.06525	3.9
97.10159	1.0
99.04433	1.8
99.08091	0.8
103.03933	0.7
103.05449	0.5
105.07035	23.1
107.04957	6.0
107.08595	23.8
108.08920	0.7
109.02854	1.5
109.06514	4.6
109.10155	34.2
111.04432	0.9
111.08088	2.7
113.06013	1.6
115.05430	0.5
117.07021	4.1
119.08584	7.3
121.06506	4.2
121.10126	4.9
123.04432	0.8
123.08060	2.3
123.11712	5.5
124.99959	0.6
125.09570	1.5
127.03919	2.4
127.07539	1.5
128.06160	0.7
129.05496	1.1
129.06981	2.2
131.04913	0.9
131.08575	7.4
133.06503	4.7
133.10130	43.6
134.10455	0.8
135.08064	5.4
135.11705	3.9
137.05974	3.9
137.09567	2.1
143.08546	2.9
145.02908	0.7
145.04932	1.0
145.06453	0.8
145.10129	4.0
147.08061	2.5
147.11678	2.7
149.09618	5.3
149.13223	1.2
151.11182	21.6
152.11588	0.7
155.08435	0.9
157.10103	1.7
159.08023	1.8
159.11678	1.7
161.09621	5.2
161.13235	0.9
163.06065	1.2
163.07452	1.1
163.11140	1.4
165.09067	0.7
165.12675	0.6
166.08588	0.9
167.07043	0.6
167.08708	0.5
169.12210	3.6
171.11653	1.4
173.09557	0.8
173.11797	1.0
173.13242	0.9
175.11284	2.5
177.05447	1.5
177.09111	2.4
177.12717	0.7
179.10605	0.9
181.12074	0.8
184.07336	3.9
185.21373	0.5
187.11162	0.7
189.12656	0.6
191.10638	0.6
193.08563	0.5
193.12244	1.4
196.66344	0.5
197.11755	0.7
199.11078	0.5
209.11743	0.6
211.13283	0.5
215.10764	0.8
215.12781	2.1
223.13159	0.6
227.18021	0.8
229.14243	1.0
245.19005	2.1
248.75946	0.5
253.14349	73.1
254.14636	2.0
255.17537	0.8
263.19998	2.2
267.15958	1.4
269.13858	1.5
271.15390	8.5
273.18500	8.7
283.15347	1.2
285.16879	2.1
291.19528	9.0
295.49039	0.5
309.20581	0.9
315.10385	0.5
347.22202	6.3
357.15457	0.7
365.23230	100.0
366.23499	3.2
383.24402	2.8
415.19519	1.0
421.45450	0.5
459.27466	0.8
477.28348	0.9
491.26181	0.8
509.27734	0.8
515.54535	0.6
527.28351	5.0
558.62079	0.5
725.32806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01871	2.6
55.05508	7.9
57.03438	5.9
59.04982	1.2
61.02924	1.0
65.03930	0.5
65.43321	0.3
65.85075	0.4
67.05502	9.8
68.29461	0.4
69.03423	1.7
69.07063	2.7
69.81128	1.9
71.04994	2.1
79.05493	10.7
81.03418	28.6
81.06578	0.6
81.07054	9.5
83.01334	2.9
83.04985	4.9
83.08138	0.6
83.08614	8.8
85.02895	2.5
85.06541	0.8
91.03947	0.6
91.04902	0.4
91.05476	9.8
93.07043	9.5
95.04968	11.2
95.08608	4.7
97.02893	2.0
97.06525	2.2
97.10168	4.5
99.04460	0.9
99.08152	0.5
103.05441	0.6
105.07024	6.6
107.04958	6.1
107.08595	6.7
109.02862	0.9
109.06528	3.3
109.10148	2.9
111.04438	2.0
111.08079	3.2
113.06026	0.6
115.05408	0.5
116.02371	0.4
117.07027	3.9
119.04910	0.6
119.08579	7.2
119.09351	0.6
121.06519	2.7
121.10136	5.4
123.04439	1.1
123.08070	3.7
125.00024	0.4
125.06007	0.7
125.09618	3.5
129.06995	4.0
131.04921	1.0
131.08542	4.7
133.06497	1.6
133.10124	2.4
135.08055	1.7
135.11688	5.0
137.05960	1.2
137.09610	1.2
142.07779	0.6
143.08534	0.6
145.06485	1.3
145.10130	5.7
147.04373	0.9
147.08054	2.3
147.11688	2.5
149.09595	2.3
151.11263	0.5
153.09099	0.5
153.12720	1.8
155.08607	0.7
157.06503	0.7
157.10120	4.0
159.07965	0.6
159.11618	0.4
161.05981	1.7
161.09631	0.8
163.07469	0.5
163.11166	7.8
165.12729	0.5
169.10211	0.5
171.04312	0.4
171.08069	0.6
173.06064	0.6
173.09628	1.6
175.07544	0.5
175.11189	3.0
179.10905	0.4
181.10123	0.5
181.12230	1.6
183.11633	0.6
184.07355	1.3
185.09636	0.7
187.11192	0.4
189.09190	0.8
189.11234	2.0
191.10612	1.8
193.12233	6.9
195.11700	0.5
197.09494	0.5
203.14221	0.5
205.12280	1.0
209.11664	2.1
211.11188	0.9
211.13239	0.9
213.12788	0.7
227.12744	2.0
231.13774	0.9
243.13760	1.1
249.14862	1.2
255.11533	0.4
265.14297	0.6
267.15915	21.1
271.13318	0.9
273.14899	1.7
283.15390	15.9
285.17148	0.4
287.16711	0.4
289.14377	2.5
303.15750	0.6
337.21637	0.6
347.20026	0.4
348.69476	0.4
355.22647	1.7
365.21005	2.8
383.22165	12.7
396.60605	0.5
401.23282	6.0
407.24060	0.5
419.24496	1.7
431.24203	0.8
439.24924	1.8
451.16254	0.4
457.25879	22.6
458.26215	1.0
475.26917	100.0
476.27158	2.5
485.17346	0.4
493.27954	9.5
507.29633	1.5
517.28162	1.1
525.30731	1.0
541.27179	0.5
543.28778	0.4
583.28949	0.6
601.29419	0.6
710.98254	0.5
722.41266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01873	3.1
55.05508	6.3
57.03439	7.3
61.02919	1.5
67.05508	13.1
69.03417	2.4
69.07068	3.6
69.33040	7.1
71.04980	1.7
73.02894	1.0
77.20596	0.6
79.05489	14.1
80.36288	0.6
81.03419	37.9
81.07058	13.1
82.03698	0.6
83.01347	0.8
83.04984	4.4
83.08622	13.0
85.02910	2.7
85.06535	1.3
86.09689	1.1
87.04417	0.6
87.36871	0.6
91.03940	0.9
91.05473	14.5
93.07043	17.9
95.04971	14.6
95.08604	17.3
95.09126	0.4
97.02898	4.1
97.06521	3.8
97.10165	2.7
99.04444	2.5
103.05446	1.0
105.07031	9.8
107.04962	7.1
107.08605	14.5
109.02832	0.7
109.06491	3.6
109.10133	3.0
111.04438	2.8
111.08069	4.1
115.05460	1.1
117.07018	6.3
119.04948	0.8
119.08570	11.2
120.08169	0.8
121.06512	4.1
121.10150	8.6
122.06048	0.7
123.08065	1.9
123.11689	0.9
125.06003	1.5
125.09602	1.4
127.03893	1.2
129.06992	4.8
130.07820	1.2
131.04932	1.2
131.08574	5.3
133.06485	2.1
133.10135	5.3
135.08073	1.1
135.11694	22.0
135.12721	1.4
137.05986	3.0
137.09647	1.4
138.09183	0.9
139.07547	0.9
142.07823	0.7
143.08510	1.2
145.06485	1.0
145.10124	14.3
147.04350	0.7
147.08040	1.9
147.11688	4.6
149.09659	3.3
151.11151	1.2
153.12749	1.1
155.08412	1.1
157.10155	5.4
159.11736	1.2
161.09668	0.9
163.11183	35.0
165.09125	1.1
167.07025	1.0
169.10210	0.9
173.09618	2.0
175.11191	4.7
177.05478	1.1
177.40228	0.7
181.12192	6.3
184.07362	1.6
185.09621	0.7
191.10664	0.8
193.12244	11.0
209.11774	2.4
211.13309	2.5
227.12796	30.3
228.13109	0.8
231.13673	0.8
249.14839	1.4
255.22340	0.8
265.14331	1.5
267.15918	74.1
268.16324	2.4
283.15396	49.8
284.15768	2.2
285.17120	0.7
301.16510	1.7
306.55618	0.6
317.15976	1.3
363.21606	1.3
365.21048	0.9
365.26755	0.8
383.22162	2.8
401.23270	2.2
457.25931	5.7
475.26935	100.0
476.27466	7.2
493.28015	6.5
507.29507	2.0
517.27814	1.0
525.27435	2.1
525.30664	1.9
722.41125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	3.5
53.03953	5.8
55.01879	10.8
55.05510	15.7
57.03445	9.0
59.04998	2.4
61.02929	3.6
65.03605	1.5
65.03937	2.6
67.05225	1.7
67.05509	45.5
69.03436	5.3
69.07077	9.5
70.10092	8.6
71.01364	2.6
71.04994	5.9
73.02921	3.6
76.24552	1.5
77.03948	1.6
79.05492	35.9
81.03420	20.6
81.07063	40.2
81.07523	3.2
83.04990	16.2
83.08619	11.5
84.04535	1.5
85.02903	10.0
85.06566	4.8
86.09702	2.8
91.03969	2.0
91.05489	36.9
93.03391	1.8
93.07054	41.9
95.01352	3.1
95.04964	17.7
95.08613	15.5
97.02888	9.8
97.06539	16.6
97.10189	2.1
99.00826	9.2
99.04444	4.7
99.08102	1.8
101.02396	1.7
103.05487	2.8
105.07034	20.7
107.04964	39.1
107.08594	22.5
109.02879	10.4
109.06550	6.6
109.10149	10.6
111.04439	22.4
111.08083	7.7
115.03947	2.7
117.07032	13.4
119.04945	1.7
119.08584	22.7
121.06527	11.1
121.10149	33.8
123.04456	5.1
123.08073	3.5
123.11712	4.1
125.00026	2.5
125.06010	3.2
125.09651	4.6
127.03930	6.2
128.06232	2.2
129.05475	1.8
129.07040	5.8
130.07829	1.9
131.04912	6.4
131.08560	10.4
133.10136	29.6
135.08070	3.8
135.11696	28.5
136.56804	2.0
137.05998	5.6
137.09657	2.0
139.03966	1.8
139.07529	2.6
143.08568	5.1
145.02878	2.9
145.06482	9.5
145.10136	35.2
147.04346	1.8
147.08058	5.7
147.11754	3.3
149.09634	7.9
151.11197	7.5
153.12773	10.2
155.08539	9.2
157.10181	2.5
159.08096	2.9
161.09628	16.3
163.04048	2.2
163.11197	41.9
164.07091	2.0
171.08061	2.8
173.09641	27.6
177.05492	6.0
179.10674	6.7
181.12244	15.8
184.07318	3.9
189.09135	7.1
189.11295	1.7
191.10677	21.6
191.14407	1.8
193.12268	3.6
197.11771	2.4
207.10237	2.9
209.11708	8.8
225.11266	6.9
227.12784	14.0
243.12381	2.4
265.14368	100.0
267.15915	4.2
275.07343	1.9
281.13800	4.2
283.15402	62.4
284.16080	1.6
287.16394	1.8
299.14890	40.3
301.16495	47.8
303.23178	5.8
320.20908	1.6
321.24292	6.3
363.21674	6.0
396.88513	2.2
444.31897	2.2
475.26810	8.5
489.25195	7.8
493.28027	2.7
507.25912	68.8
525.27002	93.7
527.02075	2.0
665.65576	1.8
722.36511	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05513	1.2
56.39101	0.3
57.03429	0.4
61.02905	0.4
61.98239	0.3
65.03940	0.5
66.84187	0.3
66.96069	0.3
67.05490	1.3
69.03436	0.8
69.07067	0.5
71.05001	0.5
71.55615	0.3
72.11926	0.3
75.90958	0.2
79.05503	1.1
81.03410	2.8
81.07069	1.3
83.01104	1.0
83.08625	0.7
85.02907	0.9
85.06554	0.3
86.09698	0.4
91.05489	3.5
93.07052	1.3
95.04980	0.7
95.08611	0.6
96.09013	0.3
97.02902	1.1
97.06549	0.9
99.00807	0.8
99.04468	1.2
100.28435	0.3
105.07037	1.2
106.07413	0.3
107.04981	0.5
107.08612	1.0
109.02876	3.2
109.06496	0.4
109.10152	0.6
111.08132	0.3
117.07077	0.3
119.04945	4.3
119.08603	0.8
121.06508	0.6
121.10159	0.4
122.06054	0.4
123.08066	0.4
123.11775	0.3
125.09676	0.3
127.03918	3.2
130.60551	0.3
131.08563	0.4
133.10138	1.9
134.10521	0.5
137.05998	0.7
145.05002	0.4
145.10071	0.3
147.04413	16.4
148.04747	0.4
149.02176	0.3
151.03952	0.4
151.11156	0.4
153.01701	0.4
161.09659	1.2
162.10083	0.3
163.03961	0.4
165.09201	0.4
166.08713	0.3
169.02621	4.8
169.04901	2.0
171.08031	0.3
177.05592	0.8
179.10695	0.7
184.07439	0.5
187.03705	0.7
187.07574	0.3
189.09171	0.5
193.54010	0.3
204.10463	0.3
209.04207	14.5
213.33450	0.3
225.11256	0.4
227.05362	0.5
229.04805	0.6
251.05341	1.0
269.06393	1.3
273.13617	0.4
281.14001	0.3
282.41516	0.3
287.07327	2.0
299.14874	5.1
300.15302	2.3
301.06909	0.7
311.07831	0.3
329.08542	0.8
415.09964	2.8
433.11047	9.9
434.11432	0.4
510.06348	0.3
523.25043	1.6
524.25507	1.6
600.22986	0.4
661.17242	0.8
721.19452	100.0
722.19818	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	721.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
53.65176	0.2
53.93122	0.2
55.01878	0.3
55.05511	0.3
57.03418	0.2
65.03953	0.3
67.05521	0.4
69.03426	0.3
69.07082	0.3
70.95712	0.2
70.96061	0.5
79.05510	0.3
81.03426	2.4
81.06608	0.2
81.07066	0.5
83.01118	0.6
83.05011	0.2
83.08649	0.2
83.88632	0.2
85.02911	0.6
86.55376	0.2
91.05489	2.5
93.07059	0.4
95.05005	0.4
95.08591	0.2
97.02898	0.7
97.10134	0.2
99.04429	0.9
105.07053	0.3
107.04967	0.4
107.08611	0.3
109.02884	2.3
115.37981	0.2
119.04945	4.8
119.08590	0.2
121.06538	0.2
127.03925	2.8
129.07016	0.3
131.08504	0.2
137.05997	0.3
145.04968	0.4
147.04419	19.4
148.04826	0.6
149.02115	0.5
153.01665	0.4
169.02629	4.9
169.04910	2.9
170.03073	0.2
177.05524	0.4
187.03712	0.4
191.03246	0.3
209.04221	13.2
210.04674	0.3
215.10841	0.2
227.05292	0.3
229.04716	1.5
241.41452	0.2
251.05510	1.0
251.07654	0.2
267.09204	0.2
267.15921	0.4
269.06403	1.0
285.10147	0.5
287.07446	1.0
292.81955	0.2
301.06903	0.4
311.07474	0.2
329.08398	1.1
355.08038	0.3
372.14594	0.4
373.08926	0.5
415.09995	3.7
427.38937	0.2
433.11118	8.7
434.11594	0.2
477.28842	0.3
541.34894	0.2
661.17548	1.3
721.19501	100.0
722.19916	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	721.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71092	0.2
53.03936	0.6
55.05494	0.5
62.25483	0.3
65.03927	0.3
67.05504	0.6
69.03424	0.3
69.07068	0.5
69.45686	1.3
69.46107	0.9
70.55315	0.2
73.02909	0.3
79.05513	0.4
81.03413	2.4
81.07061	0.9
83.01093	0.6
83.04962	0.3
83.08651	0.4
83.57633	0.2
85.02907	0.5
89.42067	0.2
91.05488	2.8
93.07043	0.4
95.04969	0.5
95.08602	0.6
97.02904	0.8
97.10167	0.4
98.20751	0.4
99.04459	1.2
105.07036	0.6
107.08575	0.3
109.02882	3.1
109.10176	0.3
119.04954	4.5
119.08584	0.3
121.06475	0.3
121.10112	0.3
126.03601	0.2
127.03922	2.5
135.11749	0.3
137.05994	0.3
147.04413	19.6
148.04736	0.6
148.07600	0.3
149.09702	0.3
169.02620	5.1
169.04910	2.3
171.08075	0.3
184.07321	0.3
209.04214	12.8
210.04820	0.3
229.04805	1.1
236.10777	0.4
251.05376	1.1
268.16202	0.3
269.06454	1.0
287.07458	1.1
301.06708	0.4
315.08691	0.3
319.06088	1.0
329.08426	0.5
355.08185	0.4
369.58667	0.3
372.14664	1.0
372.64603	0.5
373.08948	0.5
415.10092	3.3
433.11044	9.0
434.11395	0.4
459.27884	0.4
478.29172	0.4
661.17310	1.1
721.19482	100.0
722.19855	4.2
753.20978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4445
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
56.05021	0.6
58.06604	0.4
60.07886	0.4
60.08164	5.8
67.05499	0.3
69.49632	1.4
71.07375	2.4
79.05499	0.2
81.07037	0.3
86.09704	28.2
98.98439	2.1
104.10743	2.0
106.37823	0.2
125.00004	19.0
133.10078	0.2
143.00967	0.2
166.02696	0.4
166.51202	0.2
184.07336	100.0
426.83829	0.2
473.22156	0.2
720.44446	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	720.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05509	6.5
60.04517	0.4
61.02951	0.3
67.05493	0.5
69.03426	0.8
69.07066	0.7
70.06585	1.1
71.04969	0.6
73.02882	0.3
79.05485	0.4
81.03413	1.0
81.07061	0.6
82.06571	1.8
83.04973	0.8
83.08134	0.5
83.08614	7.3
84.08156	0.7
85.02893	1.4
85.06535	0.6
86.09695	0.5
86.59692	0.3
91.05469	0.8
94.06584	0.3
95.04974	0.5
95.08601	0.3
96.08106	0.4
97.02876	0.5
97.06525	1.9
98.09686	1.1
100.07620	2.8
100.11253	45.9
101.11574	0.5
104.10751	0.3
105.07059	0.6
107.04945	0.6
109.02869	0.8
109.06525	0.3
109.10139	0.4
110.06041	1.4
111.04439	3.7
112.07620	1.1
112.11236	0.3
117.06976	0.3
117.13904	1.0
119.04953	0.3
119.08593	0.4
121.06432	0.3
122.05995	0.3
123.04437	0.3
126.09149	0.6
127.03922	0.8
127.08665	1.4
128.07092	3.4
129.05464	0.5
129.07010	0.3
131.04991	0.6
131.08551	0.4
135.04460	0.6
137.05960	2.1
138.06322	0.4
139.08664	3.0
140.07066	1.6
145.02881	0.3
145.04965	0.3
145.10135	0.3
147.04422	0.5
147.11691	0.6
149.13260	0.4
151.03860	0.4
152.07083	0.3
154.06024	0.3
154.89613	0.3
159.11746	0.3
161.06039	0.7
163.07509	0.5
164.06958	0.4
164.14359	0.5
166.15997	0.5
167.07050	0.4
171.44421	0.2
177.05460	0.4
180.07747	0.4
182.15402	16.0
183.15729	0.4
184.07399	0.4
192.13837	0.9
193.12189	0.4
209.16489	20.1
210.14885	20.8
211.15250	0.5
226.19127	7.7
227.17538	1.5
228.15907	1.8
229.60719	0.3
233.11775	0.8
243.06183	0.3
246.14900	0.7
250.14391	0.4
285.16962	0.4
299.05460	0.4
303.05017	0.9
305.64240	0.3
308.27014	0.6
326.28006	3.9
333.15341	0.5
335.24509	0.8
336.22787	4.7
337.07019	0.3
343.30618	0.4
363.94058	0.3
377.01736	0.3
417.32419	0.6
435.33286	9.5
435.39215	0.5
436.33545	0.4
442.65924	0.3
453.34351	100.0
454.34494	3.2
455.34964	0.6
544.62592	0.3
558.25977	0.7
702.30438	0.4
720.29016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03943	5.0
53.04165	1.1
55.01863	4.6
55.05263	1.7
55.05513	21.6
57.03433	8.1
57.07069	4.7
60.78830	1.1
61.02916	7.5
65.03936	3.7
67.05504	59.5
69.03426	6.8
69.07066	18.7
71.04979	4.3
71.08617	1.2
71.58411	1.7
73.02918	2.7
79.05492	70.7
81.03418	12.8
81.07056	59.3
83.04983	10.8
83.08610	9.1
85.02902	6.6
85.06539	4.7
86.09698	2.7
91.03947	2.9
91.05480	66.2
93.07046	72.4
95.04971	22.5
95.08604	36.2
97.02898	5.4
97.06532	6.6
97.10162	4.8
99.04459	2.5
99.08086	2.2
103.05480	1.2
105.04498	2.9
105.07034	67.8
107.04953	8.0
107.08593	29.8
109.05889	1.1
109.06534	7.9
109.10159	11.7
111.08092	3.2
115.05448	3.1
117.07021	22.3
119.08581	49.3
121.06486	4.2
121.10146	16.9
123.08102	5.7
123.11681	3.1
125.00002	2.4
125.09619	1.8
127.03910	2.2
128.06223	4.2
129.06998	20.2
130.07750	1.9
131.08574	26.8
133.06511	1.9
133.10135	34.6
135.08095	2.1
135.11705	12.6
137.09607	3.3
141.06972	4.1
142.07773	3.0
143.08565	19.3
145.06468	1.6
145.10118	26.8
147.08028	3.9
147.11690	47.2
149.09613	2.1
149.13274	6.9
151.11107	2.2
153.07079	1.4
155.08559	9.6
155.99136	1.0
156.09341	1.5
157.10135	13.6
159.08257	1.4
159.11682	19.1
161.09633	3.5
161.13255	24.0
163.11143	2.1
163.14806	1.9
165.06972	1.4
165.12660	1.4
166.07776	1.3
167.08585	3.4
169.10123	10.7
171.11694	29.6
172.12100	1.4
173.04427	1.4
173.13289	12.4
175.14822	9.0
175.17178	1.2
177.12741	3.4
179.08560	1.5
181.10150	7.7
183.11746	9.4
184.07329	8.3
185.09543	1.4
185.13277	11.5
187.11133	2.7
187.14859	3.8
189.12758	7.7
193.10104	1.8
195.11633	6.5
197.13249	10.1
199.14844	9.3
207.11731	2.9
207.13820	13.0
209.13232	5.6
210.69737	1.2
211.14842	3.7
213.16383	4.8
221.13243	2.9
223.14825	5.1
225.16614	1.7
231.17403	2.2
231.21146	4.5
235.14850	2.8
237.16376	3.2
239.18042	1.4
241.14258	2.3
241.19514	21.7
243.20969	1.3
249.16368	1.7
257.18954	3.9
259.20599	37.7
259.23370	2.4
261.22073	2.0
265.19559	1.8
273.18643	1.4
279.15933	11.3
281.17459	44.1
295.20508	1.3
297.16791	1.4
297.22131	1.9
299.23569	1.7
311.23505	1.5
315.23212	3.7
321.22028	1.6
323.23651	2.0
325.21640	2.2
333.24265	28.8
339.23148	1.6
341.24826	1.9
353.24600	1.5
419.33328	1.9
429.31375	3.2
437.33966	6.2
447.32727	12.7
465.33737	11.9
483.34729	6.6
499.34033	1.3
501.35742	2.9
521.36255	5.4
528.37830	1.7
529.38861	6.5
539.37329	100.0
540.37488	7.0
557.38391	52.8
558.39111	2.7
624.05347	1.3
628.70209	1.3
665.39545	1.2
683.41663	1.8
701.42560	9.7
719.44171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13146	2.4
52.17801	1.9
53.03937	3.8
55.01883	3.4
55.05514	21.9
57.03428	8.4
57.07059	3.3
61.02916	6.1
64.31007	2.2
65.03910	2.9
67.05175	4.1
67.05509	58.6
69.03416	6.9
69.07069	20.2
71.04985	3.8
73.02908	5.2
73.57113	2.0
79.05064	3.8
79.05492	58.4
81.03403	11.9
81.06589	2.6
81.07056	45.2
83.04972	7.0
83.08621	11.5
84.81273	1.9
85.02901	5.3
86.09698	5.2
87.61954	2.1
88.45435	2.4
91.03888	2.6
91.05483	60.7
93.07042	66.9
95.04981	19.1
95.08051	3.1
95.08610	36.1
97.02856	4.8
97.06537	5.3
97.10178	2.8
99.08106	4.1
102.94059	1.9
105.07030	56.8
107.04938	6.6
107.08590	23.2
109.06480	5.7
109.10149	11.8
111.08027	4.3
117.06999	19.5
119.08583	44.9
121.06538	2.3
121.10166	16.0
123.08061	4.9
128.06216	3.4
129.07022	19.7
131.08574	23.8
133.10143	27.4
135.11717	15.4
141.07008	2.3
142.07767	3.8
143.08591	21.7
145.10141	24.0
147.11694	39.8
149.13216	5.0
153.24075	2.4
155.08565	10.5
157.10130	15.1
159.08121	2.1
159.11760	14.6
161.09563	4.3
161.13251	18.1
163.11177	4.5
167.08578	3.3
169.10124	13.4
171.11690	31.3
173.13287	11.6
175.14815	10.2
177.12781	3.0
181.10167	6.1
183.11681	9.2
184.07378	10.1
185.13303	11.7
187.11189	2.7
187.14832	4.4
189.12700	7.3
195.11591	5.7
197.13203	10.8
199.14978	4.9
207.12141	2.2
207.13770	12.1
207.43585	2.4
209.13260	6.0
211.14795	5.6
213.16330	3.1
231.21045	4.0
235.14801	3.7
237.16406	3.9
239.17889	2.6
241.19539	13.5
249.16382	3.0
257.19019	3.4
259.20563	31.9
279.15939	7.0
281.17465	35.9
315.23294	4.8
333.24307	27.0
339.22827	2.8
394.18423	2.3
437.34009	4.4
447.32495	15.0
465.33865	14.0
483.34592	8.9
521.36279	4.7
529.38568	5.9
539.37317	100.0
540.37506	6.8
557.38379	45.5
558.38397	3.9
581.38104	3.1
701.42401	10.0
711.43408	2.6
719.43835	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	718.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76240	1.3
55.01860	2.6
55.05508	10.7
57.03437	8.8
57.06828	2.1
57.07079	27.3
61.02905	2.9
67.05512	12.8
69.07069	10.4
71.04984	2.0
71.08633	21.7
71.58389	2.0
73.02884	1.4
79.05490	14.9
81.07062	20.3
83.04977	3.2
83.08614	13.1
85.02895	2.1
85.10172	12.5
89.06030	3.0
91.05476	5.5
93.06466	1.8
93.07042	25.0
95.04958	5.3
95.08607	40.1
97.02895	3.4
97.06545	2.2
97.10165	4.2
99.04449	3.6
103.07617	1.4
105.07026	5.1
107.04979	6.9
107.08591	21.9
109.06572	1.9
109.10158	8.4
113.56902	1.1
117.07016	8.2
119.08575	7.0
121.06503	3.9
121.10151	12.0
123.11674	1.6
125.05980	1.8
128.43204	1.3
133.10098	2.4
135.08092	2.5
135.11691	39.5
136.12038	1.5
139.07536	1.7
145.10112	25.7
153.12843	1.7
163.11183	59.8
164.11572	1.6
181.12265	8.8
184.07301	3.6
205.18454	1.1
227.12785	57.8
239.23705	1.5
257.24747	1.6
270.19302	1.2
272.63528	1.2
283.15390	87.8
284.15723	1.6
313.27362	97.8
314.27686	3.1
482.07816	1.4
513.14624	1.4
521.38403	100.0
522.38562	6.8
560.53668	1.3
622.27722	5.1
679.77020	1.4
693.21075	1.3
718.46960	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	718.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01863	4.1
55.05510	19.7
57.03441	10.9
57.07058	2.0
59.04993	4.7
61.02917	3.5
61.97525	1.4
65.03949	1.9
67.05505	100.0
69.03416	6.2
69.07069	16.0
71.04995	5.6
71.58755	1.8
73.02892	2.4
79.05051	2.6
79.05492	28.1
81.03407	7.5
81.07055	49.1
83.04980	5.2
83.08624	17.3
85.02907	6.4
85.06532	2.4
86.09711	1.9
91.05484	29.0
93.07050	30.2
94.07357	2.0
95.04986	7.6
95.08610	20.3
97.02883	3.9
97.06519	5.7
97.10175	11.6
99.04468	1.5
99.08103	2.8
105.07021	22.0
107.04972	4.6
107.08597	22.8
107.73150	1.6
109.02914	1.9
109.06500	4.7
109.10159	75.2
111.04452	1.9
111.08080	6.2
114.68496	1.7
117.07044	9.1
117.07729	1.9
119.08576	18.8
121.06516	1.8
121.10145	10.0
123.08102	1.9
125.09651	8.6
127.03909	1.9
127.73545	1.5
129.07014	3.8
131.08546	9.6
133.10147	13.8
135.08102	3.4
135.11667	9.2
137.09573	4.9
143.08530	3.3
145.10115	7.9
147.11678	10.7
149.02373	9.5
149.09622	6.1
149.13289	7.4
155.10638	2.9
156.18707	1.5
157.10118	3.2
159.11739	9.0
161.09633	1.8
161.13277	4.3
163.11163	3.3
171.11656	3.3
173.09541	1.5
173.11786	18.4
173.13187	3.4
177.12717	2.1
178.93892	1.8
184.07364	5.9
189.11224	4.5
193.04941	14.0
195.13797	3.4
227.12843	6.8
229.14360	63.0
237.07616	3.6
239.18001	1.8
241.19621	3.7
245.13788	8.2
255.15962	3.3
257.18982	4.3
259.20554	8.6
269.17487	15.0
275.20029	15.3
293.20996	1.5
333.24442	6.9
341.06757	3.6
349.23727	12.0
367.24707	1.7
385.09167	6.0
409.25827	15.9
423.27448	70.2
424.27664	2.4
429.11844	17.5
442.33160	1.5
503.33673	20.0
521.34833	13.7
567.31476	2.9
597.09399	1.5
718.37683	6.4
718.48340	2.8
719.37482	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	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01871	3.7
55.05517	15.7
57.03188	1.1
57.03445	12.0
57.07082	2.0
59.05001	2.9
61.02926	3.9
64.98814	0.9
65.03941	3.4
67.05509	100.0
68.05859	1.3
69.03437	5.9
69.06716	1.6
69.07073	16.8
69.30549	9.0
69.30959	1.7
71.05004	5.9
73.02912	2.1
79.05495	20.3
79.37472	0.9
81.03428	8.6
81.07065	39.4
83.04549	1.3
83.04971	4.8
83.08633	14.2
85.02888	5.8
85.06557	4.0
91.03957	1.0
91.05490	22.5
93.07053	26.7
93.33184	1.1
95.04972	7.1
95.08607	18.3
97.02903	4.6
97.06519	8.0
97.07036	1.0
97.10180	7.0
98.21452	2.1
99.08121	2.1
105.07034	17.8
107.04984	6.4
107.08601	18.3
107.09290	1.6
109.02876	1.6
109.06546	3.9
109.10164	76.3
111.04471	1.3
111.08091	5.7
113.05983	1.1
117.07007	7.2
119.08596	15.2
121.06551	2.2
121.10136	7.4
123.08091	2.0
123.11745	2.0
125.09621	7.1
127.03913	1.8
129.05475	1.2
129.07008	3.8
131.08565	10.2
133.10136	11.1
135.08025	3.2
135.11719	7.3
136.31487	0.9
136.76990	0.9
137.09586	5.1
143.08537	2.1
145.06512	1.7
145.10132	8.6
147.11688	6.7
149.09616	6.3
149.13205	5.1
155.10687	2.7
157.10172	2.5
159.11700	5.0
161.13309	3.5
163.11143	4.7
169.10175	1.1
171.11768	2.2
173.04500	1.7
173.11768	24.5
173.13266	3.5
175.11241	1.2
177.12743	2.0
179.14395	2.3
183.11722	1.8
184.07355	3.2
186.57820	1.0
189.11253	3.6
189.12788	1.0
195.13843	2.0
197.13261	1.6
211.13301	1.2
227.12781	17.8
229.14368	69.6
230.14618	1.2
239.17975	2.3
247.20717	1.0
255.15950	3.8
257.19043	6.4
259.20691	1.0
268.68848	1.1
269.17447	11.1
275.20084	25.3
293.20966	2.4
296.43982	1.0
325.20053	2.1
331.22684	1.9
349.23746	22.3
367.24820	2.7
383.24472	2.8
388.08960	1.0
399.24036	5.9
407.27969	1.6
409.25845	14.0
419.15738	1.0
423.27466	62.5
424.27750	1.9
463.30426	1.3
485.32263	2.4
503.33716	44.4
504.34833	1.7
521.34814	10.1
543.28778	1.1
557.34497	1.4
567.31702	2.2
656.44104	1.1
700.47705	1.4
718.46051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89202	0.5
53.03940	1.6
55.01876	3.0
55.05512	0.6
57.03419	1.7
61.02918	2.4
65.03936	1.6
67.05499	1.3
69.03429	8.5
69.07059	1.9
70.06583	1.2
70.69616	1.3
70.69976	1.1
71.04992	1.9
72.08122	0.7
73.02927	0.8
76.41492	0.6
78.04748	0.9
79.05495	4.3
81.03424	3.1
81.07050	1.1
85.02908	17.3
86.09704	0.7
91.05485	14.5
93.07036	2.2
94.04177	2.4
95.04971	2.5
97.02897	6.3
97.06533	9.4
99.04463	2.3
103.05474	11.8
105.03400	1.2
105.07034	8.8
107.04961	12.0
107.08612	0.9
109.02866	3.3
109.06524	1.2
111.04446	0.7
115.05456	5.1
116.06282	0.9
117.07010	6.0
119.04954	9.5
119.08604	2.3
121.06501	8.5
121.10143	1.0
122.03683	4.4
123.04442	14.4
123.08088	0.8
124.05249	1.6
125.05984	0.9
126.29941	0.6
127.03896	3.6
128.06201	1.6
129.07022	5.3
130.05022	0.7
131.04933	32.2
131.08560	0.8
132.02075	1.0
132.05696	0.6
133.02872	5.3
133.06503	13.5
134.03622	0.8
135.04428	13.3
136.05180	2.6
137.05983	100.0
138.06461	1.4
141.06984	1.4
143.04910	2.7
144.05626	0.7
145.05128	0.9
145.06497	10.5
145.10158	0.6
145.60017	0.5
146.03607	0.6
147.04417	10.5
147.08051	3.6
147.09970	0.6
148.05266	1.2
149.02333	2.0
149.06001	7.7
150.06734	1.3
151.03931	1.8
151.07544	7.1
152.04701	0.6
152.07140	3.0
152.08113	0.5
153.05486	2.1
153.07027	1.7
155.07196	0.9
155.08582	2.1
157.06497	5.7
159.08022	1.6
160.05269	0.9
161.05992	37.6
162.06656	1.1
163.03973	3.0
163.07550	31.2
164.04773	4.0
164.07045	5.3
165.05508	12.4
165.06931	1.7
165.09111	15.4
166.06262	1.3
166.08807	0.6
167.07054	55.0
167.08371	1.9
168.07860	3.2
169.06450	0.9
170.07271	0.8
171.08080	2.7
173.05978	4.4
174.06766	2.2
175.07568	5.6
177.05492	3.9
177.09111	10.1
178.08688	1.7
179.07047	31.4
179.08470	1.2
180.07813	30.6
181.04971	2.2
181.06526	1.6
181.08572	12.7
181.10153	0.7
183.07988	4.4
185.05952	1.0
185.09563	1.0
185.13422	0.6
187.07524	5.1
187.11285	0.8
189.05513	1.2
189.09109	12.6
191.07033	6.5
191.08620	1.5
191.10640	0.8
192.08356	0.5
193.08615	42.4
194.07298	1.7
195.06496	0.9
195.08064	4.3
195.09698	0.7
197.06078	1.3
197.08086	0.8
199.07565	3.2
200.08408	0.7
201.09167	1.1
203.07047	2.0
203.10727	0.8
205.06506	2.1
205.08626	6.5
205.12248	0.7
206.09383	2.1
207.06496	3.5
207.08223	1.4
207.10162	11.7
208.08914	0.9
209.06274	0.8
209.08049	2.5
209.09795	3.0
210.06775	0.8
211.07532	1.5
212.08342	1.5
213.09148	2.1
215.10692	14.4
217.08711	2.8
217.12315	0.9
219.08101	1.5
219.10231	2.0
221.05942	0.9
222.06801	1.7
223.07620	4.1
223.09557	1.0
227.10649	3.5
229.08595	1.6
231.10146	5.9
233.05966	1.7
233.08139	0.8
233.11743	17.1
235.09682	1.5
236.08261	1.1
237.02806	1.0
237.09128	8.4
239.07114	2.1
240.07805	0.8
241.08635	0.9
243.06551	0.8
245.11830	0.7
249.11316	1.0
250.06279	0.9
250.12083	1.0
250.14381	5.7
251.07066	2.2
251.12732	1.5
253.08524	0.9
253.10887	1.1
254.09398	1.2
255.10182	4.0
257.08191	0.8
258.08890	0.8
259.13333	1.8
263.07169	0.6
264.15979	5.2
265.08582	6.3
265.14490	1.3
267.12491	0.9
269.08102	0.9
269.11725	1.1
272.10675	1.0
273.11493	1.0
282.08884	3.5
283.09720	5.7
287.05368	0.6
287.12683	1.3
297.11218	4.6
300.09775	1.0
301.10678	1.3
307.13779	0.7
309.11124	0.6
313.10880	1.2
315.12274	29.7
316.13010	0.8
325.10736	0.9
330.13242	0.6
332.14926	88.7
333.15189	2.0
337.14304	1.4
341.14090	0.7
367.15448	4.1
368.16003	0.9
369.16965	23.4
370.17212	1.1
371.18909	0.8
374.15817	1.1
385.16589	4.6
386.17249	1.4
387.18039	5.9
402.19244	4.5
403.17743	1.1
404.18338	5.3
427.15454	1.7
458.17987	1.5
476.19058	1.4
477.18726	0.8
494.20108	1.7
503.20715	1.7
520.23016	1.6
521.21277	2.0
538.24377	6.1
539.22754	4.9
556.25494	61.8
557.25330	2.0
598.25897	1.3
664.27570	1.1
682.28241	3.3
700.29565	5.2
718.30872	16.8
719.29681	0.8
727.66962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.1
51.02374	0.1
53.00277	0.1
53.03939	0.8
55.01873	0.1
57.03440	0.1
60.62941	0.1
61.02920	0.2
65.03922	0.4
67.01868	0.4
67.05499	0.1
68.99777	0.2
69.03426	0.4
69.07063	0.1
71.04993	0.7
72.08150	0.1
79.05499	0.1
81.03415	11.5
81.07054	0.1
82.03759	0.1
83.04967	0.0
85.02901	2.1
88.47964	0.1
91.05476	4.4
92.05801	0.1
93.07041	0.1
95.04978	0.1
95.08595	0.1
97.02888	4.9
97.49069	0.1
98.03178	0.1
99.04451	4.7
101.02380	0.1
103.03953	0.2
105.07041	0.1
107.08565	0.1
109.02876	41.2
109.10144	0.1
110.03178	0.4
110.09703	0.1
111.04482	0.1
111.30437	0.1
115.03949	0.1
119.04940	15.2
120.05253	0.3
121.10176	0.1
123.04462	0.1
127.03911	24.4
128.04257	0.2
128.06194	0.1
129.06934	0.1
137.05977	0.2
139.03902	1.6
141.05504	0.1
145.02919	0.1
145.04967	0.4
145.06424	0.1
146.03535	0.1
147.04402	100.0
148.04735	1.6
151.03938	0.1
153.01797	0.1
157.06496	0.2
168.06622	0.1
169.04955	20.1
170.05247	0.4
176.04495	0.1
177.05478	0.2
184.07169	0.1
185.05969	0.1
187.06046	0.6
187.07559	0.1
191.03606	0.1
199.07651	0.1
201.05283	0.1
211.05956	0.7
227.06979	0.1
229.07065	4.6
229.51534	0.1
247.08226	0.1
255.06517	1.5
271.08182	0.4
273.07574	5.5
274.07944	0.1
289.09177	2.5
315.08609	14.5
316.08807	0.3
339.53711	0.1
387.67563	0.1
393.11768	5.7
394.12170	0.1
665.33215	0.1
716.34229	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	716.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
53.37548	0.5
55.01878	0.8
62.03925	0.5
67.05495	1.7
68.40407	0.5
69.03439	1.7
69.07070	0.7
69.82464	3.4
71.04967	0.8
79.05508	0.5
81.03430	6.5
81.07047	1.1
85.02905	1.6
91.03957	0.6
91.05461	3.7
93.07036	0.9
97.02908	3.8
99.04469	6.8
103.03930	0.7
105.07020	0.6
107.04932	0.6
107.08588	0.6
109.02880	13.3
118.03985	0.6
119.04955	11.8
126.63251	0.5
127.03926	20.5
133.06444	0.6
137.05908	1.3
138.09116	0.7
139.03996	0.7
145.02888	1.1
145.04930	2.0
147.04414	100.0
148.04820	0.8
169.04997	10.9
177.05484	1.2
184.07440	0.5
187.06009	5.7
187.07495	0.8
210.84052	0.6
215.04095	0.5
229.07092	9.0
255.06519	1.5
273.07666	4.0
289.09134	1.5
315.08633	11.6
319.13031	0.6
351.10651	2.4
358.28812	0.6
393.11731	4.7
415.23801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03943	0.7
55.05489	0.1
56.96554	0.1
61.02925	0.3
61.55235	0.1
65.03916	0.6
67.01863	0.4
67.05491	0.4
68.99792	0.1
69.03432	1.4
70.98719	0.3
71.04983	0.4
79.05481	0.2
81.03416	7.7
81.07065	0.2
83.04989	0.2
85.02905	0.5
91.03956	0.1
91.05478	4.0
95.04970	0.2
95.08578	0.2
97.02889	2.6
97.06511	0.2
99.04456	2.2
105.07024	0.2
107.04873	0.2
109.02877	18.9
109.10107	0.2
111.08102	0.1
119.04942	12.8
120.08097	0.1
121.10148	0.2
127.03915	5.6
129.06970	0.1
133.10109	0.1
137.05937	0.3
139.03909	0.7
145.02866	0.2
147.04405	100.0
148.04758	1.6
149.09532	0.1
151.03920	0.2
157.06456	0.2
160.25769	0.1
161.01241	0.1
166.08592	0.2
169.04958	13.7
175.07674	0.1
177.05438	0.3
184.07288	0.1
187.06012	0.4
187.07513	0.2
229.07068	0.9
247.08095	0.2
252.15935	0.1
255.04320	0.2
255.06544	1.4
273.07562	5.7
289.09009	0.1
315.08618	12.0
316.08923	0.4
351.10721	0.9
387.14386	0.1
393.11789	4.2
410.13498	0.2
437.01108	0.1
513.83923	0.1
716.34772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.1
53.03953	0.9
55.01867	0.4
57.03438	0.1
58.12750	0.1
65.03921	0.5
67.01868	0.4
68.99789	0.2
69.03430	0.6
70.09276	0.4
71.04990	0.7
73.02923	0.1
81.03423	6.2
83.01343	0.2
85.02908	0.8
87.50655	0.1
91.05484	3.5
95.04984	0.1
97.02892	1.5
99.04459	7.4
100.04797	0.1
103.03961	1.1
109.02884	14.1
110.03222	0.1
115.03923	0.1
119.04950	11.6
120.05279	0.2
127.03922	29.1
128.04245	0.3
139.03882	0.2
141.05539	0.1
145.04970	2.9
147.04416	100.0
148.04759	1.7
151.03902	0.1
157.06528	0.1
165.05574	0.1
169.04971	15.0
170.05284	0.3
171.08096	0.1
175.71843	0.1
187.06035	7.4
188.06360	0.2
211.05994	0.2
213.05470	0.1
229.07085	13.9
230.07445	0.2
244.83904	0.1
247.08078	0.1
255.06555	1.5
273.07584	6.1
274.07895	0.1
289.09167	1.4
315.08636	16.9
316.08939	0.4
351.10782	0.6
393.11801	6.8
394.12210	0.2
608.87476	0.1
747.44562	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	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
67.05508	0.4
69.03416	0.3
69.07083	0.2
71.55988	0.3
79.05499	0.5
81.03431	0.3
81.07056	0.3
83.01114	0.7
83.08617	0.2
85.02917	0.2
87.86667	0.2
91.03989	0.2
91.05483	0.4
93.07024	0.4
94.14056	0.2
95.01114	0.6
95.05016	0.4
95.08635	0.5
97.02671	0.3
97.06552	0.3
105.07050	0.4
107.04970	0.4
107.08609	0.3
109.02903	0.3
109.10172	0.2
119.08598	0.3
121.10134	0.2
126.72141	0.2
127.03721	0.3
133.10156	0.2
137.06035	0.4
137.24324	0.2
139.03722	0.2
141.05275	0.3
145.02840	0.3
151.03958	0.2
153.05493	0.2
156.03984	0.5
157.04753	0.6
161.02954	0.2
169.04718	0.3
173.03012	0.3
177.05614	0.4
184.07422	0.2
185.04239	2.1
201.03699	2.0
201.05307	0.2
203.05307	2.3
220.28961	0.2
227.05255	0.2
241.06900	0.2
257.06400	0.4
259.07944	2.1
275.07407	0.4
301.08997	0.4
303.07242	0.4
305.08289	0.5
317.08603	0.7
317.19894	0.2
319.10028	1.3
321.16949	0.3
329.08463	0.5
331.10016	2.4
335.20682	0.3
342.39163	0.2
345.11530	0.4
347.09506	4.4
359.13324	0.5
363.09070	2.0
365.10547	3.9
373.14624	0.9
387.16318	0.2
391.24448	0.9
391.41818	0.2
401.17950	0.5
415.19415	0.8
421.13141	3.0
437.12762	0.5
455.22769	0.5
483.22076	2.0
493.15262	4.1
507.17191	0.7
521.18524	1.1
535.20190	1.0
535.28540	0.6
549.21619	0.5
553.29858	15.1
554.30310	0.4
563.23297	1.0
577.24420	1.7
603.26617	0.4
605.99963	0.2
617.27802	0.7
645.27307	1.1
681.86554	0.2
691.86224	0.2
715.35089	100.0
716.35431	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	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72008	0.1
55.05494	0.3
65.96991	0.2
67.05492	0.4
69.07076	0.1
75.75013	0.2
79.05497	0.3
81.03435	0.3
81.07047	0.4
83.01104	0.8
85.02899	0.3
91.05486	0.4
93.07051	0.3
95.01110	0.5
95.08584	0.2
96.01851	0.2
97.02812	0.3
98.21512	0.4
105.06972	0.2
107.04970	0.4
107.08639	0.4
107.39722	0.2
109.02876	0.2
109.10166	0.3
116.42574	0.2
119.08588	0.3
125.02112	0.3
127.03808	0.4
129.06990	0.2
132.30627	0.2
133.03474	0.4
135.11679	0.2
137.06007	0.4
139.03726	0.3
141.05171	0.2
143.98587	0.2
157.03552	0.2
157.04774	0.7
169.04713	0.3
177.05463	0.4
184.03403	0.3
185.04250	2.3
187.07825	0.2
201.03682	1.9
202.28929	0.2
203.05287	1.9
227.05513	0.2
241.06799	0.5
242.06448	0.2
257.06342	1.0
259.07925	2.2
259.20801	0.2
275.07208	0.2
292.38815	0.2
301.08954	0.4
305.08286	0.3
317.08566	0.7
317.19794	0.6
319.09805	1.2
329.08209	0.3
331.09964	2.0
335.20703	0.6
345.11545	0.2
347.09543	3.9
359.13223	0.3
359.65430	0.2
363.08929	1.6
365.10565	3.3
373.14871	0.6
387.16599	0.3
391.24759	0.8
401.17792	0.5
415.19397	1.0
421.13144	2.8
437.12823	0.5
441.20892	0.4
449.33792	0.2
455.22531	0.7
463.14520	0.2
483.22055	2.3
493.15363	3.3
507.16690	0.9
521.18341	0.9
535.20111	1.2
535.28271	0.5
536.78168	0.2
549.22302	0.5
553.29834	14.2
554.30658	0.3
563.23236	0.8
577.24615	1.8
603.26392	0.5
617.27533	0.9
645.27087	1.3
715.35077	100.0
716.35394	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	712.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01871	1.7
55.05506	0.3
57.03432	0.4
61.02902	0.4
65.03947	0.4
65.12943	0.3
67.05502	1.9
69.03429	1.1
69.07068	16.3
70.06582	0.7
71.04993	0.8
71.59220	0.4
79.05495	3.7
81.03412	1.0
81.07060	0.9
83.04987	1.1
85.02915	1.3
86.09711	0.9
91.05478	11.4
93.07045	0.9
95.04932	0.5
95.08605	0.7
97.02885	0.9
97.06530	22.5
99.04467	0.6
100.11237	0.3
105.07040	0.7
107.04967	0.9
107.08563	0.9
109.02872	1.0
109.06511	1.2
109.10142	0.6
116.98713	0.3
117.07001	0.5
118.28535	0.3
119.04942	9.4
119.08588	0.5
121.06506	0.9
121.10130	0.6
122.06042	0.5
123.04448	0.4
124.99960	0.3
127.03923	1.1
131.04942	0.4
131.08592	0.3
133.06470	0.4
133.10143	0.7
135.04434	1.0
135.11719	0.8
136.05196	1.5
136.59184	0.3
137.05975	100.0
138.06355	1.1
141.67102	0.3
145.02829	0.7
145.04973	0.4
145.10139	0.5
147.04419	1.1
149.05992	1.0
151.03870	0.4
162.05493	0.4
163.03917	3.0
163.07455	0.5
163.11273	1.3
167.07100	0.6
173.05954	0.7
177.05441	2.0
184.07341	2.6
187.07422	0.3
187.11111	0.8
189.09116	0.3
191.14319	0.4
197.09575	0.7
207.13789	0.3
215.10699	1.9
227.12885	1.4
233.11720	89.0
234.12044	1.5
250.14381	77.3
251.14673	0.9
283.15430	6.6
291.17090	0.4
303.04611	0.5
304.05341	0.3
334.43027	0.3
383.67026	0.3
491.07993	0.4
550.16882	0.4
712.34802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01866	1.2
55.05510	6.3
57.03438	4.1
57.07071	1.2
61.02645	0.7
61.02929	9.1
65.03926	1.1
65.88937	0.6
66.99896	0.5
67.05505	16.2
68.05820	0.6
69.03440	3.1
69.06773	0.6
69.07074	6.4
71.04990	1.5
71.58871	1.1
73.02919	3.8
75.04472	1.0
77.03951	0.7
79.05492	21.5
80.05817	0.6
81.03423	3.5
81.07058	17.5
83.04966	2.1
83.08617	4.4
85.02910	12.4
85.06539	1.8
87.04493	0.6
91.03963	9.6
91.05482	18.4
92.05811	0.7
93.07043	30.1
94.07383	1.1
95.04962	4.1
95.08607	14.2
97.02893	6.0
97.06535	2.2
97.10164	2.4
98.97628	0.6
99.04460	1.2
99.08089	0.7
105.07029	20.5
106.07384	0.9
107.04942	2.1
107.08590	17.1
109.02909	3.7
109.06496	1.8
109.10150	7.9
110.09692	0.7
111.08076	1.6
113.09644	1.0
115.05405	0.6
117.07020	6.9
118.07321	0.6
119.08581	19.7
121.06500	1.1
121.10136	15.7
123.04460	0.8
123.08072	1.2
123.11684	2.5
125.09579	0.8
127.03899	5.9
128.06279	0.6
129.07011	4.7
131.04880	0.7
131.08569	9.0
133.10126	17.7
135.08046	1.3
135.11684	15.4
135.45586	0.5
137.05980	5.6
137.09586	0.7
137.13228	0.6
143.08549	4.1
145.04965	3.3
145.06464	0.7
145.10117	8.8
147.04425	1.3
147.11687	18.2
148.12141	0.6
149.01265	0.6
149.09647	2.9
149.12169	0.8
149.13269	9.1
151.03984	0.8
151.07501	0.7
155.07179	0.7
155.08493	1.1
157.10117	4.3
159.11696	7.5
161.09677	0.6
161.13264	12.1
163.06036	6.5
163.07416	1.0
163.11159	1.9
163.14877	3.0
166.08614	0.9
167.07072	0.9
169.10106	0.6
171.11705	6.3
173.13261	4.9
175.11130	1.5
175.14848	5.1
176.11606	0.6
177.05566	0.5
177.12691	1.8
179.14311	0.6
183.11700	1.1
184.07349	1.3
185.13249	5.5
189.12723	1.1
189.16550	0.7
193.12320	1.3
197.13286	0.8
199.14822	3.2
203.14348	1.2
212.08305	0.8
213.16348	1.6
215.17877	0.8
217.15926	1.0
217.19576	1.1
229.14391	0.8
231.17439	1.3
231.21153	2.3
241.19514	14.1
259.20572	38.7
260.20731	1.0
261.22134	0.6
267.16013	1.9
271.20526	0.9
277.21628	5.6
285.17007	0.8
313.21368	0.6
325.21512	1.0
333.24164	7.1
349.23849	1.0
351.25290	100.0
352.25705	4.6
357.15588	0.9
363.25229	2.9
365.15472	1.2
367.22736	1.6
375.25311	2.7
385.23956	1.0
387.25336	0.9
393.26401	1.2
405.26709	0.8
417.26428	1.3
423.26669	1.2
429.26587	0.8
437.13858	0.6
437.25449	0.9
441.26376	6.1
459.27502	3.9
477.28546	4.2
495.29520	8.0
513.29846	0.8
657.34741	0.9
711.31934	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	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05513	13.5
56.24879	1.1
57.03439	15.8
57.07076	1.5
60.08187	1.2
61.02921	3.1
65.03949	1.3
67.05504	22.3
68.05838	1.2
69.03432	5.8
69.07072	7.2
70.06594	1.4
71.04991	5.1
73.02911	1.8
74.09711	1.2
79.05493	24.7
81.03416	97.2
81.07051	24.5
81.59344	1.0
82.03760	1.6
83.04987	11.4
83.08617	23.1
85.02905	15.5
85.06554	2.0
86.03210	1.3
86.09714	8.7
86.69566	1.1
88.78603	1.1
89.95386	1.0
91.03947	2.1
91.05481	30.1
93.07039	18.1
94.06586	1.4
95.04969	32.2
95.08606	11.4
96.08115	1.3
97.02867	6.0
97.06522	6.9
97.10172	6.8
103.05529	1.7
104.10682	1.3
105.07032	20.1
107.04966	11.4
107.08606	12.3
109.02875	4.2
109.06532	7.7
109.07158	1.1
109.10149	7.4
111.04452	2.7
111.08084	12.6
113.06004	1.4
117.03439	1.2
117.07009	4.2
118.86015	1.1
119.04930	2.2
119.08578	19.7
121.06531	6.2
121.10137	11.6
122.06041	2.3
123.04439	2.4
123.08070	5.3
123.11631	1.9
124.99978	6.2
125.09625	4.5
127.03912	4.8
129.05478	1.4
129.07001	13.6
131.04921	3.2
131.08566	14.7
133.06458	5.1
133.10114	11.3
135.08040	4.2
135.11696	3.5
136.07561	1.2
137.05959	7.6
137.09590	1.5
138.09161	2.5
142.07718	2.6
143.08545	2.3
145.05061	1.0
145.06483	5.6
145.10109	4.3
147.04413	2.5
147.08034	6.1
147.11665	15.1
149.05943	2.2
149.09599	9.5
151.03931	1.2
151.07516	1.2
155.08551	1.6
157.10146	16.8
159.08052	1.3
159.11639	1.5
161.05969	1.3
161.63437	1.1
163.03867	2.1
163.11180	3.4
165.12775	2.9
166.08693	1.3
167.07037	1.3
171.08055	1.7
173.09612	1.9
173.11818	1.6
173.13237	1.4
175.07550	1.3
175.11183	15.6
177.05482	4.4
184.07347	29.0
185.13275	1.7
189.11205	3.9
191.14288	1.3
193.12233	40.9
195.11699	1.4
203.10675	1.9
205.12265	1.6
211.13274	20.1
213.12755	1.5
219.13805	3.9
227.12762	1.4
249.15004	1.7
255.13947	1.3
259.15570	1.8
267.15909	100.0
268.16190	2.3
273.05408	2.4
273.14886	4.7
285.16931	16.9
293.17566	1.3
349.21555	2.4
365.41241	1.3
367.22641	8.1
369.13220	1.1
385.23688	15.8
403.24744	4.0
405.24002	1.3
433.25934	13.7
441.26517	6.6
459.27405	75.2
460.27716	3.0
477.28494	63.7
478.28766	3.5
495.29266	3.6
501.28357	1.4
593.09943	1.2
603.31323	1.3
642.35144	1.2
651.31134	1.4
710.37573	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01871	1.8
55.05513	7.6
56.96544	1.2
57.03441	5.1
57.07055	2.0
61.02928	13.5
67.05167	1.8
67.05502	23.4
69.03436	3.3
69.07068	6.1
71.04987	3.1
71.58669	1.8
73.02904	6.0
75.04461	1.3
75.09246	1.1
77.56807	0.9
79.05051	1.8
79.05492	24.8
80.53065	0.9
81.03430	8.7
81.07055	21.9
83.04975	2.9
83.08625	4.7
85.02908	16.1
85.06544	2.0
86.09730	1.1
91.03948	12.4
91.05477	25.3
93.07044	31.1
93.89983	1.1
94.07368	1.8
95.04982	6.2
95.08609	14.2
97.02879	9.6
97.06538	3.6
97.10204	1.7
99.04451	3.1
99.08084	1.3
103.05472	1.4
105.07024	28.4
107.04935	4.5
107.08594	16.5
109.02880	6.7
109.06503	2.5
109.10145	7.8
111.08062	1.5
113.09624	1.5
115.05429	1.1
117.07010	9.1
119.04906	1.8
119.07785	1.9
119.08581	25.5
121.10141	16.4
123.04420	1.3
123.08054	1.4
123.11695	1.6
127.03928	8.7
128.06244	1.3
129.07034	4.8
131.04916	1.4
131.08572	8.9
133.06548	1.5
133.10133	23.4
135.08047	2.0
135.11690	13.9
137.05974	13.5
137.09619	1.9
143.08528	5.3
145.04984	5.4
145.10138	9.7
147.04414	2.9
147.11690	21.2
148.11989	1.0
149.09610	2.2
149.12234	1.2
149.13222	7.7
157.10155	5.9
159.11694	9.4
161.13246	14.3
163.06010	13.4
163.07414	2.5
163.11182	2.4
163.14798	2.1
165.12766	1.1
171.11665	6.0
173.11870	1.7
173.13283	4.6
175.11256	1.0
175.14880	4.9
177.05508	2.0
177.12680	1.9
184.07338	3.7
185.13252	5.0
187.14842	2.3
189.12715	1.8
193.12190	1.3
199.14870	3.3
213.16335	1.4
215.10703	1.0
217.15880	1.2
229.14548	1.2
231.17624	1.3
231.20940	2.4
241.19478	13.0
242.04001	1.0
259.20566	41.9
260.20892	1.7
267.15952	1.5
277.21542	2.0
333.24368	1.7
351.25287	100.0
352.25677	5.4
363.25189	2.2
367.23044	1.4
375.25180	2.1
408.12036	2.4
417.26489	1.5
437.25323	1.5
441.26196	5.3
459.27225	3.1
463.09729	1.2
477.28333	3.1
495.29553	4.8
513.29840	1.8
639.30005	1.5
710.34082	1.2
711.35455	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	707.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91924	0.8
55.05514	1.3
61.01773	0.7
67.05509	2.2
69.39207	5.9
73.96034	0.7
79.05460	0.9
81.03423	0.9
81.07058	2.3
83.08642	0.8
86.09713	5.4
87.04464	1.2
91.05458	1.8
93.07044	1.4
95.08621	1.1
97.91620	0.7
98.10011	0.8
103.24421	0.7
105.07022	1.0
108.19980	0.7
125.00016	2.9
131.08636	1.0
175.00500	0.9
184.07341	14.9
185.07669	0.9
219.86966	0.7
273.48193	0.8
433.88147	0.8
495.72122	0.9
535.36456	2.5
707.37616	100.0
708.37799	4.7
732.40387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.12141	1.0
54.33586	1.0
55.01876	2.1
55.05516	6.8
57.03430	4.8
57.07061	1.2
61.02932	5.5
67.05506	19.6
69.03426	2.9
69.07072	10.7
70.71294	1.0
71.04997	1.7
71.08641	5.0
71.59345	1.1
71.59730	1.6
72.08665	1.0
73.02921	1.7
79.05492	15.9
81.03410	3.6
81.07056	21.4
83.04976	3.1
83.08614	6.3
85.02893	7.7
85.06546	1.4
86.09721	1.3
91.03954	4.1
91.05483	12.4
93.07050	19.6
95.04968	3.3
95.08605	15.3
97.02911	4.2
97.06539	4.3
97.10186	2.7
99.08095	5.1
103.05448	1.1
105.07030	10.7
107.04950	2.7
107.08590	12.5
109.02866	1.2
109.06503	2.6
109.10170	9.5
111.08100	1.8
117.07025	5.3
119.08588	13.9
121.10143	10.1
122.09577	1.0
123.11754	1.5
125.09648	2.4
127.03906	2.4
129.07037	1.4
131.04953	1.1
131.08560	4.7
133.10147	9.6
135.11690	9.6
137.05995	8.5
137.09622	1.6
139.11191	1.6
143.08597	2.5
145.04967	2.5
145.10124	4.3
147.11696	9.4
149.13286	4.0
151.11258	2.5
153.12732	1.2
157.10138	1.4
159.11708	4.8
161.13216	5.1
163.06079	2.8
163.07518	2.2
163.11172	2.7
163.14835	1.8
165.12753	1.3
171.11713	2.1
173.13251	1.9
175.14836	2.8
175.68321	0.9
177.05495	1.2
177.12808	1.5
179.14299	9.2
184.07329	2.2
185.13280	3.0
187.14746	1.2
199.14876	1.8
201.16342	1.1
207.66734	1.1
229.14337	5.4
241.19551	4.4
259.20630	13.4
267.16016	1.2
269.17499	2.3
277.21628	15.3
310.64380	1.1
330.23032	1.0
333.24347	1.5
351.25305	100.0
352.25562	5.5
369.26364	4.9
403.24768	1.2
444.17157	2.7
444.67426	5.0
445.17285	2.1
459.27472	1.3
477.28421	2.3
495.29669	3.0
513.30634	8.0
639.28772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03950	0.7
55.01861	0.9
55.05508	1.6
57.03446	0.9
61.02907	0.6
63.55704	0.6
65.03937	1.5
65.83390	0.6
67.05503	4.2
69.03427	1.1
69.07079	1.1
70.30047	1.5
73.02441	0.6
79.05492	3.7
81.03413	2.3
81.07053	3.4
83.04979	1.7
83.08616	1.0
84.36638	0.6
85.02924	1.5
85.06556	0.6
86.09680	0.9
91.05489	11.2
93.07036	2.7
94.04198	3.2
95.04967	2.9
95.08608	1.4
97.02891	1.4
97.06506	0.9
97.10152	0.6
103.05469	11.9
105.07042	3.7
105.26214	0.6
107.04966	5.2
107.08602	1.5
108.08157	0.6
109.02886	0.7
109.06480	1.1
109.10158	1.9
111.08149	0.8
115.05450	8.3
116.06236	1.0
117.07013	13.7
118.07325	0.7
119.04942	2.9
119.08599	1.8
120.04331	0.6
121.06532	1.4
121.10209	0.6
122.03642	7.9
123.04424	2.2
123.08051	0.7
127.03991	0.9
127.05476	0.7
128.06194	3.1
129.06995	1.9
131.04929	22.9
131.08569	1.2
132.05679	1.4
133.02933	0.9
133.06496	4.8
133.10118	1.0
135.04353	0.9
135.08066	1.0
136.05186	1.8
137.05980	100.0
138.06297	0.8
141.07010	1.1
142.07771	0.8
142.42415	0.6
143.04913	1.3
143.08600	1.3
144.05650	0.9
145.06491	23.3
145.10078	0.9
146.03632	0.7
146.07245	1.4
147.04425	1.7
147.08040	2.4
147.11662	0.8
149.02324	0.8
149.05969	2.2
149.09558	1.1
151.03922	0.9
151.07556	4.0
152.04617	1.1
153.05551	0.7
153.06995	3.0
153.12662	0.7
155.04926	0.8
155.06035	2.8
156.05672	0.9
157.06461	1.8
159.04433	1.6
159.08076	0.7
160.05170	2.1
161.05997	3.7
162.06728	0.8
163.07545	47.2
164.04648	1.5
165.05502	4.8
165.09242	0.8
167.07051	28.3
169.06479	1.6
170.07292	1.1
171.08046	3.7
172.05209	0.8
173.05983	9.4
174.06738	2.3
175.07547	5.1
177.05493	5.1
177.09106	18.6
179.07037	12.1
180.07799	7.8
181.05042	0.8
181.06509	2.5
181.08458	1.1
183.08014	1.2
184.07338	0.7
185.83260	0.8
187.07585	4.7
189.09114	2.7
190.06296	1.1
191.07068	5.1
191.08617	1.2
192.07927	0.7
193.08600	5.2
194.05821	0.9
199.07561	6.7
201.09061	1.0
203.07028	9.5
203.08723	0.7
205.08586	17.1
206.09361	4.7
207.06532	19.7
207.08408	1.2
207.10205	1.7
209.08118	5.0
211.07574	0.8
211.13219	0.9
213.09061	1.7
217.08662	1.9
218.07329	0.9
219.08083	2.1
219.10027	1.2
231.08064	1.7
231.10152	15.6
233.11667	0.9
235.09590	1.6
245.05841	1.2
247.07535	16.1
247.09920	1.3
249.09039	0.7
258.06802	3.4
259.07516	4.3
261.11328	0.7
267.15884	1.0
271.07504	2.1
274.06320	3.4
275.07025	88.0
276.07422	2.6
277.08548	1.7
283.15512	1.5
284.15671	1.0
285.17029	0.8
287.07040	6.0
288.07632	0.8
289.05106	1.0
289.08493	2.1
293.11792	1.0
303.06458	5.2
303.09927	1.4
305.08090	45.5
306.08545	1.2
307.09659	0.7
315.06467	0.8
321.11353	1.4
329.08060	1.4
335.12701	1.5
339.12280	0.8
344.29251	0.7
359.42096	0.7
365.23276	1.7
367.15411	10.9
368.16275	0.9
385.11670	0.8
385.16464	9.2
386.16998	1.9
387.17688	1.0
467.15051	1.0
483.14392	52.0
484.14594	2.5
491.14853	1.9
495.14322	1.1
509.16000	30.4
509.27716	1.4
510.15869	1.0
510.27945	1.4
535.17212	2.6
539.16772	1.0
671.22919	10.1
689.23456	2.9
707.24664	0.7
707.38409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01864	0.8
55.05497	1.1
57.03445	0.5
57.50837	0.3
61.02933	0.3
65.03943	0.5
66.04707	0.6
67.05507	2.1
68.84560	0.3
69.07066	0.5
71.59251	0.3
71.59628	0.4
72.80945	0.3
78.04716	2.6
79.05485	2.9
81.03408	1.4
81.07058	2.0
83.04983	0.5
83.08598	0.7
85.02885	0.7
86.09679	0.4
91.03935	0.3
91.05475	2.9
93.07047	1.3
94.04200	1.8
94.07364	0.3
95.04951	1.8
95.08604	0.8
97.02882	0.6
97.06541	0.6
103.05458	5.0
104.05750	0.3
105.07022	2.6
106.04160	1.2
107.04949	3.8
107.08588	0.9
109.02832	0.6
109.06514	0.8
109.10160	0.8
111.04423	0.3
115.05444	2.1
117.07007	3.8
119.04920	1.2
119.08577	1.0
121.06489	0.8
121.10134	0.5
122.03650	4.3
123.04433	7.2
124.05237	3.0
128.06288	0.6
129.07028	1.8
131.04927	12.1
131.08537	0.3
132.05740	0.4
133.06493	2.4
133.10129	0.5
134.03584	0.5
135.04420	0.5
137.05975	45.0
138.06261	0.5
141.07018	0.6
143.08519	0.5
144.05640	0.3
145.06479	5.1
145.10175	0.3
147.04395	1.0
147.08015	1.0
149.05995	0.8
151.03893	1.6
151.07530	1.6
152.04660	2.3
153.06985	0.5
155.08530	0.4
157.06506	1.4
159.08086	0.5
160.05200	0.3
160.11775	0.3
161.05939	2.5
163.07545	12.7
163.11127	0.4
165.05470	0.7
165.09097	3.0
167.07036	100.0
168.07378	1.3
171.08113	0.6
173.06013	1.3
174.06673	0.8
175.07535	1.7
176.04814	0.4
177.05511	0.9
177.09109	6.5
179.07010	2.2
180.07765	0.8
181.05006	0.7
181.06450	0.6
181.08589	0.8
183.08009	0.5
184.07372	1.0
187.07506	0.9
189.09093	2.5
191.07045	1.9
191.08578	0.6
193.08600	6.1
199.07588	1.3
202.07780	0.5
203.06941	1.5
205.08601	2.8
206.09404	1.0
207.06551	2.7
207.10139	2.6
209.08122	0.8
215.10721	0.8
217.08534	0.9
219.08022	1.3
219.10184	2.0
225.07755	0.4
229.14241	0.3
231.08057	0.7
231.10179	3.1
233.11693	0.6
235.09563	0.5
237.08977	0.4
247.07471	5.8
255.08109	0.3
257.05963	1.1
258.06845	0.3
259.07614	1.0
267.16071	0.9
268.16238	0.3
271.07596	0.8
273.05566	0.3
273.09100	0.6
275.07019	13.8
276.07388	0.8
277.08832	0.4
283.07602	0.5
283.15390	0.9
284.15771	0.4
285.09128	0.5
287.07025	1.5
289.08566	1.0
295.07422	0.4
296.08334	0.6
299.07043	0.5
301.08594	0.9
302.05609	0.3
303.06458	3.4
305.08081	9.5
306.08453	0.5
307.09714	0.3
311.07019	2.5
313.08615	3.5
315.06662	0.4
315.10217	0.3
316.07291	0.6
317.08038	4.5
327.06354	0.7
328.07080	0.4
329.08066	7.4
330.08322	0.5
331.09662	0.3
335.12860	0.4
339.10052	0.3
341.08194	0.8
342.08810	0.9
343.06165	0.7
343.09561	1.9
355.09766	0.6
367.09753	1.3
367.15128	1.6
379.09705	0.4
381.11252	0.6
385.16406	0.9
386.17352	0.8
387.10349	0.4
391.09686	0.4
399.10458	0.8
403.09521	0.9
404.10593	0.9
405.11176	0.5
407.08966	0.5
413.11823	0.4
419.08905	0.5
421.10779	0.4
426.08548	0.3
431.08780	0.6
432.10208	1.7
433.10611	0.8
434.07675	0.8
435.08514	0.6
436.09186	0.3
441.11545	0.4
442.12180	0.4
447.08667	1.0
449.10315	1.3
459.27194	0.4
460.27618	0.4
461.10126	1.9
462.10922	0.7
463.07678	0.4
464.08743	0.8
465.09085	0.4
465.13736	0.4
475.12363	0.4
477.09238	2.9
478.10229	0.6
479.10712	1.5
481.13055	2.0
483.14383	30.4
484.14685	1.0
489.13116	0.9
491.10303	2.1
492.11905	1.3
493.12851	5.4
494.13367	0.4
495.14362	2.6
504.15726	0.6
505.12546	0.9
509.15948	16.7
509.27670	0.6
510.16528	0.6
510.27841	1.2
519.13879	0.4
521.16248	0.6
523.17615	0.8
528.29230	0.4
535.17535	5.1
539.17114	0.8
639.20099	0.4
671.22705	29.3
672.23035	1.2
689.23761	9.4
690.23364	0.6
707.24683	9.5
707.36792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26775	0.2
57.03406	0.2
69.03397	0.4
71.59354	0.4
77.00900	0.3
81.03399	0.3
82.99427	0.2
82.99891	0.8
85.02876	0.7
94.99824	0.5
97.02875	0.6
101.00867	1.8
109.02883	0.4
113.00820	0.4
119.01920	9.6
120.01967	0.3
122.01344	0.3
127.02373	0.6
127.03892	0.6
131.01920	3.8
131.51936	0.4
133.03494	0.3
137.01865	1.6
137.02933	2.6
137.51941	0.5
139.02420	0.3
139.57727	0.3
142.03532	0.3
143.01889	10.1
143.51852	0.3
145.03456	5.3
145.04677	0.3
147.01357	0.8
149.02934	0.4
152.02412	1.2
152.52464	0.3
153.03856	0.4
155.01910	6.1
157.03494	2.3
158.02411	0.5
159.05022	0.3
161.02960	16.7
163.04543	1.6
164.02397	0.7
167.01897	4.0
169.03473	2.1
171.05049	2.6
173.02963	15.7
173.53035	0.8
174.03055	0.5
175.04492	1.6
177.02467	0.4
179.01845	1.9
181.03397	0.5
182.03462	0.7
184.04549	0.8
185.02950	30.4
186.03065	0.9
187.04535	4.1
189.02603	0.3
191.04005	0.8
196.04527	0.9
197.02951	12.1
198.03236	0.3
199.04460	0.6
202.03951	0.4
203.03955	11.7
203.54074	0.5
204.04141	0.4
208.04524	1.0
209.02950	0.8
215.03998	8.8
216.04262	0.3
220.04445	0.4
221.04984	1.3
224.04485	0.5
227.04008	6.3
228.04298	0.3
233.05070	0.6
239.04099	0.8
245.05066	100.0
246.05275	2.5
254.05545	0.4
257.05038	5.3
263.06128	14.1
264.06198	0.4
268.06686	0.3
275.06110	11.2
284.06622	2.0
284.56689	0.6
286.07813	1.7
287.06039	0.6
293.07172	3.7
305.07169	11.9
316.08682	0.5
317.07202	0.7
323.08472	0.5
335.08289	3.6
347.08218	1.1
364.59930	0.3
365.09302	37.3
365.59372	1.7
366.09573	0.9
383.10312	3.2
384.11176	0.3
401.11340	0.5
406.11792	0.7
407.10239	0.7
425.11401	42.2
426.11673	1.2
437.11533	3.1
455.12405	3.7
485.13434	0.8
527.14459	0.5
707.19983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01855	3.4
55.05510	22.2
57.03428	7.8
60.08149	2.4
61.02914	9.9
67.05170	3.6
67.05504	45.1
69.03427	14.3
69.07072	11.3
70.50483	2.0
70.50816	5.8
71.04990	8.0
73.02903	5.0
73.06569	3.2
79.05492	33.0
81.03411	19.5
81.07059	38.2
83.04977	8.2
83.08610	13.2
85.02902	22.4
86.09718	4.7
91.03963	6.1
91.05473	27.3
93.07037	31.0
95.04979	11.6
95.08608	23.6
97.02905	16.2
97.06525	6.6
97.10177	12.7
99.04471	3.2
104.10754	5.7
105.07021	23.8
107.04948	6.3
107.08595	17.6
109.02880	4.7
109.06548	4.0
109.10170	12.1
111.04494	2.6
111.08055	3.4
117.07011	13.6
119.08579	16.9
119.73701	2.0
121.06501	4.3
121.10143	9.0
123.08064	5.1
125.00090	3.1
125.09630	8.8
127.03909	7.3
128.06224	3.7
129.06993	7.9
131.08582	19.8
133.06493	5.2
133.10120	13.0
135.08067	4.0
135.11676	5.9
137.09576	2.5
138.25972	1.7
141.06909	2.7
143.08568	9.4
145.06479	2.8
145.10130	16.1
147.08060	4.6
147.11699	9.7
149.09596	5.8
149.13278	4.4
153.08960	2.3
153.12729	2.1
155.08566	6.5
157.10139	12.7
159.11720	9.6
161.09595	3.8
161.13295	3.7
163.11159	5.9
167.08568	3.8
169.10144	7.4
171.11719	7.6
173.04498	2.6
173.09650	3.8
173.13304	6.1
175.11008	3.3
177.12698	2.4
178.94754	2.2
183.11757	5.4
184.07353	9.5
185.09674	2.1
185.13255	5.1
189.11195	3.4
195.11743	3.5
197.13264	5.7
199.14818	3.1
209.11641	5.3
209.13419	3.2
211.14845	4.2
227.10349	1.9
227.12776	7.0
253.19566	5.2
275.20111	3.8
283.20502	2.5
297.22147	2.7
299.23782	6.4
335.25946	2.2
339.23135	2.5
397.30768	4.3
421.25867	7.2
435.27487	7.7
451.31952	5.6
484.92279	2.4
525.35760	22.6
541.32721	2.2
543.36823	100.0
544.36780	4.2
569.39490	2.8
585.37756	4.3
669.39471	5.4
687.40558	10.1
705.39960	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19357	0.4
55.05489	0.6
56.05015	0.5
57.07053	0.7
58.06591	0.4
60.08165	6.0
67.05476	1.2
70.07778	1.2
70.08193	0.6
71.07383	3.5
71.08607	0.5
79.05470	0.7
81.07071	0.6
83.08599	0.4
86.09705	34.0
89.05991	0.6
93.07023	0.6
95.08597	0.8
98.98477	3.0
104.10743	2.9
107.08587	0.6
109.10119	0.4
115.22704	0.4
119.08583	0.5
124.47159	0.3
125.00003	21.2
140.25925	0.4
143.01031	0.5
159.11813	0.4
177.90294	0.4
184.07339	100.0
185.07756	0.7
205.45494	0.5
227.12856	0.6
265.64114	0.4
336.48602	0.4
543.36438	0.4
704.44934	20.5
705.44562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	14.3
54.67309	3.2
55.01882	14.7
55.05508	37.2
57.03445	15.8
57.07067	10.5
57.51683	2.8
59.04999	4.0
61.02919	4.8
65.03925	8.1
67.05507	100.0
69.03143	3.4
69.03437	41.4
69.06779	2.8
69.07073	32.2
70.20937	10.9
71.01340	2.9
71.04986	16.8
71.08622	7.3
73.02908	3.5
79.05491	70.5
81.02976	5.3
81.03419	69.9
81.07057	96.6
83.04973	23.8
83.08612	18.7
85.02911	23.6
85.06526	7.3
85.10165	7.4
87.04458	2.9
89.06050	19.6
91.03933	3.1
91.05484	64.9
93.06468	5.8
93.07044	94.8
95.04971	27.2
95.08605	59.5
97.02903	30.7
97.06535	18.5
97.10168	13.5
98.20892	3.4
99.04432	6.8
99.08088	4.6
101.02366	3.9
101.06052	3.1
105.07028	55.3
107.04970	17.7
107.08598	56.0
108.94109	2.7
109.02887	17.2
109.06544	13.7
109.10154	25.3
111.04455	13.9
111.08075	8.8
115.05454	6.4
117.07028	29.1
119.08572	41.9
121.06494	10.3
121.10149	37.5
123.08084	9.5
123.11673	5.6
125.09609	8.0
127.03905	20.9
128.06255	5.0
129.05501	4.6
129.07034	15.1
130.07809	2.8
131.08556	40.0
133.06476	10.8
133.08583	9.4
133.10133	29.2
135.08061	8.1
135.11684	19.4
137.09628	5.2
141.07007	3.7
142.07744	3.8
143.08588	12.3
145.06459	5.7
145.10129	36.0
147.08063	7.0
147.11685	22.1
149.09610	11.6
149.13260	14.2
151.11214	5.2
153.12772	4.9
155.08527	13.9
157.10123	11.7
159.08089	5.3
159.11688	21.1
161.09569	5.1
161.13255	6.9
163.11240	16.2
163.14792	3.6
165.12781	3.6
167.08580	3.7
169.10138	7.7
171.08018	3.6
171.11678	13.1
173.04472	18.6
173.09595	6.5
173.13220	13.6
175.11186	4.6
177.12756	5.6
181.10170	5.2
181.12219	9.3
183.11708	7.2
184.07320	4.9
185.09615	3.8
185.13251	8.7
187.11220	4.5
187.14795	5.8
191.10660	7.4
195.13777	6.1
197.13164	5.0
199.10986	3.6
199.14886	4.3
201.12656	3.4
209.11673	23.4
209.13354	4.4
211.14990	3.4
227.12680	20.5
247.20601	4.8
259.20660	6.7
267.15942	4.7
269.17526	12.4
275.20062	30.5
283.15356	8.4
285.10022	4.8
293.21149	3.9
301.16400	4.2
315.23416	3.7
327.23520	3.1
331.22531	4.2
335.25903	8.8
345.24341	3.4
349.23856	15.0
351.23178	4.9
353.15848	4.3
353.24582	2.9
353.73682	3.2
369.24139	7.4
383.22101	2.9
395.20657	3.6
413.22028	6.1
415.30051	4.0
427.19525	5.0
451.31824	5.1
469.32983	3.7
501.35641	3.4
515.37427	7.2
525.35754	21.7
527.36340	3.6
543.36877	56.2
561.37939	6.1
564.40448	5.2
607.34589	4.9
651.39154	3.9
669.40112	14.5
687.40881	32.1
705.42023	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01876	0.7
55.05507	1.0
56.96539	0.6
61.02915	0.7
67.01871	1.2
67.05487	1.7
69.03414	2.1
69.07048	1.1
70.06587	1.0
71.04971	1.4
71.59360	0.8
72.80644	0.5
79.05486	1.5
81.03410	4.4
81.07043	2.2
83.04964	0.9
85.02920	4.0
85.19925	0.5
86.09705	0.9
89.03924	2.2
91.05466	1.7
93.07027	1.4
95.08589	0.9
96.14141	0.5
97.02895	2.5
97.06516	1.0
97.08123	0.5
99.04458	3.4
103.03968	0.5
107.04958	0.7
107.08584	0.9
109.02879	9.5
109.06516	0.7
109.32480	0.5
111.04481	0.5
117.03371	7.0
119.04959	0.6
119.08572	1.3
120.08086	1.1
121.06464	0.8
121.10132	1.0
122.05991	1.0
127.03913	17.9
127.31518	0.5
133.10132	1.0
135.04369	0.9
135.26538	0.6
136.07544	1.6
137.05966	1.8
137.09579	0.8
145.02847	38.9
145.04913	2.2
145.10091	0.7
146.03294	0.5
147.04410	4.2
147.11688	0.5
148.04826	0.6
149.05959	3.4
160.67574	0.5
163.03957	0.8
164.07050	2.3
165.07654	0.5
165.09126	3.9
167.07051	0.8
169.04942	2.4
177.05469	100.0
184.07249	1.2
186.05525	1.7
187.05981	3.1
189.12714	0.6
195.06534	1.5
198.11223	1.1
217.09824	0.6
229.07098	3.9
277.08640	0.9
285.07608	0.9
289.09042	1.5
303.08624	22.6
381.11804	19.6
399.10910	0.6
471.29871	0.6
518.53302	0.7
524.23541	0.6
542.32983	0.8
704.36450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
57.07072	0.6
58.06634	0.5
60.08167	6.6
67.05495	0.5
69.07062	0.3
69.69839	0.1
70.28509	0.6
71.07378	4.0
79.05524	0.2
80.97454	0.2
81.07063	0.4
83.08607	0.2
86.09708	35.2
87.10039	0.4
89.06039	0.2
93.07043	0.3
95.08600	0.4
98.98470	2.8
100.66930	0.1
104.10746	3.1
105.06976	0.1
107.08617	0.2
109.10207	0.3
116.99499	0.2
118.59631	0.2
121.10155	0.2
125.00010	22.4
135.11708	0.3
143.01086	0.5
145.10115	0.2
163.11235	0.3
166.02682	0.3
184.07346	100.0
185.07790	0.7
198.25493	0.1
201.03415	0.1
238.37900	0.1
263.26724	0.1
273.89584	0.2
384.00122	0.2
496.34171	0.2
529.28656	0.2
608.26379	0.2
704.44977	17.4
705.44904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74361	0.7
56.05028	0.8
60.08166	6.7
67.05492	0.8
67.37621	0.6
68.20980	0.6
70.22110	1.2
70.22524	2.2
71.07370	2.4
72.06407	0.7
81.45233	0.7
83.58843	0.6
86.09707	28.9
98.21486	0.8
98.98466	3.1
104.10744	3.4
124.99095	1.1
125.00008	21.3
137.48631	0.7
181.65784	0.7
184.07341	100.0
291.17319	0.7
702.48077	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	702.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01387	0.1
51.73592	0.1
53.03927	0.2
53.72863	0.2
55.01876	0.2
55.05508	6.6
57.07065	0.2
67.05494	0.4
69.03430	0.4
69.07058	0.5
69.93844	0.3
69.94260	0.7
70.06590	1.4
71.04981	0.5
73.72358	0.2
75.05204	0.1
75.16785	0.2
79.05495	0.6
79.71038	0.2
81.03404	0.6
81.07048	0.5
82.06574	1.7
83.04979	0.8
83.08615	7.8
83.09116	0.4
84.08134	0.5
85.02893	1.1
85.06542	0.5
86.09705	0.2
90.84737	0.2
91.05450	0.4
93.07073	0.2
95.04996	0.3
95.08566	0.2
97.02900	0.5
97.06532	1.4
98.09690	1.1
99.04452	0.2
100.07628	2.5
100.11253	46.7
101.11589	0.4
105.07084	0.2
107.04941	0.3
107.08596	0.2
108.07194	0.2
109.02879	0.4
110.06055	1.7
111.04441	4.5
112.07598	1.0
112.11232	0.3
116.98663	0.2
117.13905	1.0
118.85102	0.1
119.04926	0.4
119.08545	0.4
123.04394	0.3
124.07614	0.2
126.09130	1.4
127.03909	0.6
127.08676	1.4
128.07076	3.4
129.05516	0.3
131.04965	0.2
133.10118	0.2
135.04379	0.2
137.05975	1.6
139.08670	3.0
140.07069	1.6
143.90808	0.2
143.92244	0.1
147.04393	0.5
147.11664	0.4
149.13248	0.2
150.05434	0.2
151.03902	0.2
161.06017	0.3
163.07539	0.2
164.07065	0.2
164.14348	0.5
166.15938	0.5
167.07047	0.4
175.07555	0.2
177.05473	0.2
177.09154	0.2
179.06956	0.2
182.15398	16.7
183.15805	0.2
189.09183	0.2
192.13834	0.6
193.08757	0.2
193.12262	0.2
201.00781	0.2
209.16487	22.3
210.14885	20.5
211.15132	0.3
226.19125	7.8
227.17542	1.4
228.15909	1.6
233.11688	0.9
250.14345	0.7
270.19186	0.2
285.16852	0.4
303.04913	0.4
308.27008	0.8
309.25522	0.3
326.27991	4.5
335.24200	1.0
336.22775	4.5
343.30652	0.3
377.01578	0.3
417.32306	0.6
435.33316	9.6
436.33688	0.3
453.34354	100.0
454.34604	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	702.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05508	13.5
57.03439	9.8
57.07068	5.5
59.05013	3.1
61.02922	3.4
65.03934	2.9
67.05505	100.0
69.03441	3.5
69.07066	11.0
69.24931	16.2
70.06580	3.6
71.04980	4.4
74.66759	1.3
79.05495	30.0
81.03422	4.0
81.07061	35.9
83.04995	2.4
83.08614	7.5
85.02901	5.0
85.06528	4.0
86.09695	2.3
88.07629	2.9
91.03982	1.9
91.05484	34.7
93.07047	32.5
95.04967	5.2
95.08610	23.7
97.02892	4.2
97.06541	2.6
97.10168	3.1
99.08109	3.2
102.09167	2.5
103.64609	1.6
105.07032	35.9
107.08596	19.6
107.30482	1.4
109.06521	2.5
109.10154	74.5
111.08059	3.4
116.60552	1.3
117.07009	8.5
119.08591	35.1
121.06501	2.2
121.10141	12.9
123.11684	3.6
125.00021	1.7
125.09642	2.3
129.07014	6.3
131.08566	14.3
133.06551	1.5
133.10149	23.3
135.08029	1.8
135.11690	11.7
137.09552	3.5
143.08522	7.1
145.10107	12.9
147.11688	24.7
149.02341	6.3
149.13301	7.9
155.10698	3.0
157.10139	5.0
159.11716	12.0
161.13252	16.7
163.14873	3.2
169.10095	2.0
171.11731	8.3
173.11749	24.1
173.13261	6.0
175.14796	6.9
177.12762	1.4
184.07372	5.5
185.13258	6.2
187.14799	3.5
189.11177	1.9
193.04951	3.5
199.14838	2.8
208.29852	1.5
224.84920	1.8
227.12775	9.7
229.14359	76.1
231.21075	3.9
241.19510	18.4
256.26395	5.7
259.20572	65.4
261.22186	2.9
277.21817	1.7
304.26297	2.4
315.23157	3.3
333.24243	45.6
395.29803	2.6
429.12003	2.3
473.14191	1.6
487.34238	22.1
505.28006	2.6
505.35220	33.0
540.37720	2.4
544.78076	1.7
561.37994	10.7
702.37622	12.7
703.38208	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	703.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03442	0.6
59.47179	0.3
66.79358	0.2
67.05506	1.8
69.03422	0.4
69.07042	0.6
69.91232	1.5
71.05013	0.6
79.05511	1.2
81.03416	0.5
81.07066	1.8
82.56306	0.3
91.05486	1.0
93.07063	1.2
94.70000	0.3
95.04969	0.3
95.08607	1.3
98.21371	0.5
105.07049	0.7
107.08566	0.7
109.06525	0.3
109.10165	1.1
119.08601	0.7
121.10199	0.5
130.47664	0.3
131.08571	0.4
135.08035	0.3
135.11650	0.3
145.10187	0.5
148.34059	0.3
169.10104	0.3
169.54044	0.3
173.11763	0.3
184.07440	1.1
185.04282	0.4
203.05275	1.9
229.14264	0.5
237.14046	0.5
259.07913	1.7
305.08545	0.3
341.11642	0.3
347.09619	1.2
347.45831	0.3
365.10593	3.3
383.92053	0.3
385.64517	0.3
421.13120	1.1
506.35767	0.8
541.33490	21.9
542.34076	1.1
562.37549	0.7
581.77179	0.4
653.26086	3.7
654.26129	0.5
685.28851	0.6
703.38770	100.0
704.39008	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	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
53.64454	1.2
55.01873	2.2
55.05509	36.2
57.03434	13.6
57.07072	3.0
59.04996	1.2
60.08166	3.9
61.02929	4.5
67.05501	42.3
68.15697	1.3
69.03422	5.2
69.07064	14.4
71.07355	1.4
71.08626	2.2
71.58445	1.4
71.64169	1.1
73.02910	1.4
75.23616	1.1
79.05489	29.6
81.03415	3.8
81.07058	39.9
83.04967	3.2
83.08614	25.1
85.02905	5.4
85.06537	1.6
86.09706	17.7
91.05493	11.3
93.07039	26.3
95.04975	4.0
95.08599	24.7
97.02889	1.7
97.10168	58.4
98.98489	2.3
99.08105	1.5
99.15016	1.3
104.10744	1.4
105.07037	7.3
107.08586	28.9
109.06474	1.3
109.10156	14.9
111.08104	1.8
117.07005	3.8
119.08593	6.7
121.10138	11.0
123.11709	5.1
123.52026	1.6
125.00000	13.5
125.09628	57.1
131.08560	5.7
133.10132	4.9
135.08063	5.1
135.11682	6.9
135.59442	1.0
143.10672	1.8
145.10135	3.5
147.11696	5.1
149.13223	5.4
153.09116	4.2
159.11722	4.3
159.59416	1.2
161.13210	3.2
163.14798	2.6
165.05756	1.4
171.10161	2.8
173.13274	3.9
179.14297	1.2
184.07341	51.0
187.14822	2.7
189.11203	41.9
227.12772	70.6
227.20160	2.4
243.21126	5.2
245.13846	100.0
261.22125	22.3
279.23288	2.8
309.30331	1.1
317.24753	3.9
327.99387	1.2
335.25781	63.0
353.26630	1.2
354.78244	1.3
382.30518	1.4
421.82294	1.2
431.31595	2.2
468.37805	2.8
487.34055	8.2
505.35181	41.6
506.35583	1.4
523.36169	3.4
529.39154	5.5
621.40363	1.2
691.89398	1.5
702.42664	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	702.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01871	4.1
55.05515	40.5
57.03436	13.8
57.07078	5.2
57.47543	1.0
57.49893	1.0
59.04990	2.2
59.98252	0.9
61.02924	4.7
65.03932	1.8
67.05508	51.0
67.89410	1.0
69.03432	8.9
69.07071	14.3
71.04985	1.1
71.08636	2.5
73.02946	1.6
73.54642	1.0
79.05495	32.7
79.43372	1.0
81.03415	2.3
81.07062	46.3
82.07932	1.1
83.04989	4.6
83.08620	29.7
85.02904	3.5
85.06546	2.9
86.09700	6.0
89.06030	5.1
91.03948	1.5
91.05490	13.1
93.07047	34.3
95.04955	4.2
95.08608	30.2
97.02906	3.6
97.06552	2.2
97.10174	64.7
100.10582	1.1
102.19632	1.1
105.07037	11.6
107.08595	35.5
109.06543	1.4
109.10155	18.2
111.08080	3.0
117.06994	5.9
119.08606	8.1
121.10164	14.5
123.08060	1.4
123.11720	4.3
125.00038	3.8
125.09634	57.8
131.08563	6.9
133.08589	3.0
133.10139	8.1
135.08087	4.5
135.11691	9.2
143.10689	4.0
145.10110	6.4
147.11679	3.4
149.09644	1.3
149.13306	5.9
153.09116	3.5
159.11682	3.2
161.13281	3.7
163.14815	2.3
171.10211	3.8
171.11627	1.5
173.13242	3.8
175.14828	1.4
177.11356	1.5
177.16359	1.1
184.07361	16.5
187.14857	2.0
189.11227	42.0
227.12785	69.4
227.20062	23.8
233.22849	1.3
243.21059	6.2
245.13860	100.0
252.16072	1.4
259.51151	1.2
261.22159	27.0
279.23196	3.7
306.27930	1.3
317.24747	4.7
335.25803	95.4
336.26099	3.0
431.31790	2.2
437.58438	1.2
468.37787	2.3
487.34299	7.9
505.35257	72.6
506.35583	2.2
523.36243	3.8
604.42694	1.6
702.39514	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	698.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01868	1.7
55.05511	6.9
56.05024	0.5
56.91759	0.6
57.03437	2.7
65.03940	1.6
67.05507	22.4
69.03426	0.9
69.07069	5.1
70.87085	0.6
71.04996	1.1
72.37363	0.5
79.05501	16.6
81.03420	16.9
81.07061	19.2
83.04977	2.3
83.08624	5.2
85.06551	0.7
86.09724	0.6
89.82146	0.5
91.05486	19.1
93.07049	17.7
95.04966	7.0
95.08609	13.5
97.02906	1.2
97.06540	1.9
97.10159	0.9
103.05445	0.9
105.07031	11.4
107.04962	2.2
107.08607	9.7
109.06532	2.2
109.10159	6.1
111.04459	0.7
111.08095	1.3
115.05457	1.2
117.07020	3.7
119.04943	3.5
119.08579	7.6
121.02856	0.6
121.06487	2.9
121.10154	7.3
123.04446	3.4
123.08054	1.4
123.11719	1.4
125.09649	1.0
129.06996	3.0
131.04958	0.8
131.08572	5.8
133.06496	3.4
133.10130	6.1
135.04443	3.3
135.08095	1.1
135.11697	2.9
137.05980	20.2
137.09605	1.0
137.13319	0.7
141.07083	0.6
143.04985	0.7
145.06525	2.7
145.10159	1.9
147.04430	3.6
147.08052	2.0
147.11676	3.7
149.06000	5.1
149.09622	3.7
149.13281	1.3
151.07504	0.7
151.11189	0.8
154.08696	0.7
155.08623	0.8
157.06512	1.2
157.10132	3.4
159.08075	2.1
159.11760	1.6
161.05986	8.3
161.13217	0.9
163.05959	0.6
163.07545	3.6
165.12822	0.8
171.08110	1.7
173.06004	4.0
173.09644	0.9
173.13347	0.9
175.07538	5.5
175.11185	3.1
177.05515	0.8
177.09125	0.8
183.08127	1.7
184.07347	2.0
185.06081	1.0
185.09615	0.8
187.07552	6.4
189.09149	2.6
190.83273	0.7
191.07018	0.9
193.12263	6.1
197.09747	1.0
199.07605	1.7
200.08438	0.6
201.09175	1.7
211.13185	3.2
213.09190	1.1
216.01155	0.7
217.08740	0.9
239.14264	0.7
257.15424	4.3
262.95981	0.6
285.14935	3.3
301.18298	0.7
302.17609	3.6
303.16025	2.3
311.16550	1.6
318.55392	0.6
328.19202	0.7
329.17502	4.9
333.16959	0.9
335.25760	10.8
336.26117	0.7
341.17410	0.8
346.20099	6.9
347.18771	1.8
358.20062	0.7
402.22806	1.3
403.21191	0.8
420.23965	8.1
506.49863	0.6
539.37250	1.2
571.37604	0.7
607.40491	0.7
663.42627	1.1
680.45477	6.3
681.43951	2.1
698.46277	100.0
699.35767	1.2
699.46637	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	700.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01841	0.5
55.05497	0.9
57.03430	0.8
61.02935	1.0
64.27293	0.5
67.01856	1.6
67.05499	1.2
69.03411	1.9
69.07045	1.0
71.04971	1.2
73.02913	0.5
75.18904	0.5
79.05471	0.8
81.03413	4.5
81.07053	2.3
82.07402	0.6
85.02908	2.7
91.03931	0.7
91.05474	4.7
93.07025	0.8
95.04978	1.1
95.08592	1.2
97.02913	3.6
97.06541	1.0
99.04448	4.0
103.03925	0.7
105.07006	1.0
107.04934	2.2
107.08608	1.0
109.02873	10.1
109.06511	0.7
109.10137	1.0
109.48756	0.4
111.08014	0.5
119.04939	10.3
119.08572	1.3
120.08120	0.6
121.06538	0.8
121.10126	1.1
123.04486	0.8
127.02960	1.2
127.03913	24.4
131.08488	0.6
137.05997	1.6
141.38274	0.5
145.04962	2.1
145.06462	0.8
145.10114	0.6
147.04407	100.0
147.08043	2.0
148.04759	1.3
151.03915	0.6
162.09097	1.2
164.07068	0.6
165.05490	1.1
166.08534	0.9
168.66133	0.6
169.04973	2.6
172.07524	0.9
173.05969	0.8
177.05479	0.9
184.07324	1.1
187.06007	4.0
190.08594	4.0
208.09662	2.3
229.07086	6.3
255.06587	1.6
273.07574	24.1
274.07932	0.7
289.09006	1.0
315.08524	0.9
317.81006	0.5
351.10742	18.5
377.55969	0.6
394.14969	1.7
490.14078	0.5
528.51941	0.5
537.32434	1.3
538.32733	1.7
699.36877	0.9
699.48431	2.5
699.98773	1.8
700.37866	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	701.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
55.94370	0.2
67.05508	1.4
71.58946	0.3
79.05502	0.6
80.70160	0.2
81.03416	0.3
81.07050	1.0
83.04986	0.3
91.05501	0.7
93.07056	0.6
95.04989	0.3
95.08649	0.6
95.71456	0.2
100.37886	0.2
105.07045	0.7
107.08620	0.6
109.10162	0.8
119.08537	0.5
125.09720	0.3
133.10164	0.4
137.05995	0.3
145.10120	0.3
184.07407	0.7
185.04269	0.6
210.74265	0.3
229.14380	0.6
234.23373	0.2
259.07944	0.4
281.83099	0.2
347.09662	0.9
503.33646	0.5
504.34018	1.4
539.31897	21.9
540.32233	0.4
560.36877	0.9
701.37158	100.0
702.37592	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	698.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
55.05515	12.7
56.55651	1.0
57.03432	3.4
57.07080	27.9
59.05008	2.2
67.05510	63.3
69.07076	10.8
69.40799	11.0
71.04987	3.3
71.08282	1.8
71.08640	24.7
74.24471	1.3
79.05495	6.2
81.03381	2.1
81.07065	23.3
83.04993	1.6
83.08614	14.3
85.02903	1.6
85.06553	2.3
85.10188	12.7
91.05475	6.4
93.07043	7.4
95.08613	22.6
97.10176	7.6
98.98460	2.3
105.07033	2.0
107.08577	2.9
109.10163	58.9
110.10506	1.5
111.08114	2.6
119.08602	5.0
121.10201	2.5
123.11721	4.3
125.09652	2.9
133.10172	1.7
135.11728	1.7
137.09674	1.4
155.01065	2.0
155.10719	1.4
163.11121	1.9
163.56216	1.2
173.11765	13.5
184.07381	2.1
198.14926	8.5
206.73186	1.2
227.12830	2.0
227.20099	3.5
229.14362	5.2
239.23788	4.3
245.13940	3.0
251.07669	1.2
252.39084	1.3
256.03336	1.3
276.34927	1.2
282.28040	5.3
301.16629	2.3
313.27277	9.2
352.15341	2.1
437.36618	1.3
467.37378	100.0
468.37601	5.7
513.37732	1.7
521.37573	1.7
539.39233	7.1
557.40503	64.9
558.40582	3.9
590.38019	5.5
608.38708	1.7
662.40167	9.0
674.09003	1.2
698.45117	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	698.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01864	1.1
55.05265	1.4
55.05513	19.0
55.35406	0.8
56.16928	0.8
57.03435	5.6
57.06824	1.2
57.07076	12.9
57.57384	0.7
60.45313	0.7
61.02647	1.3
61.02929	18.8
62.33149	0.9
65.03929	0.9
67.05506	28.9
69.03423	2.5
69.07068	33.3
70.64408	1.5
70.64767	2.2
71.04961	1.4
71.08637	8.4
73.02921	6.0
75.04469	1.9
79.05494	11.6
81.03410	2.2
81.07056	33.9
83.04974	1.5
83.08622	31.1
85.02439	1.4
85.02911	22.7
85.06541	1.7
85.10200	4.0
86.09744	0.7
91.03403	1.3
91.03955	20.0
91.05481	4.0
93.07055	19.4
95.04976	1.5
95.08610	35.1
97.02898	12.8
97.06533	6.6
97.10172	20.7
99.04438	1.2
105.07018	2.5
107.08597	14.5
109.09463	1.2
109.10160	17.6
111.08083	5.8
111.11726	8.4
115.03940	1.6
119.08570	2.2
119.91647	0.8
121.10148	31.3
121.11024	1.7
123.11713	7.8
125.09618	2.7
125.13284	1.8
127.03912	8.8
131.08586	1.6
133.10143	1.7
135.11697	25.4
136.06180	2.9
136.11992	1.2
137.05965	2.7
137.13251	4.0
139.11176	1.8
143.10660	1.1
145.04953	10.3
147.11581	0.9
149.13268	11.9
151.14757	4.5
152.50366	0.8
153.12737	2.0
163.06029	20.2
163.14825	3.9
165.16359	3.7
167.14371	1.1
177.16379	2.3
183.33473	0.8
184.07359	1.7
191.17992	2.2
199.16878	1.0
202.25047	0.9
219.77113	0.9
247.24217	30.4
265.25275	92.7
266.25641	2.0
283.26337	18.2
327.17706	0.9
335.25705	2.0
339.28955	100.0
340.29379	1.9
346.20032	1.1
357.29996	71.3
358.30264	1.3
420.24332	0.9
483.32840	1.0
501.34283	4.4
649.25476	1.1
663.38873	1.3
667.27759	1.2
680.44495	1.7
698.46313	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	697.1609
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.73172	0.2
53.03941	0.6
54.06692	0.2
55.01855	0.5
55.05489	0.3
57.03442	1.3
61.02919	0.4
67.05494	0.3
68.99786	0.5
69.03082	0.3
69.03429	4.0
69.32050	1.4
69.32472	0.3
71.01344	0.2
71.04992	6.3
71.14529	0.2
73.02912	1.0
75.04469	0.4
77.82965	0.1
81.03419	3.5
83.04981	1.1
85.02905	11.2
86.99843	0.2
87.00827	2.5
87.04447	0.3
91.03957	0.4
95.04953	0.4
97.02892	2.1
97.06539	0.3
99.04441	1.1
100.61467	0.2
103.03947	0.3
105.01854	1.4
105.07050	0.2
109.02885	2.8
111.00785	0.7
111.04439	0.9
117.01849	0.6
121.02861	0.5
123.04459	0.3
127.03921	4.5
129.01828	0.2
129.05498	1.7
135.04378	0.3
137.02338	2.2
137.05974	0.5
145.04964	1.5
147.02882	0.3
147.06532	0.3
149.02348	0.2
151.03940	0.3
153.01831	2.3
153.05420	0.2
159.02913	2.5
163.03899	0.4
165.01846	1.6
171.02820	0.2
171.06500	0.2
173.05988	0.3
177.03995	0.2
177.05460	0.3
181.04929	0.3
183.02971	0.8
189.03862	0.3
195.02882	0.3
195.06586	0.2
201.05531	0.9
219.06471	0.2
229.04976	2.6
231.05011	2.5
233.11832	0.3
247.06003	0.6
255.08533	0.3
257.04443	2.4
274.04684	0.6
285.03857	0.8
303.04987	100.0
304.05322	1.9
315.04990	0.5
327.05200	0.2
345.06088	1.0
359.09851	0.7
369.06244	0.5
377.10822	0.2
413.08575	0.2
431.10172	0.2
442.16135	0.2
442.21909	0.2
449.10736	0.7
551.10358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80363	0.9
53.03944	2.7
55.01865	3.4
55.05508	8.1
57.03433	4.9
60.04520	0.8
61.02928	15.0
61.60270	0.8
65.03935	2.0
67.05505	14.9
67.31170	0.8
69.03431	8.3
69.07064	8.3
70.52668	3.1
71.04990	3.1
73.02919	5.8
79.05492	15.1
81.03413	9.6
81.07056	28.2
83.04981	4.2
83.08641	5.1
85.02908	17.5
86.06040	1.1
86.09696	2.4
91.03958	6.7
91.05483	15.9
92.69444	1.0
93.07050	13.5
95.04974	10.7
95.08614	10.1
97.02900	11.6
97.06518	6.6
97.10166	4.3
98.48361	0.9
99.04472	2.5
99.08079	1.2
101.02353	1.3
103.05486	1.9
105.07030	11.6
107.04960	7.9
107.08592	11.4
109.02851	4.9
109.06536	5.6
109.10154	6.4
110.09675	1.4
111.04409	1.4
111.08099	3.0
115.05478	1.0
117.07000	6.0
119.04975	5.1
119.08582	13.6
120.08174	1.1
121.06509	6.4
121.10139	6.9
123.04440	4.3
123.08065	2.3
123.11678	1.3
125.00031	1.1
125.09627	2.8
127.03940	8.3
129.05557	0.9
129.07002	5.2
131.04918	2.5
131.08572	8.2
133.06477	4.8
133.10147	5.4
135.04428	3.4
135.08073	4.9
135.11732	2.5
136.07579	1.2
137.05969	28.6
137.09604	3.1
138.09155	1.8
139.11203	1.3
141.01859	1.1
141.07019	1.4
143.08588	3.2
145.02832	2.1
145.05019	1.6
145.06531	2.9
145.10115	6.9
147.04404	9.7
147.08046	7.5
147.11697	4.1
149.05968	5.4
149.09602	5.0
149.13235	1.0
151.03873	1.5
151.07550	1.5
154.08614	1.7
157.06476	1.1
157.10165	4.8
159.08073	2.5
159.11710	2.2
161.05984	9.5
161.09619	5.8
163.03957	2.4
163.07587	2.8
163.11160	4.8
164.07124	2.0
165.09117	1.1
165.12805	1.0
166.08664	2.0
167.07085	1.4
169.06464	1.1
169.10185	1.4
171.08052	2.3
171.11752	1.7
173.06033	3.4
173.09671	2.2
175.07591	4.2
175.11185	3.4
176.07037	1.1
176.10744	2.5
177.05511	3.6
177.09122	2.4
177.12831	1.1
181.04903	1.0
184.07336	7.3
185.09634	1.9
186.63458	1.0
187.07526	5.8
188.07013	1.4
189.09132	2.9
189.11189	1.6
189.12720	1.2
191.07060	1.1
193.12274	2.6
195.13896	1.0
198.11351	1.3
199.07550	2.3
199.11345	1.0
201.09157	1.9
202.12318	1.2
203.10701	1.3
204.10161	1.4
211.07491	1.0
214.08632	1.0
215.10616	1.2
217.12206	1.0
223.13425	1.2
227.17967	1.3
233.09680	1.5
245.19006	2.2
249.14874	1.6
254.27614	1.0
255.17528	1.5
273.18497	18.6
275.07056	1.5
285.14728	4.5
289.08603	19.2
289.11551	1.5
291.19495	13.3
292.06793	1.4
302.17514	4.8
303.16006	3.4
303.23547	1.2
321.24020	4.7
339.25488	1.5
347.22263	1.5
365.23361	3.2
420.24014	1.1
444.27863	1.1
465.28717	1.1
500.30148	2.1
501.28696	1.8
518.31165	12.0
536.32166	100.0
537.32703	3.8
614.33160	2.4
638.74359	1.1
644.34283	1.7
662.35590	6.2
680.36847	7.8
698.27930	4.6
698.37518	78.5
699.38733	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	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96988	0.8
53.03929	1.4
55.01862	1.0
55.05511	10.9
56.96561	0.9
57.03433	4.5
57.07076	8.9
61.02925	20.4
62.42138	0.8
65.03954	1.5
67.05506	47.1
67.94489	1.0
69.03422	3.5
69.07068	17.9
70.71469	1.9
70.71865	1.7
71.05004	2.3
71.07367	0.9
71.08656	4.3
73.02907	6.9
79.05494	15.5
81.03414	1.8
81.07059	60.0
83.08621	14.0
85.02428	1.8
85.02911	29.2
85.06532	1.9
85.10151	1.2
86.09721	6.4
91.03959	22.8
91.05474	11.4
93.07041	20.5
95.04977	1.7
95.08607	54.5
97.02888	12.1
97.06539	5.7
97.10167	7.4
99.04440	2.1
99.08093	3.4
105.07043	7.5
107.08606	11.0
109.02860	1.7
109.10162	26.1
111.08063	3.7
111.11742	2.5
113.09637	1.0
115.03909	1.2
119.08571	8.1
121.10142	17.9
123.08051	1.5
123.11711	15.1
124.99984	5.1
125.09611	1.6
127.03927	8.8
131.08519	1.0
133.10147	11.2
135.11691	10.4
137.09662	1.3
137.13258	6.2
139.11163	1.3
141.12730	3.2
145.04961	11.4
145.10049	1.1
147.11684	7.8
149.13260	9.7
151.11115	1.0
151.14815	5.9
155.14320	2.6
161.13260	12.3
163.06020	22.5
163.14827	9.2
165.16440	7.0
167.14302	1.1
175.14868	7.7
177.16377	2.2
179.17921	6.2
184.07338	21.7
186.73299	0.9
189.16406	3.7
193.15901	1.1
203.17876	1.1
207.17586	1.4
217.19664	1.3
236.10294	0.9
241.55537	1.0
245.22658	58.3
246.23067	1.2
263.23706	100.0
264.24011	2.5
265.25293	3.4
273.10114	1.3
281.24701	3.5
337.27390	42.9
338.27917	1.8
355.28424	12.8
430.22977	2.6
499.32608	2.0
660.42151	1.9
696.45892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09296	0.5
53.62503	0.6
55.05430	0.7
56.48512	0.6
56.96460	6.8
56.96778	2.2
60.08080	0.8
61.02845	0.7
63.92201	0.5
65.40577	0.5
67.05386	2.1
69.03351	1.2
69.06976	0.9
70.06501	0.5
71.04901	0.6
71.95170	0.9
79.05385	1.4
81.03291	2.0
81.06933	3.5
83.04916	0.6
85.02769	1.6
86.09569	3.2
87.09985	0.5
91.03867	0.8
91.05340	2.5
93.06916	1.8
93.07445	0.7
95.04874	1.2
95.08517	1.0
97.02776	1.3
97.06425	1.0
98.21540	1.0
104.10632	1.3
105.06900	1.6
107.04864	0.8
107.08446	1.8
107.09094	0.7
109.02753	1.3
109.06441	0.9
109.10003	1.8
116.98508	0.7
117.06939	0.7
119.08481	1.0
120.43750	0.5
121.06367	0.6
122.05919	0.9
124.99865	2.3
127.03773	1.0
128.98537	1.0
133.09979	2.4
135.07953	0.6
135.11584	0.7
136.07491	0.6
137.05843	1.8
137.09488	1.1
141.01935	0.6
145.02740	1.1
145.10056	0.7
146.99651	2.6
147.04265	0.7
149.09547	0.6
152.06944	0.6
155.03706	0.8
166.08522	0.8
171.03192	0.6
175.07559	0.6
177.05350	2.3
179.02232	0.6
184.07339	10.1
185.04817	0.6
185.07516	1.7
189.04294	0.7
191.14186	0.6
195.06819	0.7
196.63409	0.6
199.06303	1.7
201.04152	0.6
203.05753	1.8
205.07344	1.2
211.06340	0.8
213.07974	4.3
217.07372	3.5
223.08434	1.3
225.07776	1.9
229.07474	4.1
231.09042	11.3
237.07903	0.8
239.09563	2.6
241.11107	2.9
243.09023	3.8
247.08549	4.1
251.09454	3.5
253.14258	1.4
254.10535	1.1
255.08980	5.6
257.10669	2.6
259.12128	4.5
261.10043	1.3
269.10614	26.4
271.12198	0.8
273.10150	5.4
277.07410	0.7
279.08942	1.8
280.09790	1.2
285.09961	0.8
287.08670	0.8
287.11658	13.3
292.12131	3.5
297.10175	3.1
298.10553	0.9
307.15808	0.6
310.13269	1.1
315.11224	1.5
316.12054	0.7
331.15817	8.1
349.16876	17.4
367.17932	100.0
368.18259	1.6
372.18436	1.9
385.18964	24.1
408.20572	15.5
408.25723	1.1
409.58481	0.6
516.30737	1.0
677.39838	1.3
695.40784	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01862	5.1
55.05267	1.4
55.05511	19.1
57.03188	1.5
57.03436	15.3
59.05000	1.7
61.02926	9.1
65.03931	2.1
67.05507	30.7
69.03429	9.2
69.07069	12.2
71.01347	1.4
71.05000	6.8
73.02911	2.7
77.65046	1.0
79.05493	36.4
81.03418	86.6
81.07056	42.5
82.07362	1.6
83.04976	21.0
83.08140	1.9
83.08618	32.5
85.02905	43.4
85.06540	2.3
86.09682	5.0
87.04462	1.5
89.03921	1.4
90.63403	1.3
91.03938	3.3
91.05479	43.4
93.07041	26.2
94.07378	2.0
95.04965	34.9
95.08603	16.9
97.02879	10.3
97.06536	7.3
97.10165	4.3
99.04424	2.8
99.08073	2.1
103.03915	1.2
105.07031	33.1
107.04945	11.3
107.08577	13.7
109.02853	2.4
109.06516	8.4
109.10149	6.5
111.04442	3.4
111.08102	12.1
113.06008	4.2
115.05431	3.1
117.03403	3.5
117.07034	3.1
118.03726	1.3
119.04921	1.4
119.08576	29.7
120.08925	1.5
121.06500	3.4
121.10139	13.3
123.08041	4.4
123.11712	2.9
124.99981	2.8
125.09629	3.6
127.03907	4.9
127.07552	1.4
129.07002	15.6
131.08568	16.9
133.06477	4.6
133.10133	17.4
135.08009	1.6
135.11676	1.7
137.05927	2.1
137.09616	3.4
142.07782	3.6
145.02835	10.1
145.04964	2.1
145.06572	1.3
145.10112	4.8
146.03175	3.1
147.04416	2.8
147.08047	4.7
147.10638	1.7
147.11693	20.3
149.05981	2.3
149.09630	9.1
149.13272	2.0
150.13623	1.2
151.11229	1.2
155.08554	2.1
157.10110	18.7
159.11678	3.3
161.13225	1.5
163.11191	2.6
165.12749	3.6
173.04398	1.1
175.11168	19.0
177.05458	20.2
177.08928	1.3
177.12755	1.5
178.05814	6.3
184.07323	14.3
193.12234	61.2
211.13293	99.2
229.52296	1.6
249.14862	1.6
253.14342	3.2
259.19852	1.2
262.87778	1.2
267.15924	44.7
269.17450	6.9
270.17752	4.8
275.19888	2.1
276.20300	2.7
285.16965	100.0
286.17300	2.7
320.06442	1.5
349.23813	2.0
350.24091	5.5
367.22565	2.5
368.25348	2.1
385.23566	5.7
396.20880	1.4
403.24875	1.6
433.25803	1.5
459.27420	29.8
477.28448	36.1
478.28479	1.3
495.29572	89.2
496.29779	1.6
512.29553	1.8
585.63525	1.3
611.51813	1.4
624.26135	1.2
706.07660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05027	0.7
58.06599	0.4
59.07390	0.3
60.07882	0.3
60.08166	5.6
67.05499	1.2
69.07043	0.4
71.07372	2.6
79.05483	0.7
81.03391	0.4
81.07045	0.8
83.04963	0.4
83.08585	0.4
85.02901	0.3
86.09705	29.5
91.05477	0.5
93.07041	0.7
95.04977	0.2
95.08604	0.6
98.98461	2.2
104.10748	2.0
105.07019	0.7
107.08553	0.4
109.10171	0.3
121.10117	0.4
125.00007	18.5
131.08572	0.4
135.11700	0.3
136.45694	0.3
147.11703	0.3
149.13477	0.3
163.11150	0.4
166.44530	0.2
184.07338	100.0
185.07690	0.4
227.12894	0.3
229.79262	0.3
280.08844	0.3
520.37213	1.0
530.39215	0.3
674.42413	0.3
692.45007	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	695.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16677	1.0
55.05521	1.0
57.03429	1.4
61.02932	2.9
63.78683	0.9
67.05494	2.9
67.81474	1.0
69.03446	2.9
69.07081	1.3
69.42123	9.1
70.06580	2.2
71.04994	2.0
79.05495	2.3
81.03419	4.2
81.07063	3.9
83.05010	1.3
85.02917	4.7
86.09714	7.5
89.15756	0.8
91.05492	4.3
93.07079	2.1
95.04986	1.7
95.08617	1.8
97.02909	3.2
97.06540	1.5
97.10187	1.6
100.11262	1.6
104.10799	1.1
105.07056	2.5
107.08620	2.9
108.08125	1.0
109.02886	2.4
109.06522	1.4
109.10183	1.6
111.04404	1.3
114.18808	0.9
116.98625	1.1
119.04985	1.7
119.08616	1.5
120.08173	1.1
122.06064	2.1
123.08088	1.4
125.00034	3.1
127.03955	3.4
129.05583	0.9
131.08571	1.3
133.10132	1.8
135.08080	1.1
136.07576	1.3
137.06035	3.3
144.08113	2.2
145.02829	1.7
145.05014	0.9
145.06502	1.4
145.10164	0.9
147.04414	8.4
157.10204	1.0
165.05489	1.5
165.09126	2.2
167.07121	2.8
177.05545	4.8
184.07339	21.8
185.07767	2.3
187.07605	1.2
217.12331	1.3
274.79498	1.0
359.07678	8.9
366.15485	1.1
389.12369	17.7
472.30435	1.6
490.31668	1.6
515.34967	1.4
533.36163	1.7
583.05371	0.9
677.40497	1.4
694.41333	1.9
694.52991	1.4
695.15881	100.0
695.41864	7.3
696.16718	1.5
720.39545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01865	0.6
55.05511	2.9
57.03440	2.3
57.07079	0.8
61.02923	4.5
66.42759	0.4
67.05172	0.7
67.05508	10.9
69.03432	4.0
69.07070	2.7
69.22555	0.5
70.12162	1.7
71.01354	0.4
71.04999	0.9
71.08654	0.4
73.02919	4.1
79.05505	3.6
81.03419	2.8
81.07059	5.1
83.05004	0.6
83.08626	2.2
85.02913	5.4
86.09708	1.4
87.04492	0.6
91.03963	4.5
91.05497	1.9
91.88657	0.4
93.07040	4.0
93.46756	0.4
95.04974	0.9
95.08613	4.4
97.02892	4.7
97.06558	0.7
97.10180	0.7
98.98477	1.8
99.04472	1.0
101.02384	2.0
103.03895	0.4
105.07062	1.8
107.04965	0.8
107.08584	2.5
109.02888	1.1
109.06560	0.6
109.10165	8.5
115.03953	0.5
117.07041	0.9
119.08581	2.0
121.10136	2.2
124.90695	0.4
125.00013	0.6
127.03935	2.0
131.08569	1.1
135.08093	0.4
135.11700	2.5
145.04945	0.5
145.10138	1.5
147.11700	0.7
149.13379	0.4
159.11646	0.7
163.11185	1.4
173.11761	3.0
184.07372	3.9
185.04263	0.5
195.09996	0.7
209.11697	0.5
227.12711	2.4
229.14415	1.1
243.08409	2.7
265.14462	0.4
335.26025	0.8
413.17825	9.2
501.35764	0.8
519.29309	4.2
519.36993	7.0
520.36908	0.7
529.38837	1.2
550.48969	0.5
691.40277	100.0
692.40643	7.1
696.33374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63502	0.2
53.03949	0.6
55.01866	0.7
55.05505	1.9
57.03442	2.1
57.07067	0.4
61.02930	5.1
65.03935	0.4
67.05508	10.2
69.03423	2.6
69.03733	0.3
69.07074	1.6
70.86490	0.3
70.86832	0.7
71.05003	0.9
73.02920	4.4
74.89886	0.3
79.05488	2.6
81.03423	2.7
81.07055	5.1
83.04998	0.7
83.08618	1.3
85.02903	5.4
85.06554	0.6
86.09707	0.6
87.04482	0.4
91.03968	3.7
91.05482	2.5
93.07046	3.6
94.82717	0.4
95.04951	0.4
95.08610	3.0
97.02893	5.3
97.06574	0.4
97.10195	0.7
98.98475	0.6
99.04465	1.0
101.02398	1.6
103.03975	0.5
105.07032	0.8
107.08603	1.9
109.02922	0.8
109.10154	8.1
111.04453	0.3
115.03932	0.7
116.71668	0.3
117.07050	0.6
119.08594	1.6
121.06542	0.3
121.10150	1.5
123.11737	0.4
127.03885	1.8
129.05412	0.3
131.08588	1.0
133.10159	0.5
135.11722	1.0
137.09666	0.3
140.59210	0.3
145.10161	1.0
155.10715	0.4
159.11717	0.6
163.11252	0.9
173.11734	2.4
173.13156	0.4
184.07314	2.0
185.04225	0.5
185.07753	0.3
186.44327	0.3
191.10593	0.3
195.10014	1.0
203.05272	0.6
209.11760	0.3
227.12872	0.8
229.14423	0.9
229.17902	0.3
243.08391	2.0
251.12672	0.4
283.15439	0.8
309.25626	0.3
335.25772	0.4
413.17816	10.3
413.23093	0.5
501.35687	0.4
519.29401	4.5
519.37054	2.4
529.39288	0.7
603.65118	0.3
691.40271	100.0
692.40833	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	691.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.1
51.02369	0.1
53.00310	0.1
53.03942	0.2
55.01867	0.2
55.05511	0.7
56.05841	0.1
57.03440	0.6
58.81610	0.1
59.04999	0.1
61.02919	0.3
62.01588	0.1
63.02393	0.5
65.03933	0.1
67.01852	0.1
67.05508	1.3
68.05820	0.1
69.03423	0.3
69.07083	0.6
70.60499	0.4
70.60853	0.2
71.04999	0.2
71.40204	0.1
73.02879	0.1
78.04712	0.2
79.05498	1.6
80.05846	0.2
81.03417	2.0
81.07057	1.5
82.03748	0.2
82.07378	0.3
83.04984	0.7
83.08618	0.8
84.05302	0.1
84.08961	0.1
84.68066	0.1
85.02898	1.1
85.06538	0.2
89.03914	6.9
90.04279	0.1
90.41357	0.1
91.03941	0.2
91.05484	1.6
92.05795	0.2
93.07041	1.8
94.07361	0.2
95.04975	1.2
95.08605	1.7
96.05284	0.1
96.08891	0.2
97.02911	0.5
97.06518	0.4
97.10137	0.2
99.04459	0.3
103.05471	0.3
105.03329	0.1
105.07028	1.0
106.04166	0.4
106.07365	0.2
107.04951	0.7
107.08590	1.4
108.08903	0.3
109.02884	0.8
109.06516	0.3
109.10143	0.4
111.04448	0.2
111.08089	0.5
117.03379	20.7
117.07007	0.5
118.03711	0.5
118.66949	0.1
119.04944	0.3
119.08594	1.0
120.08907	0.2
121.06522	0.6
121.10149	0.9
122.10480	0.2
123.08031	0.1
124.05219	0.3
125.09599	0.2
127.03937	0.4
129.07004	0.3
131.04869	0.1
131.08556	0.3
133.06541	0.1
133.10127	0.6
134.03650	1.5
134.10414	0.2
135.04428	1.6
135.08078	0.2
135.11694	1.9
136.11989	0.5
137.06000	0.2
137.09633	0.1
142.07767	0.2
145.02843	50.4
145.10075	1.0
146.03169	1.3
146.10449	0.5
147.04390	0.4
147.11650	0.5
148.12001	0.2
149.05978	7.3
149.09627	0.3
150.06311	0.2
157.10115	0.3
158.06015	0.7
158.10529	0.2
162.03203	0.2
163.03931	0.6
163.11179	2.5
164.11551	0.9
165.12663	0.2
175.11169	0.5
176.11499	0.3
177.05466	100.0
178.05811	2.5
181.12263	0.4
182.12523	0.2
184.07283	0.2
186.05502	3.4
187.05943	0.2
193.12250	1.2
194.12590	0.4
207.06612	0.2
207.08975	0.1
211.13275	1.6
212.13585	0.3
222.11169	0.1
227.12773	2.6
228.13101	0.9
229.14349	0.1
259.09711	0.2
267.15909	1.3
268.16226	0.6
275.20056	0.2
283.15381	2.6
284.15747	1.6
285.16943	2.4
286.17297	1.2
301.16006	0.1
303.08731	0.7
349.23737	0.9
365.16190	0.1
475.27182	0.7
476.27161	1.7
493.21274	0.2
493.28049	2.7
494.28351	5.0
691.34277	0.6
700.74536	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	691.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.1
51.02387	0.2
53.03935	0.2
55.01866	0.4
55.05510	0.5
57.03432	0.4
61.02926	0.7
63.02382	0.5
67.05505	1.2
69.03428	0.6
69.07075	0.6
69.20158	0.1
70.21217	0.5
71.04987	0.1
73.02905	0.3
77.03921	0.1
78.04723	0.4
79.05504	1.1
81.03421	0.9
81.07056	1.1
83.04976	0.3
83.08617	0.4
85.02896	1.1
85.06530	0.2
86.09699	0.3
89.03917	6.9
91.03960	0.6
91.05481	1.5
93.07055	1.2
95.04973	0.5
95.08606	0.8
97.02892	0.7
97.06541	0.6
97.10167	0.5
99.04474	0.2
102.06297	0.1
103.03919	0.1
103.05476	0.4
105.07036	0.8
106.04162	0.4
107.04955	0.6
107.08593	0.8
109.02885	1.5
109.06498	0.2
109.10152	0.8
111.04467	0.2
111.08017	0.1
117.03378	20.7
117.07001	0.3
118.03752	0.1
119.04959	0.2
119.08580	0.7
120.08140	0.2
121.06506	0.3
121.10133	0.4
123.08047	0.1
123.11731	0.1
124.05211	0.2
124.99982	0.1
125.09666	0.5
127.03909	0.7
129.05457	0.1
129.07031	0.1
131.04840	0.1
131.08560	0.3
133.10143	0.5
134.03621	1.3
135.04416	1.6
135.08018	0.2
135.11664	0.3
137.05956	0.2
137.09631	0.2
138.09148	0.1
143.08510	0.2
145.02844	49.9
145.10103	0.5
146.03189	0.4
147.04413	0.4
147.11667	0.3
149.05981	7.3
149.09570	0.4
157.10075	0.1
158.05956	0.5
159.11690	0.4
161.09567	0.2
162.03137	0.2
163.03894	0.7
163.07567	0.1
163.11201	0.3
166.08669	0.2
168.46791	0.1
171.10252	0.2
173.09572	0.1
173.11789	0.2
173.13217	0.2
177.05466	100.0
178.05804	0.6
179.14291	0.1
184.07330	0.7
186.05490	3.3
189.09300	0.1
189.11163	0.5
203.10687	0.1
227.12758	0.4
229.14285	0.7
245.41411	0.1
257.19061	0.3
259.09579	0.2
269.17407	0.2
275.20062	0.9
283.15430	0.2
293.20953	0.1
303.08646	1.1
312.00574	0.1
345.38339	0.1
349.19748	0.2
349.23727	2.1
367.24829	0.8
383.22263	0.1
391.24631	0.3
455.04199	0.1
475.26678	0.3
476.26883	0.2
493.27927	0.2
511.28653	0.4
601.26123	0.2
690.34448	0.1
691.34619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01858	1.3
55.05303	0.3
55.05515	3.8
57.03437	3.8
61.02908	1.0
65.03927	0.6
67.05166	0.5
67.05505	6.9
69.03416	1.3
69.07066	2.8
70.57819	1.3
71.04998	1.9
73.02915	0.7
79.05057	0.6
79.05490	10.2
81.03418	13.9
81.07059	9.2
82.03724	0.4
83.04975	3.9
83.08138	0.4
83.08617	6.7
85.02420	0.5
85.02907	6.5
85.06549	0.4
89.03913	7.3
91.03953	0.4
91.05477	8.0
93.06464	0.7
93.07043	12.7
95.04974	6.7
95.08046	0.6
95.08610	10.4
97.02880	2.1
97.06538	1.9
97.10139	0.9
99.04434	1.5
99.08073	0.4
103.05475	0.4
105.07028	5.6
106.04132	0.4
107.04957	3.8
107.08592	7.8
109.02889	2.4
109.06509	1.6
109.10159	2.1
111.04436	1.4
111.08076	2.6
113.05965	0.9
115.05424	0.5
117.03378	19.6
117.07007	2.7
118.26867	0.3
119.04951	1.0
119.08582	7.1
121.06516	2.3
121.10140	6.0
122.06046	0.6
123.08059	1.0
123.11716	0.7
125.06001	1.6
125.09655	0.3
127.03903	1.2
129.05504	0.4
129.07011	2.4
130.07791	0.4
131.08546	2.7
133.06514	0.7
133.10135	3.7
134.03665	1.9
135.04422	1.6
135.08070	0.9
135.11696	15.6
137.05975	0.5
137.09631	0.6
139.07552	0.5
142.07840	0.6
143.08559	0.5
145.02846	45.6
145.09027	0.6
145.10120	9.3
147.04362	0.9
147.08080	0.9
147.11681	3.9
149.05978	6.8
149.09612	1.1
153.12755	0.6
157.10114	3.5
157.28348	0.3
158.06053	0.4
163.03958	0.5
163.11183	19.9
165.12756	0.7
166.08676	0.4
173.09569	0.4
175.11198	3.4
176.11496	0.4
177.05469	100.0
181.12230	3.2
184.07306	0.8
186.05528	3.1
193.12234	8.9
209.11731	0.8
211.11313	0.8
211.13292	12.1
227.12784	23.1
267.15921	12.7
268.16196	0.5
283.15399	25.5
284.15829	0.5
285.16965	21.4
286.17270	0.8
303.08661	0.8
401.24408	0.3
456.64517	0.3
475.26926	14.4
476.27280	0.8
493.27982	43.4
494.28485	1.9
690.31580	2.7
691.34076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54752	0.6
56.05034	0.9
58.06599	0.9
63.50575	0.5
67.05473	0.5
68.05042	0.6
69.03414	0.9
70.02952	1.2
70.06602	1.1
71.58858	1.1
82.05341	1.8
83.05002	1.2
83.06124	2.0
84.04514	3.6
85.02915	1.9
86.06070	26.7
87.05608	1.7
94.05328	0.8
95.06087	5.4
96.04492	0.7
102.05535	2.9
107.06094	2.4
111.04470	0.8
113.07153	0.7
122.07150	31.2
123.07964	1.5
127.04095	0.6
127.05054	1.7
129.37653	0.6
130.06793	0.6
133.03961	0.5
133.07658	0.7
137.02393	0.5
137.05971	0.7
141.06633	1.2
147.04407	1.0
147.05513	0.6
149.10764	2.2
150.05511	1.0
150.11522	0.8
151.12346	2.1
152.07083	0.6
155.08253	0.9
157.09729	14.8
162.04254	0.6
163.03865	1.3
163.12314	3.9
169.06113	1.5
172.08765	0.8
173.09311	2.3
174.06648	0.6
176.11920	1.1
178.13399	71.5
179.13832	1.5
181.09712	0.9
184.06067	1.3
185.09238	6.6
188.11874	1.7
189.10236	1.5
190.09862	0.8
190.13472	0.9
201.08765	1.4
202.06169	2.0
204.11517	0.9
204.14906	3.1
208.39366	0.6
209.09238	1.6
228.15024	1.9
237.08759	2.5
238.08493	0.8
242.12929	0.7
245.19588	0.6
246.16023	10.9
246.18422	0.8
248.12924	1.5
256.14505	1.7
257.14096	2.3
258.12497	5.3
266.13855	0.7
274.15634	1.3
275.15091	2.2
283.10263	0.8
285.13483	1.1
286.11981	1.2
292.17795	1.2
299.15002	0.6
303.14603	1.7
314.16229	1.8
319.17740	1.2
332.17303	1.5
349.20013	1.7
371.15912	0.7
372.20407	1.2
396.60965	0.6
461.21738	1.0
489.21252	0.8
645.30444	1.1
646.33441	0.6
662.32587	6.3
672.31165	4.2
673.29541	3.8
690.32080	100.0
691.31787	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01867	0.4
55.05503	0.3
57.03429	0.6
64.44329	0.3
67.01865	8.5
67.05527	0.3
67.44459	0.3
69.03419	1.2
69.71440	0.4
69.71763	1.6
70.06587	0.4
71.01372	0.3
71.04990	2.1
79.05482	0.6
81.03413	5.4
81.07041	0.5
83.04971	0.4
85.02891	2.6
89.03911	2.6
91.05494	0.5
93.07045	0.3
95.04982	0.3
95.08595	0.5
97.02888	2.4
97.06512	0.5
99.03829	0.4
99.04454	7.2
101.02377	0.2
103.03935	0.7
105.07035	0.6
107.04955	1.1
107.08557	0.3
109.02873	10.3
111.04452	0.2
114.31622	0.2
117.03367	3.7
121.02888	0.6
127.03910	58.8
128.04228	0.9
135.04410	9.6
136.07562	0.8
137.05983	0.8
139.03862	0.6
144.82501	0.2
145.02840	9.1
145.04880	2.0
147.04413	0.4
151.03871	0.3
152.07025	0.3
161.06004	0.5
163.03896	100.0
164.04210	2.2
164.07053	1.0
169.04973	4.5
170.16206	0.2
177.05438	0.8
181.04959	0.9
184.07419	0.3
186.05487	0.3
187.06012	3.6
199.40520	0.3
229.05051	0.4
229.07060	6.9
244.15469	0.3
247.08073	0.3
271.06009	0.5
289.06995	18.3
290.07297	0.5
325.09012	1.3
331.07999	0.8
336.49750	0.2
367.10223	17.7
368.10510	0.7
385.29501	0.2
392.64847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.6
51.35306	2.8
53.03937	14.0
55.01876	5.2
55.05508	33.2
57.03426	13.2
57.07068	4.9
58.11316	3.5
65.03926	4.4
67.05503	88.4
69.03433	32.0
69.07070	20.7
71.04995	13.4
72.91424	2.9
79.05498	62.7
81.03417	97.1
81.07058	84.4
82.63223	2.9
83.04985	22.8
83.08609	25.3
83.43867	2.8
85.02906	18.0
85.06539	6.9
86.09714	3.8
86.71426	2.9
89.06043	3.9
91.04977	1.8
91.05482	63.6
93.07045	69.5
95.04971	33.7
95.08607	43.1
97.02906	21.6
97.06554	11.9
97.10150	6.4
99.04462	9.3
99.08124	3.6
105.07032	49.8
107.04994	8.1
107.08582	39.6
109.02901	16.4
109.06512	9.4
109.10162	18.8
109.46183	2.9
111.04457	14.1
111.08086	10.9
115.05468	4.2
117.07013	23.0
119.08577	34.2
121.10135	32.1
123.04468	4.4
123.11665	5.9
127.03920	14.6
128.06242	3.7
129.05511	5.4
129.06982	20.1
131.08577	29.0
133.06509	4.6
133.08606	3.9
133.10110	26.2
135.08096	5.1
135.11685	11.7
141.07021	5.7
142.07751	6.0
143.08566	15.0
145.06461	6.6
145.10138	25.7
147.08014	6.8
147.11658	29.5
149.09602	8.0
149.13235	8.8
153.09056	3.5
153.12752	3.7
155.08571	7.1
157.10155	20.8
158.80795	3.1
159.11722	14.5
161.09634	3.8
161.13258	9.4
163.11157	3.1
163.14830	3.6
165.12753	7.7
167.48885	3.4
169.10136	11.9
171.11662	11.4
173.04501	6.8
173.09589	4.7
173.13231	5.6
175.11182	14.0
183.11703	7.8
184.07362	16.1
185.13266	5.6
193.12236	36.2
195.11745	5.4
197.13229	3.9
199.14824	6.0
209.13335	4.0
211.13290	47.7
211.15041	6.2
211.73665	3.5
213.16371	3.4
215.14381	4.1
223.14856	3.4
224.87091	3.7
261.22180	5.7
267.15842	7.7
277.21777	5.3
285.16974	5.4
285.22336	3.7
335.25769	13.0
337.21317	3.5
351.23282	5.2
353.24280	3.5
355.17352	7.6
369.24136	9.8
387.25415	4.5
411.20264	5.0
435.32825	5.6
443.27609	3.9
461.28983	5.1
527.37323	45.8
528.37720	4.6
545.38300	14.3
635.39252	5.1
653.39667	5.7
671.41449	16.6
689.42462	100.0
690.42291	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	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01622	1.4
53.03944	5.9
55.01862	5.2
55.05513	24.1
57.03439	8.5
57.07091	2.9
59.05007	2.0
61.02924	7.9
65.03934	2.8
65.97914	1.2
67.05507	48.6
69.03429	21.6
69.07072	16.6
69.38326	11.8
71.01356	1.4
71.04979	7.1
73.02917	5.5
79.05492	33.7
81.03419	49.3
81.07059	62.9
83.04983	14.9
83.08628	10.2
84.24604	1.2
85.02904	13.8
85.06542	2.9
85.10156	1.2
86.09724	7.5
87.10043	1.3
89.06020	1.9
91.03947	5.0
91.05481	42.3
93.07043	42.3
94.07382	1.3
95.04958	9.4
95.08612	32.8
95.09232	1.7
97.02887	22.4
97.06538	5.5
97.10166	4.8
98.81513	1.2
98.98484	2.1
99.04463	7.3
99.08086	2.6
105.07036	40.5
107.04967	4.6
107.08604	25.4
109.02880	8.0
109.06506	6.7
109.10153	15.5
111.04472	3.7
111.08080	3.1
115.05462	2.5
117.07005	16.3
119.08595	26.6
121.06529	3.5
121.10143	22.8
123.04512	1.8
123.08074	4.4
123.11727	6.0
124.99983	6.4
125.09639	2.3
127.03903	10.5
128.06248	3.6
129.05508	6.4
129.07011	12.2
130.07806	1.5
131.08566	27.6
133.06491	2.7
133.10129	19.7
135.08075	2.9
135.11725	10.2
135.37173	1.2
141.06989	5.9
142.07884	1.8
143.08583	16.8
144.09306	1.3
145.06534	3.8
145.10114	22.4
145.47606	1.6
146.30582	1.4
147.08049	2.8
147.11693	20.9
149.09621	3.9
149.13239	8.0
153.07033	1.7
154.07782	2.3
155.08519	10.6
157.06548	2.0
157.10126	14.7
159.08057	2.1
159.11699	20.1
161.09651	2.1
161.13266	7.5
165.05496	1.3
165.06984	1.4
165.12801	4.1
167.08557	6.8
168.09322	2.0
169.10103	13.0
171.08147	2.3
171.11711	14.3
173.04462	9.1
173.09671	2.4
173.13269	11.4
175.11162	2.5
175.14819	3.8
177.12772	2.7
179.08571	2.2
180.09390	1.5
181.10115	7.9
182.10997	1.9
183.11684	11.0
184.07346	28.5
185.07698	4.2
185.09544	3.2
185.13271	10.9
187.11275	2.1
187.14795	4.2
189.12770	1.5
189.16475	1.4
193.10252	2.1
193.12344	2.0
195.11728	5.8
195.13864	3.9
197.13266	11.2
199.11340	1.4
199.14780	7.2
205.10300	1.5
207.11804	3.2
209.13329	5.3
211.14836	3.0
213.12904	2.5
213.16458	3.5
219.11876	2.6
221.13374	4.0
223.14891	3.8
225.16441	2.3
227.18103	1.9
235.14883	2.4
237.16452	2.6
241.19604	4.2
243.21173	2.1
249.16534	1.7
251.17876	1.7
253.15854	1.6
253.19391	1.6
257.19009	2.2
259.20621	8.1
261.22180	3.5
263.18152	1.5
267.16046	6.0
267.21057	1.4
269.17456	6.8
275.20114	1.5
283.20569	2.3
285.17108	3.5
301.22003	2.0
311.23703	2.0
315.23468	1.6
321.21997	2.1
323.23938	1.7
325.21826	2.3
327.23593	2.0
333.24484	7.5
335.25925	6.2
341.24734	2.2
343.22571	2.1
349.21371	1.9
351.23172	3.1
361.23700	1.4
367.22888	1.8
369.24115	2.4
385.23495	1.6
387.25543	1.8
411.20212	2.1
413.22025	3.5
417.31714	4.1
425.27460	1.9
435.32703	10.2
443.27713	1.7
451.31516	1.4
453.33951	4.4
471.34567	4.6
496.72961	1.4
501.34894	1.6
503.37338	2.1
509.36752	6.9
517.39441	2.3
525.35406	2.8
527.37317	100.0
528.37854	5.0
529.38739	3.3
539.37036	3.8
543.35535	1.9
545.38672	9.7
551.37457	1.8
561.36621	1.8
569.38464	3.0
581.38123	2.0
593.38757	3.0
611.40021	2.9
623.39191	1.7
635.39282	8.7
653.40283	9.3
671.41699	14.4
689.42621	55.0
690.43121	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	689.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.6
55.05457	0.8
57.03384	0.9
57.07001	1.3
60.08084	1.8
67.05424	2.5
69.03365	0.9
69.07008	1.1
71.04939	0.6
71.07339	0.6
71.08562	1.2
71.08901	0.4
73.06505	0.6
73.18131	0.5
79.05408	2.5
81.03334	2.2
81.06973	2.6
83.08543	0.6
85.10092	0.9
86.09703	6.2
87.09970	0.8
89.06035	3.2
91.05444	1.2
93.07051	2.6
95.04915	1.0
95.08526	1.6
97.02834	0.8
105.06944	1.7
107.08564	1.1
107.59712	0.4
109.10116	1.0
111.08051	0.5
116.70254	0.4
117.06929	0.8
119.08586	0.9
121.10076	1.2
123.11610	0.6
125.00017	4.2
129.06929	0.7
131.08434	0.7
133.08517	2.1
133.10028	1.2
135.11681	0.7
145.10039	0.9
147.11618	0.8
149.09521	0.8
155.08415	0.5
157.10013	1.0
159.11598	0.8
169.10094	0.5
171.11586	0.7
173.04543	0.7
177.11090	0.9
183.11629	0.6
184.07344	25.5
185.07570	1.9
229.75903	0.5
240.56229	0.4
335.25922	0.9
384.12131	2.3
385.13232	3.5
386.13956	1.0
397.12988	1.0
398.13840	5.8
399.14597	11.2
400.15564	17.0
401.15857	1.5
401.73932	0.5
410.14099	0.6
411.14392	1.4
412.15396	6.0
413.16171	13.8
414.16937	9.8
415.17264	0.6
416.14871	1.5
418.17670	1.9
424.15411	0.7
425.16467	0.9
426.17383	2.6
427.13245	2.3
427.18378	10.5
428.18652	14.3
429.19321	12.0
430.16589	0.7
437.16022	0.7
439.17819	0.8
440.14603	0.7
441.14893	6.7
442.16321	10.5
444.14432	1.5
445.19284	1.0
446.17096	1.4
453.15714	0.7
454.16788	0.9
455.17218	28.5
456.17868	14.9
457.13626	0.6
457.18665	1.5
458.15884	3.5
459.16510	5.0
460.17145	0.5
466.13315	0.6
467.12857	0.7
467.20898	0.5
469.14340	2.7
470.19568	1.4
471.17068	0.9
472.17413	1.5
473.18497	0.7
475.14969	0.5
481.15009	1.0
483.16647	24.5
484.16260	2.5
486.18860	1.4
487.16006	3.0
487.20523	1.8
488.16714	0.9
495.16724	1.5
496.17868	1.4
499.15936	5.0
500.16385	0.8
501.17770	0.9
509.14819	1.0
511.20868	2.2
513.14520	0.5
515.19269	1.8
516.19958	0.7
523.16003	2.4
527.15613	26.2
527.37225	4.1
528.15546	4.6
537.17731	1.4
538.18738	0.9
539.19336	9.6
540.19110	0.6
543.22479	15.6
544.22443	1.1
545.38348	0.6
555.18884	1.5
568.18335	0.7
569.20050	1.1
571.21912	100.0
572.22162	6.1
573.19647	0.8
574.24298	7.3
586.20581	1.6
587.21307	1.4
601.22949	7.2
602.23730	31.9
603.23993	1.7
613.22681	0.6
614.20264	0.9
615.20532	3.3
617.26312	2.3
629.22467	26.8
630.22900	17.3
631.23163	1.1
633.25629	1.7
643.24084	1.3
657.21967	57.9
658.22253	3.2
661.25281	5.6
671.41449	0.7
689.24548	22.0
689.41748	3.2
690.24988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65374	0.8
53.03944	1.9
55.05504	3.4
57.03443	1.9
66.97211	0.9
67.05503	12.7
69.03437	2.5
69.07061	3.9
71.04966	1.4
71.58764	1.3
75.04012	1.0
79.05489	9.5
81.03421	5.8
81.07048	8.7
83.05005	1.5
83.08615	3.2
85.02888	2.0
85.06530	1.3
86.09730	1.0
91.05470	7.5
91.44710	0.8
93.07046	9.8
95.04968	9.3
95.08603	6.6
97.02888	2.2
97.06548	1.4
97.10162	2.5
99.04475	1.2
103.03928	1.6
105.07024	5.8
107.04955	2.3
107.08598	5.8
109.02866	0.9
109.06544	1.8
109.10152	2.2
117.07024	3.3
119.08580	3.8
121.06506	2.1
121.10143	3.8
123.04442	4.1
123.11774	1.0
125.09677	1.3
129.06990	2.3
131.04909	1.3
131.08569	3.8
133.10132	2.0
135.08037	1.7
135.11667	2.2
143.08557	1.6
145.06403	1.8
145.10152	3.6
147.04420	1.5
147.08110	1.4
147.11688	2.2
149.13295	1.7
157.10170	1.4
159.11780	0.9
161.13234	1.2
163.11232	2.6
165.12766	0.8
171.11775	1.6
182.22095	1.0
184.07320	4.4
189.05464	1.3
205.12338	1.0
217.12250	0.9
223.13339	1.1
235.13303	5.8
239.13559	1.0
239.81233	0.8
259.13257	2.0
261.22299	1.7
267.15875	1.0
273.14880	2.8
273.72733	0.8
291.19418	1.1
301.14349	3.9
319.15366	1.9
334.17871	0.9
335.25858	4.3
375.18164	1.0
384.12381	1.3
385.13412	1.1
397.12610	1.0
397.24371	1.1
398.13641	4.2
399.14355	5.6
400.16461	5.7
401.16583	1.0
411.14899	1.6
412.15381	7.7
413.16055	10.6
414.16483	2.2
416.14905	2.5
418.17682	2.7
424.15582	1.0
426.16830	1.9
427.17929	11.3
428.18686	15.2
429.19321	1.6
430.16306	1.1
440.14377	1.2
441.15250	2.4
443.13461	2.0
445.19495	1.0
446.17084	1.6
453.15854	0.9
455.17169	42.5
456.17908	6.7
457.15076	2.9
458.16064	7.9
459.16608	7.8
469.14807	1.4
471.16653	3.6
472.17480	3.6
473.18405	1.5
480.14136	1.0
483.16635	32.3
484.16760	4.6
485.18484	1.6
486.18839	3.8
487.20572	6.8
495.16766	1.6
498.14700	1.0
500.16684	1.3
501.17410	2.1
509.18121	1.4
513.17853	1.2
515.19006	5.2
516.19623	2.5
523.15997	2.5
527.15344	7.4
537.17480	2.4
541.20502	1.3
555.18958	5.1
569.20056	2.5
569.38434	2.0
570.20697	4.6
574.24158	14.9
575.23450	1.2
587.21100	2.9
601.22961	8.3
602.23749	100.0
603.23993	7.0
629.22430	25.0
630.22821	4.6
633.25775	6.2
635.39282	2.1
643.23804	7.2
653.39868	1.6
657.21832	20.9
658.21356	1.5
661.24774	6.7
671.41516	1.5
689.24554	14.7
689.42609	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	688.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
55.05500	6.0
57.03444	3.9
57.07068	0.9
60.98097	0.8
61.02922	1.5
67.05505	9.0
69.03439	1.3
69.07070	4.3
69.32674	8.2
70.06596	1.2
71.04992	1.2
73.02909	1.2
78.39650	0.8
79.05493	14.7
81.03422	2.1
81.07056	11.1
83.05015	3.4
83.08618	5.5
85.02922	1.4
86.09702	1.0
91.03991	0.9
91.05476	5.8
93.07037	23.3
95.04960	5.6
95.08607	26.2
96.08144	0.7
97.02873	3.9
97.06538	3.0
97.10149	1.0
98.20692	1.5
99.04439	4.0
103.05460	1.0
105.07041	4.6
107.04945	6.0
107.08589	18.5
108.08157	0.7
108.29136	0.8
109.06493	1.6
109.10156	2.9
111.04407	1.0
111.08066	1.5
113.06032	1.4
117.07010	5.9
119.08579	7.3
120.08098	0.9
121.06525	4.6
121.10153	11.0
125.06006	2.7
130.07756	1.1
133.10147	3.2
135.08051	1.6
135.11691	39.0
137.06078	1.2
138.09183	1.8
139.07564	1.5
143.08604	0.9
145.10123	23.9
145.11272	1.4
146.10516	1.0
153.12704	0.9
155.08658	0.8
163.11185	55.0
164.11459	1.5
166.08693	1.6
177.05487	1.4
181.12222	9.2
184.07370	2.3
189.09344	1.0
198.73462	0.7
209.11835	1.3
227.12781	58.8
228.13245	0.9
283.15393	89.5
305.76892	0.8
460.14911	2.0
491.26410	100.0
492.17648	1.0
492.26746	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.9
57.03429	13.0
57.07074	9.2
61.02908	4.7
64.14949	4.4
64.39023	4.1
67.05508	83.2
69.07053	9.5
71.08622	4.0
71.57180	3.7
71.57687	4.3
76.28294	3.9
79.05491	17.4
81.03402	4.5
81.07057	31.9
83.08602	8.4
85.06536	8.0
85.98225	4.0
88.13058	5.3
91.05461	13.2
93.07035	23.6
95.08603	28.3
97.10073	4.4
105.07035	7.8
107.08594	15.5
109.10153	83.6
119.08591	15.8
121.10148	8.2
131.08513	4.4
133.10078	6.7
145.10101	6.6
147.11775	6.4
159.11716	4.7
165.52051	4.0
173.11745	18.5
229.14348	100.0
234.10667	4.3
243.20999	4.6
246.58905	4.2
261.22168	16.1
335.25790	71.3
348.12723	4.7
359.29089	5.2
489.35864	42.2
611.27100	5.0
686.41669	14.1
688.49677	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	688.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01874	2.8
56.96569	0.8
57.03428	2.9
57.68252	0.8
61.02920	2.9
65.03937	1.2
67.05519	1.2
69.03429	10.6
69.07064	1.6
70.06588	2.4
70.56669	0.8
70.72750	3.0
71.04990	2.1
78.04700	1.2
79.05500	5.5
81.03413	7.4
81.07044	1.9
83.01334	1.1
84.08140	1.3
85.02914	24.2
87.04476	1.2
91.03986	1.0
91.05483	11.8
93.03419	1.0
93.07047	3.6
95.04973	4.6
95.08617	1.6
97.02902	7.7
97.06543	7.6
98.97591	2.0
99.04453	2.5
101.02340	1.0
103.05482	2.7
105.07035	13.6
106.04141	1.0
107.04960	72.7
107.08617	1.8
108.05228	1.4
109.02881	4.0
109.06535	2.0
111.04457	0.9
115.05439	5.1
116.98630	0.9
117.07017	2.9
119.04946	6.0
119.08592	2.1
121.06509	23.1
121.10152	0.9
123.04449	14.7
123.08058	1.3
124.05190	1.4
127.03912	7.4
128.06233	1.2
129.07063	1.0
131.04945	3.8
131.08569	1.9
132.02052	1.1
132.05753	1.0
133.02841	5.6
133.06493	54.0
133.10173	1.2
134.05905	1.0
134.06874	1.2
135.04414	12.9
135.08078	1.8
136.05235	1.1
137.05980	21.3
139.03871	1.4
141.06947	1.1
143.04915	3.0
143.08614	1.3
144.05707	1.0
145.04991	2.6
145.06487	5.9
147.04407	8.1
147.08031	7.6
148.05127	1.2
148.07457	1.1
149.01276	1.2
149.02374	2.3
149.05971	8.9
151.03894	2.1
151.07526	4.3
152.07111	2.4
153.05464	2.9
153.06989	1.0
155.07072	1.8
157.06537	2.9
159.08040	6.6
161.04622	1.6
161.05981	34.1
162.06644	1.4
163.03944	1.9
163.07553	3.6
164.04764	4.4
164.07051	5.4
165.05487	10.7
165.06853	2.0
167.07047	69.8
168.07701	2.8
171.08063	1.8
173.05965	4.6
173.13318	1.2
175.07625	4.3
175.11327	1.3
175.14876	1.1
177.05464	2.7
177.07085	0.9
177.09099	3.0
178.08685	1.6
179.07048	26.6
179.08383	1.2
180.07816	33.0
181.04948	2.3
181.06416	1.8
181.08609	16.0
181.10168	1.3
183.08014	1.7
185.09610	5.1
187.07561	3.5
187.11159	4.5
189.09129	2.7
191.07085	5.0
191.08572	1.1
192.07643	1.0
193.08614	71.4
194.07295	2.0
194.08908	2.8
195.06453	1.6
195.08064	3.1
197.08038	1.8
199.07558	2.7
199.13316	1.2
201.09178	1.6
203.07077	1.1
203.10646	2.5
205.06796	1.4
205.08554	4.4
206.09404	1.0
207.06473	6.9
207.10089	5.5
209.08055	3.1
209.09688	2.5
211.07518	1.2
212.08215	1.0
213.09106	1.3
217.08588	2.1
219.08121	1.9
219.10164	1.9
221.06108	1.0
222.06732	1.7
223.07545	4.0
225.07571	3.9
227.10660	2.8
231.10178	6.8
233.11674	6.6
235.09680	3.0
236.08278	1.3
237.02737	1.1
237.09149	8.9
239.07034	1.8
240.07724	1.2
247.07741	0.9
250.12025	1.6
250.14317	7.4
251.07106	2.1
251.12695	1.2
255.10170	4.3
257.08246	1.2
259.13351	1.4
264.07709	1.2
264.15891	2.0
265.08578	5.9
267.06573	1.1
272.10214	1.4
282.08862	4.7
283.09622	4.6
285.11481	1.1
287.12808	2.8
297.11304	4.2
300.10025	1.2
301.10690	1.0
302.17346	1.4
307.13162	1.7
315.12253	29.5
316.12592	1.5
329.11649	0.9
330.13092	1.4
332.14923	100.0
333.15286	3.8
337.14145	1.9
339.15872	12.9
341.17459	2.8
355.15381	2.5
356.16238	1.1
357.16992	14.1
358.17514	2.1
373.16760	1.7
374.17026	6.4
458.18271	1.7
473.19717	1.5
476.19211	3.0
491.20737	2.4
494.20520	1.3
508.23260	4.0
509.21780	6.5
526.24463	47.3
527.24677	3.9
568.25580	0.9
652.27332	2.4
670.28967	5.6
688.30042	20.6
689.29504	2.1
701.46649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.166
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03897	1.2
55.01832	1.3
55.05470	0.6
55.91698	0.4
57.03378	1.3
61.02882	0.7
68.99738	0.4
69.03434	4.3
69.07046	0.5
70.06544	0.5
71.04993	7.5
71.08382	0.5
71.08715	0.5
71.27636	0.3
73.02873	1.1
79.05450	0.5
81.03419	4.5
81.07010	0.4
83.04961	0.8
85.02908	15.3
87.00828	2.9
87.04419	0.5
91.05418	1.1
93.07047	0.4
95.04958	0.5
95.08542	0.5
97.02911	3.0
97.06458	1.1
99.04442	2.0
105.01881	2.4
105.06987	0.9
107.04956	0.5
107.08551	0.3
109.02887	5.3
109.06512	0.6
109.10080	0.4
111.00799	0.3
111.04417	0.7
121.02820	1.5
121.06438	0.6
123.04359	0.5
127.03919	8.2
129.01791	0.6
129.05441	1.4
133.10031	0.5
137.05959	1.9
137.09547	0.4
138.06262	0.4
145.04980	3.4
145.10065	0.5
147.02800	0.5
147.04341	0.5
151.03888	0.6
153.01852	2.0
159.02904	2.9
159.11592	0.4
163.03825	0.4
165.01794	0.8
177.05426	0.9
180.06526	0.5
181.04903	0.9
182.65620	0.3
183.02876	0.5
203.06995	0.9
213.03831	0.7
213.05574	0.8
231.04939	1.5
233.11754	0.8
234.11909	0.5
241.04852	0.6
250.14357	1.1
287.05515	100.0
288.05792	4.0
329.06473	0.8
351.08310	0.4
355.08051	0.4
357.18845	0.6
421.24054	0.5
433.10995	0.6
519.24182	2.7
535.10895	1.6
681.29572	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	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01883	0.5
55.05511	12.5
57.03154	0.6
57.03439	11.8
57.07069	1.5
59.05006	3.6
61.02926	4.9
65.03945	2.7
67.05505	99.2
68.05838	1.4
69.03428	1.1
69.07067	7.6
70.18427	1.1
70.18823	1.2
71.04985	3.3
71.08627	0.6
73.02927	1.1
79.05492	17.5
81.03417	0.9
81.07059	36.3
83.04996	0.9
83.08617	9.3
85.02901	5.2
85.06544	2.6
91.03970	2.2
91.05486	11.6
93.07044	24.9
95.04970	2.2
95.08608	26.4
97.02901	2.1
97.06501	0.9
97.10155	2.3
99.08115	0.9
105.07027	7.8
105.87740	0.5
107.08604	14.1
109.06546	1.0
109.10156	89.4
110.10488	1.0
111.08075	3.5
113.06065	0.5
117.07009	3.6
119.08581	10.0
121.10149	11.6
123.08113	0.5
123.11725	3.6
125.09639	1.8
127.11158	0.7
129.25075	0.5
131.08578	5.2
133.10129	4.6
135.11699	7.6
137.09627	4.1
137.13283	1.0
145.04948	0.7
145.10101	3.2
147.11690	2.9
149.13268	4.5
153.12779	0.5
155.10654	5.1
159.11708	3.7
161.13295	2.8
163.14815	2.1
165.30696	0.4
171.11717	0.6
173.11769	24.7
173.13268	3.0
174.12057	0.6
177.16347	0.7
187.14771	1.7
189.11215	0.9
227.12802	4.7
229.14352	100.0
230.14655	3.1
233.55164	0.6
243.21080	4.8
259.20831	0.6
261.22159	15.4
262.22440	0.9
317.24765	3.1
335.25806	67.5
336.26144	3.4
342.39374	0.6
379.29745	1.1
397.31134	1.3
415.31857	1.5
471.34552	1.5
489.35767	38.9
490.36310	2.6
507.36835	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	680.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01862	2.1
55.05511	5.4
57.03435	1.4
57.07079	20.3
62.06062	0.9
67.05178	1.6
67.05507	17.1
68.94427	0.7
69.03429	1.9
69.07073	6.7
70.84934	2.0
71.04990	2.2
71.08631	14.1
74.60812	0.8
79.05492	12.1
81.03419	1.7
81.07059	19.6
83.04977	3.1
83.08634	7.4
85.06514	0.8
85.10191	7.2
86.09692	2.8
91.05489	4.5
93.07046	18.1
95.04958	5.2
95.08607	21.5
97.02894	0.9
97.06538	2.9
97.10165	2.6
98.98418	1.7
99.04478	1.7
105.07032	4.4
107.04952	7.7
107.08598	10.6
109.06499	0.9
109.10150	6.5
111.11723	1.2
117.07024	6.4
119.08575	4.7
121.06515	2.3
121.10139	13.4
123.11692	1.9
124.99966	1.8
125.05963	1.1
129.06975	1.2
130.07758	1.4
131.08531	2.3
135.08005	0.9
135.11702	18.9
139.07509	1.1
139.11214	2.2
143.62651	0.8
145.06526	1.3
145.10130	14.9
149.09630	0.8
155.08600	2.5
163.11183	26.3
173.09636	5.3
181.12254	4.5
184.07355	8.2
185.11812	1.4
191.10722	2.9
209.11720	1.7
227.12775	32.7
231.31244	0.9
234.14986	1.1
239.23822	1.5
245.13847	5.6
252.15839	3.8
255.52344	0.8
260.84232	0.8
265.14349	9.2
270.16983	2.1
271.17029	0.8
282.27991	3.2
283.15402	10.8
313.27335	11.6
313.30695	1.0
393.24091	1.1
454.29138	1.0
521.38403	100.0
522.38745	3.9
539.39441	63.7
540.40369	1.4
662.40131	4.2
680.43561	3.1
699.82550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.05511	18.4
57.03439	7.2
57.07074	11.0
61.02927	16.1
65.03933	1.4
67.05505	73.4
69.03420	3.5
69.07071	28.0
69.76070	4.5
71.04975	3.5
71.08631	6.3
73.02911	7.4
73.72510	0.8
79.05067	1.2
79.05493	19.6
81.03418	2.3
81.07056	100.0
83.04958	2.1
83.08144	1.5
83.08617	18.9
83.35914	1.0
85.02903	25.2
85.06530	3.0
85.10181	2.1
91.03961	17.1
91.04961	1.4
91.05479	17.5
93.06460	1.9
93.07040	27.3
95.04958	2.6
95.08607	78.7
97.02873	10.5
97.06521	8.0
97.10168	12.8
99.04455	1.6
99.08073	5.0
100.11229	0.9
105.07034	10.4
107.08599	18.9
109.06508	1.3
109.10150	36.6
111.08071	5.0
111.11704	4.5
113.09634	2.7
117.07003	1.2
119.08580	12.4
121.06549	1.0
121.10145	21.6
123.08072	1.4
123.11710	20.5
125.09618	2.4
125.13226	1.7
127.03950	7.1
127.11178	2.8
131.08565	1.9
133.10127	18.1
135.11702	11.9
137.09557	1.8
137.13269	8.0
139.11197	2.0
141.12741	3.9
145.04953	7.3
147.11688	13.6
149.13268	10.2
151.11107	1.8
151.14835	6.2
155.14326	3.5
159.11766	1.6
161.13254	14.6
163.06027	11.3
163.14828	12.8
165.12733	1.3
165.16402	9.2
167.14325	1.2
172.12714	0.9
175.14821	12.4
177.16365	3.0
179.14249	1.4
179.17926	7.6
181.15765	1.4
184.07249	1.1
189.16380	3.9
193.15881	1.6
203.17961	1.7
207.17441	1.3
245.22650	70.5
261.26804	1.0
263.23700	93.6
264.24042	1.6
265.25296	1.2
281.24805	1.7
337.27368	71.3
338.27692	1.9
355.28537	9.3
371.25565	1.3
460.11453	1.0
463.30170	1.3
481.31433	1.6
499.32779	7.0
552.12311	1.3
701.55035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.9
57.03441	5.6
61.02931	24.6
67.05508	55.4
69.03431	5.9
69.07065	16.7
70.09840	19.9
73.02925	8.9
79.05495	36.6
81.03426	8.4
81.07056	63.2
83.04983	7.9
83.08623	6.8
84.41046	3.4
85.02916	31.4
85.06544	6.9
90.57283	3.3
91.03966	25.4
91.05480	21.9
93.07044	46.6
95.04966	12.7
95.08614	53.5
97.02898	13.1
97.06512	7.2
105.07045	23.0
107.04957	5.9
107.08604	31.8
109.02898	4.9
109.06544	5.3
109.10175	31.6
117.07010	10.3
119.08606	11.9
121.06557	3.9
121.10154	34.6
123.08066	4.2
123.11721	11.0
124.83178	3.3
127.03923	14.1
131.04843	3.5
131.08548	18.9
133.10124	16.2
135.11699	25.7
137.05986	9.3
137.09584	4.4
137.13205	3.5
145.04996	12.3
145.10150	16.9
147.11684	11.5
147.25520	3.4
149.13261	20.2
151.11160	4.0
159.11685	14.8
161.13293	8.0
163.06006	19.7
163.14882	4.9
165.12776	5.1
173.13263	17.3
179.36359	3.5
184.07332	7.4
229.19513	36.6
247.20593	100.0
265.21744	5.1
321.24255	34.5
339.25317	63.9
356.37231	3.7
435.21863	8.6
453.22784	7.8
483.29605	7.0
626.00604	5.0
662.21625	4.3
680.33289	5.4
680.44464	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.6
55.13433	1.4
61.02876	1.6
67.05502	6.8
69.03432	5.3
69.07065	3.5
70.06573	2.1
71.04989	3.6
71.47038	1.6
71.59448	2.3
79.05497	6.4
81.03410	7.1
81.07065	5.1
81.71725	1.6
82.06573	1.7
83.04977	2.7
83.08601	3.8
85.02903	10.2
86.48647	1.5
91.05476	3.8
93.07037	9.8
94.06575	8.1
95.04971	4.7
95.07352	5.3
95.08601	4.6
96.08127	14.8
97.02892	5.0
97.06530	4.6
98.09655	1.7
99.04446	3.5
100.07629	1.9
100.11272	15.2
105.07053	4.6
106.06563	4.7
107.08609	4.3
108.04500	2.6
108.08117	15.0
109.02906	8.4
109.06560	1.7
109.10171	4.7
110.06071	3.5
110.09684	23.3
111.04430	4.4
111.08066	2.4
119.04906	2.2
119.08553	3.5
120.04475	4.8
120.08115	16.8
121.06536	2.9
121.10115	2.7
121.58751	1.8
122.06026	9.2
122.09734	1.6
122.91006	1.6
124.07594	15.1
125.09644	2.2
127.03951	9.3
131.08516	2.4
132.08109	1.8
133.10115	3.9
134.06010	2.5
134.09676	3.0
135.08003	2.1
135.11723	2.3
136.07587	20.3
137.05986	6.3
138.05504	2.5
138.09143	38.1
140.07059	3.3
142.12256	2.3
144.04413	1.9
145.02887	4.0
145.10124	2.1
146.06007	21.5
147.04413	2.8
148.07602	13.6
150.05446	2.8
150.09221	7.6
151.03900	1.6
152.07068	17.2
158.05962	1.9
162.05539	3.8
163.03911	2.8
163.11227	1.8
164.07097	9.7
165.05548	1.8
166.08643	85.8
172.03946	17.9
174.05583	1.7
176.07121	2.1
177.05504	8.8
178.04875	14.8
182.15431	6.2
187.06052	2.1
190.04973	17.3
192.06581	1.8
197.10802	1.9
198.11560	4.8
204.06590	28.2
205.32143	1.6
209.10684	2.8
209.16467	3.8
210.11661	4.3
210.14786	7.5
211.12392	11.4
215.20891	1.6
218.08168	3.4
223.12294	6.7
224.12906	1.7
225.10239	5.3
225.13962	2.1
226.11052	6.6
227.11774	6.2
235.08719	2.0
236.09430	3.9
237.10294	9.4
237.13924	2.4
238.11046	5.7
239.11864	14.5
240.12421	2.3
241.09850	2.0
241.13219	2.6
246.07564	1.7
247.27986	1.6
248.09413	2.2
249.10158	13.5
250.10876	8.6
251.11771	17.0
252.12614	5.0
253.09775	3.2
253.13426	7.1
255.11385	3.1
256.12057	2.6
257.12909	5.1
263.11792	30.7
264.08810	3.8
264.12607	7.3
265.09756	5.8
265.13382	16.8
266.10535	3.8
267.11237	11.1
269.12827	5.0
271.10672	2.6
271.14444	6.3
273.12375	3.9
275.11667	1.8
277.09793	3.5
278.10501	3.9
279.11304	29.8
280.11871	2.9
281.12845	16.1
282.09998	2.3
282.13538	1.7
283.10785	4.1
283.14163	1.7
284.11514	4.1
285.12375	17.3
287.14053	4.4
291.11255	24.6
292.12030	5.2
293.12802	22.7
295.10803	5.4
296.11609	5.1
297.12341	55.8
298.13086	4.8
299.13879	24.7
305.14960	4.2
307.10715	3.6
309.12305	33.1
310.13110	3.6
311.10251	4.3
311.13934	14.9
315.13388	28.8
319.10760	16.9
321.12128	8.1
323.10419	9.5
323.16205	3.6
325.11835	31.5
327.13486	5.2
329.15063	2.0
337.11832	95.5
338.12061	2.4
339.13303	5.3
341.11536	4.0
343.12964	6.9
351.13416	2.0
355.08414	2.8
355.12909	3.7
357.14551	10.0
369.14505	5.0
371.16122	2.2
373.14175	3.4
390.18295	2.9
392.19727	2.5
401.13449	8.7
416.15927	3.1
420.19147	1.8
430.17682	3.8
444.19141	3.6
446.21408	4.2
449.19315	3.6
450.20139	7.7
462.20306	10.4
464.21994	76.9
465.22089	3.6
472.18890	2.8
476.18036	6.9
478.20215	2.6
482.19064	3.2
490.19760	100.0
491.20135	7.3
494.19485	2.2
508.20633	17.4
514.21582	2.5
522.22363	70.3
523.22821	7.2
549.22021	2.0
587.25018	3.5
611.24908	16.0
629.26093	17.6
643.27905	2.3
647.27167	52.7
648.27502	3.2
679.28326	12.0
679.38586	15.0
679.51050	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	679.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
60.08173	0.3
61.02913	0.3
65.03953	0.2
67.05510	0.7
69.03428	0.7
69.07076	0.2
69.50246	0.6
69.50647	1.3
70.06601	0.2
71.04993	0.3
79.05476	0.3
80.60808	0.2
81.03416	1.5
81.07065	0.6
83.01105	0.7
83.05006	0.3
83.08621	0.3
85.02914	1.4
86.09704	0.8
91.05475	1.8
93.07066	0.5
95.08630	0.3
97.02888	1.5
97.06551	0.3
99.04456	0.6
100.11245	1.6
103.42564	0.2
105.07023	0.4
105.52143	0.2
107.04922	0.3
107.08610	0.2
109.02867	1.6
109.10158	0.4
111.04435	0.2
112.07677	0.2
119.04934	3.2
119.08604	0.6
120.08058	0.3
122.06004	0.3
125.00036	0.5
127.03940	1.7
128.07117	0.2
131.08548	0.3
133.10103	0.2
137.05992	0.6
137.09631	0.3
138.09146	0.3
145.04994	0.3
147.04410	15.4
148.04828	0.6
149.02179	0.3
163.03957	0.4
165.09093	2.2
166.08652	0.4
167.03159	3.7
167.07066	0.3
169.02631	2.5
169.04904	0.3
177.05518	0.4
181.04991	0.8
182.15479	0.5
184.07359	2.3
185.07672	0.3
187.03726	0.8
189.06754	0.2
189.08945	0.3
209.04231	2.8
209.16516	0.6
210.14911	0.7
227.05347	0.5
229.04796	0.3
234.85994	0.2
245.06334	0.4
251.05374	0.6
269.06412	0.6
287.07394	0.3
311.07263	1.4
329.08411	2.7
331.07910	1.7
371.09518	4.2
373.08939	7.0
391.09979	13.5
392.10632	0.4
433.11017	0.3
453.34753	0.6
484.02069	0.2
615.27716	0.2
619.16528	1.4
679.18420	100.0
680.00989	0.3
680.18591	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	679.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
54.31812	0.5
55.01866	0.6
55.05500	1.1
61.02928	1.3
65.03933	0.8
67.05495	2.1
69.03415	1.0
69.07082	0.8
69.79416	1.8
69.79831	1.4
70.06590	0.7
71.04990	0.7
74.95100	0.4
79.05479	1.1
81.03427	3.8
81.07072	1.2
83.04958	0.7
83.08606	0.7
84.08142	0.6
85.02902	2.3
85.06513	0.6
86.09696	1.1
91.03950	0.6
91.05491	3.0
93.07043	1.3
95.04978	1.1
95.08598	0.7
96.45506	0.5
97.02885	1.8
97.06478	0.6
98.21390	0.9
99.04462	0.9
100.11293	1.6
105.07005	1.7
107.04979	1.0
107.08582	1.0
108.56821	0.5
109.02883	3.7
109.06524	0.6
109.10221	0.9
119.04939	3.0
119.08595	1.1
120.08126	0.8
121.10191	0.5
122.32420	0.5
127.03923	3.1
131.08527	0.7
137.06020	1.8
138.09157	0.8
145.04901	0.8
147.04410	17.2
148.04767	1.1
165.09167	1.2
166.08665	0.7
167.03139	2.6
177.05554	1.4
182.15367	0.9
184.07341	3.4
187.03653	0.6
187.06020	0.6
209.04169	1.2
210.14871	0.8
237.07706	0.5
245.06258	1.0
251.05164	0.8
269.06494	0.7
281.09573	0.6
311.07300	3.9
329.08496	1.6
331.07867	7.4
371.09467	18.5
373.09045	3.4
373.13037	0.6
391.09946	8.3
415.10336	0.6
433.11084	5.7
462.19897	0.6
494.80438	0.6
527.23187	0.6
619.16431	2.1
678.40082	2.4
679.18439	100.0
679.50812	1.5
680.18726	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	679.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
57.72009	0.2
64.09147	0.3
64.34819	0.2
65.03937	0.3
65.80154	0.3
67.05495	0.4
69.03426	1.2
71.04991	0.6
71.59531	0.3
81.03414	2.1
81.07062	0.5
83.01093	0.6
83.04984	0.3
83.08601	0.3
85.02910	2.0
86.09692	0.3
91.03946	0.3
91.05485	1.4
93.07057	0.5
93.65486	0.2
95.04936	0.4
97.02896	1.2
97.06554	0.4
99.04461	0.7
100.11272	0.6
105.07001	0.4
107.04975	0.3
107.08596	0.4
109.02879	2.5
109.06474	0.3
109.10154	0.4
116.98613	0.3
119.04939	3.5
119.08590	0.3
122.06008	0.3
127.03941	1.4
129.07104	0.4
133.10226	0.3
135.04390	0.3
137.05968	0.6
137.09558	0.2
145.04974	0.9
145.06224	0.2
147.04410	16.6
148.04802	0.8
149.02174	0.3
149.09630	0.3
153.01613	0.3
159.08099	0.3
165.09149	1.0
169.02600	3.2
169.04895	1.2
177.05505	0.6
179.96246	0.3
181.04951	0.3
182.15445	0.3
182.32907	0.3
184.07384	0.9
191.03195	0.7
209.04204	8.1
210.14998	0.5
227.05328	0.5
227.98375	0.3
229.04764	0.8
245.06387	0.3
251.05334	1.1
269.06448	1.0
275.07175	0.4
287.07324	1.7
301.06882	0.6
355.07962	0.3
373.09207	0.8
391.09958	3.4
415.10034	2.7
433.11053	9.5
434.11124	0.3
460.52786	0.3
475.12079	0.3
619.16071	1.1
651.79724	0.3
678.40503	0.6
679.18420	100.0
680.18768	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01881	2.1
55.05513	12.7
57.03439	4.8
57.07082	4.6
61.02927	24.3
61.79912	0.9
65.03935	1.5
67.05505	65.1
69.03422	3.6
69.07072	11.9
70.16879	3.0
70.17289	1.9
71.04993	2.4
73.02921	9.1
75.04501	1.3
79.05495	39.9
81.03411	3.2
81.07059	74.5
83.04996	1.3
83.08612	6.0
83.37649	0.7
85.02905	27.2
85.06538	1.8
90.32166	0.9
91.03403	1.5
91.03958	28.3
91.05476	24.9
91.05901	0.9
93.07046	54.1
95.04974	4.4
95.08605	58.5
97.02889	13.3
97.06516	3.3
97.10177	4.6
99.04440	1.6
99.08107	3.1
99.09157	0.9
105.07032	20.1
107.04961	1.6
107.08595	36.3
109.02859	2.1
109.06538	2.7
109.10155	34.0
111.08089	3.3
113.09655	1.8
115.03917	1.3
117.07014	9.0
119.08572	15.9
121.06540	1.0
121.10143	34.4
123.08134	1.5
123.11718	17.4
125.09634	1.1
127.03915	9.9
131.08568	21.2
133.10130	14.7
135.11697	28.1
137.05994	1.1
137.09631	2.2
137.13254	6.8
139.11168	1.8
143.08534	1.1
145.04959	12.8
145.10138	17.9
147.11702	11.5
149.09639	1.3
149.13254	20.5
149.14362	1.8
151.11246	2.2
151.14867	2.3
153.12723	1.0
157.10124	1.3
159.11679	15.7
161.13261	12.2
163.06021	19.7
163.11243	1.8
163.14819	16.2
165.12758	3.2
173.13271	16.1
175.14865	5.0
177.12827	1.2
177.16431	5.3
179.14317	3.0
181.10052	0.9
183.11790	1.2
185.13229	0.9
187.14838	8.0
191.14294	1.9
201.16370	4.7
205.15918	1.1
215.17946	2.1
219.17555	1.2
233.22646	1.6
243.21080	34.5
261.22153	100.0
262.22452	1.4
263.23648	1.8
279.23090	2.7
322.75595	0.9
335.25790	17.2
338.67892	1.1
353.26859	40.7
412.08121	1.1
419.27768	1.1
461.28885	1.6
479.29727	1.4
497.30997	4.8
503.73877	0.9
617.22467	2.1
645.21869	1.5
677.37262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05513	0.8
57.03419	0.3
61.02924	0.4
67.05514	1.1
67.32893	0.3
69.03425	1.2
69.07081	0.7
69.16890	0.3
70.06583	0.6
70.92356	0.9
71.04987	0.4
79.00172	0.3
79.05466	0.7
81.03408	2.0
81.07053	1.2
83.01124	0.9
83.04988	0.5
83.08617	0.6
84.08153	0.5
85.02914	2.1
86.09711	0.8
91.05486	2.8
93.07034	1.2
95.04989	0.5
95.08607	0.9
97.02885	2.4
97.06516	0.8
99.04460	0.7
100.11257	1.2
105.07079	0.8
107.04986	0.7
107.08608	1.5
109.02900	2.3
109.06545	0.4
109.10168	0.6
111.04449	0.5
117.03386	0.4
119.04942	4.1
119.08582	0.5
121.06535	0.4
121.10136	0.7
123.04495	0.5
127.03919	2.5
133.06459	0.4
133.10138	0.6
135.11662	0.6
135.14908	0.4
137.06010	1.4
143.08578	0.4
145.02802	0.8
145.10199	0.5
147.04405	22.7
148.04741	0.5
157.10155	0.4
159.11642	0.5
163.03911	0.6
163.11156	0.5
165.09175	0.5
167.03188	6.4
169.02603	6.4
169.04886	0.4
170.03947	0.3
177.05443	1.9
182.15434	0.9
184.07370	2.2
187.03761	0.4
209.04179	1.9
209.16563	0.4
210.14902	1.2
229.04645	2.3
247.07684	1.4
253.19525	0.9
267.32285	0.4
329.08453	4.9
373.08905	9.8
391.10153	1.3
481.14017	0.4
504.82550	0.3
619.16241	0.5
679.18414	100.0
679.49493	2.8
680.18915	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	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
57.39120	0.4
67.05505	1.3
69.32965	3.2
69.33385	1.4
78.35799	0.4
79.05492	0.5
81.07089	0.8
81.73915	0.4
83.04971	0.4
85.02866	0.4
93.07045	0.8
95.08637	0.7
121.10190	0.6
131.71974	0.4
149.91179	0.4
155.86035	0.4
163.63838	0.5
184.07362	0.7
243.21942	0.5
333.25018	0.6
347.09445	1.2
515.31903	27.0
677.37183	100.0
678.37781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.3
57.03424	12.0
61.02922	13.8
67.05505	90.7
69.07055	25.5
71.04997	4.7
71.58945	5.7
73.02909	4.4
79.05488	43.9
80.27188	4.7
81.03403	6.9
81.07056	86.9
83.08614	10.7
85.02894	25.4
85.06504	4.5
86.09717	5.3
91.03963	23.0
91.05485	22.5
93.07043	61.3
95.04974	6.5
95.08605	72.7
97.02888	18.5
97.10151	8.0
105.07012	24.4
107.08588	37.3
108.00019	5.1
109.10143	43.1
111.08119	4.3
117.06994	7.6
119.08570	19.0
121.10152	32.7
123.11716	21.4
131.08565	20.2
133.10100	19.5
135.11658	29.4
137.13257	6.0
145.04958	9.9
145.10141	15.3
147.11656	16.8
149.13248	18.6
159.11681	13.2
161.13248	11.5
163.06032	11.4
163.14798	17.3
165.12779	5.1
173.13266	15.6
177.16386	6.5
184.07326	17.3
187.14818	13.3
193.05063	7.4
197.13264	4.2
201.16460	5.1
243.21094	31.9
256.26343	11.9
261.22153	100.0
279.23364	5.6
335.25815	36.0
353.26868	45.0
479.30624	5.9
497.31256	12.0
677.55273	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01883	1.6
55.05513	15.0
57.03428	7.1
57.07069	3.5
60.56931	1.5
61.02924	16.6
67.05507	72.5
67.05875	4.0
69.03420	3.9
69.07066	12.7
71.05007	2.3
71.59001	2.3
73.02914	5.1
75.04469	2.3
79.05493	37.5
79.32292	1.9
79.59766	1.7
81.03429	2.1
81.07059	87.1
83.08620	8.2
85.02901	19.2
85.06479	2.2
86.09705	2.0
91.03962	19.4
91.05478	22.7
92.94352	1.6
93.07047	51.6
95.04984	3.7
95.08609	65.8
97.02892	11.4
97.06528	4.0
97.10166	5.2
98.12740	2.0
99.04438	2.0
99.08106	2.9
105.07013	20.9
107.08588	34.2
109.06530	3.6
109.10153	39.5
111.08041	2.9
117.07030	10.3
119.08579	14.5
121.10149	33.4
123.11709	20.7
127.03906	7.2
131.08571	16.4
132.84149	2.0
132.85194	2.1
133.10136	13.7
135.11691	28.4
137.05957	2.4
137.09688	4.2
137.13239	8.0
139.11136	1.8
145.04936	9.1
145.10132	18.3
147.11687	15.4
149.13271	20.9
151.11189	2.8
151.14816	3.9
159.11678	16.2
161.13232	13.6
163.06039	14.3
163.14825	15.6
165.12714	2.6
173.13257	17.2
173.96432	1.8
175.14821	3.6
177.12711	2.1
177.16373	5.2
179.14369	2.6
184.07355	4.3
186.38533	1.6
187.14850	9.9
187.16275	1.7
199.11035	1.8
201.16328	3.4
233.22601	3.6
236.58070	1.7
243.21078	39.1
250.40224	1.9
261.22147	100.0
279.23209	6.5
335.25748	33.1
353.26852	39.7
369.30350	1.9
452.83026	1.9
497.31461	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	677.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59218	2.2
52.86391	2.5
55.01857	4.2
61.02909	2.9
67.05499	3.9
69.03423	5.8
69.07074	4.1
70.06575	3.7
70.65900	6.2
79.05489	8.0
81.03413	8.6
81.07055	7.3
82.06570	2.8
83.04981	4.7
85.02907	13.7
86.09702	5.8
89.03899	3.0
91.05494	12.0
93.07033	8.2
94.06566	5.0
95.04974	4.1
95.07360	3.8
96.08144	13.1
97.02886	6.8
97.06534	5.0
98.06059	2.4
99.04449	4.2
105.07025	7.5
107.04941	3.9
107.08616	5.0
108.04464	4.8
108.08125	12.8
109.02880	10.6
109.06519	2.5
110.09671	17.3
115.36657	2.2
116.05022	2.3
117.03364	4.4
117.07000	2.6
119.04946	3.0
120.04510	5.0
120.07307	2.1
120.08088	16.5
121.10148	3.9
122.06039	9.4
124.07621	15.3
124.99994	3.2
127.03921	14.6
127.04695	2.3
131.08508	2.9
133.10176	3.2
136.07581	17.4
137.06000	9.5
138.05487	8.8
138.09138	23.5
140.07056	2.5
143.08455	2.8
144.04411	3.8
145.02821	19.5
145.04872	4.9
145.10182	3.0
146.05991	9.8
147.04411	20.6
147.08028	2.9
147.11745	3.0
148.04776	5.1
148.07571	7.1
149.09610	4.7
151.03816	3.4
152.07060	14.5
160.03882	2.7
161.05963	3.0
162.05467	4.3
163.03914	4.8
164.07086	5.1
165.09232	3.4
166.04930	2.4
166.08636	29.5
172.03897	23.4
176.06967	3.8
177.05473	37.2
184.07376	10.5
185.10759	2.8
190.05029	20.8
204.06592	37.1
211.08784	3.4
213.10187	3.2
215.66158	2.6
225.10274	3.6
227.08090	2.8
236.09456	4.0
237.10281	7.2
239.11592	3.0
241.09810	3.0
243.11362	13.3
249.10283	3.5
253.09743	3.0
255.11349	2.8
255.60327	2.6
260.11182	2.4
264.08929	5.7
265.09628	4.6
267.11111	3.7
269.08987	4.6
271.10883	3.2
273.12225	4.9
279.11084	5.0
283.10782	6.1
285.12299	17.0
287.10220	8.3
288.10312	2.4
295.10626	5.3
297.12323	8.6
299.10306	6.6
301.11908	4.0
303.13403	26.7
304.51746	2.8
307.10825	3.3
311.10257	6.2
313.11829	3.8
323.10278	28.3
325.11786	22.8
327.13364	3.6
329.11124	4.2
330.12228	3.2
331.58813	2.4
339.09744	4.2
341.11435	4.9
343.13025	12.7
344.13852	3.8
357.14407	10.4
358.15524	6.0
371.12393	6.1
372.13458	5.5
386.14828	8.3
387.15601	3.8
400.16547	3.5
404.15964	5.9
414.14478	9.6
415.15491	18.4
416.15765	5.1
418.17874	4.4
420.15909	3.5
432.15646	14.5
438.16284	3.1
446.16769	4.0
456.15414	4.9
462.16464	11.7
474.16586	32.8
476.18082	6.1
492.17542	14.6
494.19501	13.8
506.19238	14.2
508.20514	7.4
524.20258	4.0
599.24731	5.5
609.22632	12.5
627.24493	100.0
628.24121	3.1
645.25250	6.1
659.27063	6.0
677.37305	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.01871	1.3
55.05502	2.0
61.02916	1.2
67.05480	2.5
69.03419	0.9
69.07056	1.0
69.73315	4.7
78.04694	2.4
79.05504	4.2
81.03441	1.8
81.07061	2.3
83.04955	1.0
83.08562	0.9
85.02917	1.4
86.09705	1.1
91.03963	0.9
91.05480	6.4
93.07040	2.9
95.04971	4.7
95.08608	1.1
97.02884	0.8
97.06539	1.2
98.21430	1.0
103.05477	3.6
105.07026	9.3
106.04150	1.3
107.04956	46.7
107.08607	1.3
109.06529	1.3
109.10193	0.8
113.87073	0.9
114.57687	0.7
115.05435	2.6
117.07044	3.6
119.04921	1.0
119.08542	2.2
121.06485	2.1
121.10093	0.8
122.03636	2.3
123.04416	7.2
124.05195	3.2
126.62959	0.7
128.06223	1.6
129.06969	1.0
131.04915	3.1
133.06493	20.1
133.10164	1.2
137.05975	22.2
141.07047	0.8
144.05722	0.9
145.02873	0.9
145.06519	5.4
146.07248	0.9
147.04385	0.8
147.08063	7.3
147.11754	1.0
149.05995	1.1
151.03940	1.4
152.04694	2.7
153.91020	0.8
157.06506	2.2
158.07173	0.8
159.04340	0.8
159.08054	1.3
161.05936	4.5
163.07558	3.3
165.05441	1.1
165.09108	0.9
167.07047	100.0
173.05980	3.4
174.06668	0.8
175.07562	2.6
177.05470	4.0
177.09099	1.6
179.07092	3.6
180.07843	2.8
181.04962	1.6
181.08655	1.6
183.08061	1.1
184.07358	1.5
185.09517	1.0
187.07576	1.9
189.09166	1.2
191.07066	1.6
191.08574	2.1
193.08586	7.8
199.07568	2.1
201.09056	1.1
202.07860	1.3
203.07036	3.6
203.08690	1.2
205.08621	5.8
206.09428	1.7
207.06525	8.9
207.10117	3.6
209.08209	1.8
217.08559	0.7
219.08047	2.3
219.10129	2.9
223.07565	1.3
223.09605	1.6
225.07623	1.6
229.06465	0.8
230.64648	0.7
231.08080	1.7
231.10220	5.1
233.08006	0.8
233.11562	0.9
235.09639	1.7
237.09096	2.0
241.06572	1.0
247.07477	13.3
253.14317	1.2
257.05847	3.6
259.07602	2.9
259.20541	0.9
275.07010	27.8
283.07794	0.9
287.07153	2.7
289.08609	2.0
301.08679	1.5
303.06516	7.9
305.08096	18.3
305.11508	1.5
311.07022	2.5
313.08615	3.7
317.08060	5.1
327.06497	0.9
329.08075	9.4
337.14413	3.3
339.16095	1.4
341.08075	1.0
342.09030	0.9
343.09561	3.0
351.25293	1.0
352.25641	1.0
355.15454	5.2
356.16211	2.0
357.16519	1.6
367.09613	2.1
381.11038	0.9
403.09781	1.7
404.10535	1.0
405.11124	0.9
419.09390	0.8
432.10013	1.7
433.10840	0.9
434.07361	1.0
445.10733	1.0
448.08704	0.8
449.09967	1.5
451.11374	1.1
453.13464	4.4
461.09805	1.7
463.07938	1.1
465.13858	1.3
467.14642	0.9
477.09698	2.5
479.14914	2.6
480.26984	1.1
481.12607	0.9
483.14401	35.6
491.10236	1.2
491.15952	1.9
492.11908	1.5
493.12610	6.0
495.14383	1.5
509.15985	20.5
535.17767	3.8
539.17310	0.9
579.73340	0.9
641.21686	44.4
659.22845	16.2
677.23749	13.6
677.34821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37606	0.8
53.03942	2.0
55.01849	0.9
58.90549	1.0
67.05502	1.7
69.03389	1.3
69.07067	1.6
71.59323	1.1
72.93919	0.8
73.00836	0.9
77.03925	1.0
78.04688	1.2
79.05476	5.0
81.07046	2.2
83.04984	1.0
83.97015	0.9
85.02901	1.7
86.09748	1.0
87.30772	0.9
89.03935	1.2
91.05482	12.2
93.07024	2.4
95.04974	6.2
95.08591	0.9
97.02891	1.0
97.06524	1.2
103.05447	4.7
105.07031	11.9
107.04955	96.6
107.08601	1.0
109.02885	1.5
109.06490	1.7
109.10175	1.4
115.05467	8.8
117.03380	1.3
117.07024	13.3
119.04926	3.9
119.08575	2.9
120.08096	0.9
121.06494	2.4
123.04430	2.4
124.05215	1.1
127.05440	1.8
128.06219	3.1
129.07004	2.6
131.04950	4.6
132.05722	1.2
133.02829	1.3
133.06490	52.5
133.10146	1.0
135.04396	1.1
136.05191	2.9
136.32849	0.8
137.05948	5.6
141.07033	2.1
143.04922	1.4
143.08542	1.8
144.05692	1.8
145.02838	3.1
145.06487	21.8
146.07150	1.6
147.04459	1.6
147.08034	20.1
149.02336	2.1
149.05969	3.4
151.03835	1.2
151.07542	3.8
153.06989	4.3
155.06100	4.2
156.05690	1.3
157.06479	5.5
159.04372	1.4
159.08080	1.9
160.05222	2.5
161.05983	5.9
162.06721	1.4
163.07527	1.5
164.04692	2.7
165.05479	6.0
165.07001	2.5
167.07037	34.5
169.06448	2.1
171.08035	4.7
172.05261	0.9
173.05997	13.8
173.09387	0.9
174.06870	2.0
174.68291	0.8
175.03958	1.3
175.07596	4.2
177.05466	10.2
177.09111	2.9
179.07031	20.6
180.07834	11.8
181.05006	1.9
181.06416	1.7
183.08057	3.3
184.07301	1.4
187.07568	1.4
189.09120	1.4
190.06294	1.8
191.07018	6.2
192.04173	1.1
192.07886	1.0
193.08554	7.0
199.07501	11.6
201.09164	1.9
203.07014	14.8
205.08589	17.3
206.09413	5.9
207.06532	29.0
207.10210	1.9
209.08089	5.7
211.07544	1.1
217.08617	3.7
219.08054	3.0
219.10214	1.8
221.09639	1.4
223.09561	2.0
225.07607	2.9
229.08611	1.5
230.09439	1.4
231.08168	2.0
231.10156	31.3
232.10953	1.2
233.08151	1.0
235.09630	5.6
243.10376	1.1
245.09619	1.0
247.07553	16.2
249.09084	1.1
249.11328	1.2
258.06778	3.9
259.07568	6.7
264.98767	1.0
271.07562	3.1
273.09146	1.5
274.06351	2.9
275.07022	100.0
276.07361	1.4
277.08478	1.9
287.06995	8.3
289.08530	1.4
301.08356	1.3
303.06494	8.8
305.08075	52.5
305.11292	1.8
315.06503	1.9
315.10245	0.9
317.08057	1.5
323.12625	2.7
329.08160	1.5
331.17630	1.4
332.17630	2.1
333.17395	2.7
337.14352	14.9
338.15228	2.0
348.82718	1.0
349.18494	1.9
350.18777	2.8
351.18460	4.0
355.15430	19.6
356.16083	2.7
357.16937	1.2
368.20117	1.4
369.19519	2.6
385.17233	1.2
483.14395	68.8
484.14713	2.3
491.14914	2.9
509.16003	33.9
510.16180	1.2
535.17285	3.2
535.98212	1.0
641.21606	13.7
659.22345	3.7
677.23029	2.0
677.40338	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	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03176	0.8
53.03935	1.8
55.01860	2.3
55.05517	8.0
55.34529	0.7
57.03441	6.6
57.07075	2.0
59.89061	0.6
61.02642	1.1
61.02929	17.1
65.03957	1.0
67.05510	23.3
69.03428	4.8
69.07076	7.7
71.01346	0.8
71.04971	2.6
71.08629	0.9
73.02919	7.3
75.04476	1.5
79.05499	29.4
79.05966	1.5
81.03432	5.0
81.07062	27.0
83.04981	2.6
83.08636	5.7
85.02914	19.1
85.06535	3.0
87.04486	1.0
91.03960	13.3
91.05485	28.7
93.07046	39.7
94.07339	0.8
95.04416	0.8
95.04977	4.7
95.08611	19.6
95.53732	0.8
97.02899	9.2
97.06520	3.1
97.10163	1.9
98.20771	1.6
99.04460	1.4
99.08080	1.9
103.03986	0.9
105.07035	30.5
106.07423	1.0
107.04959	1.6
107.08597	24.6
109.02846	2.1
109.06523	3.0
109.10168	9.4
109.10853	1.4
111.04395	0.8
111.08087	1.4
115.03955	1.2
115.05473	0.8
117.07018	10.5
119.08590	27.9
121.06512	2.1
121.10142	21.7
123.04406	1.6
123.08082	1.9
123.11718	2.3
124.07603	1.4
125.09621	1.3
127.03898	5.6
128.06232	1.4
129.05540	0.9
129.07019	8.1
131.08585	14.6
133.06575	1.4
133.10136	24.1
135.08058	2.0
135.11707	18.9
137.06010	1.6
137.09628	1.7
141.06921	1.6
143.08559	9.5
145.04990	4.4
145.06508	0.8
145.10117	13.7
146.10446	0.9
147.08035	2.6
147.11696	22.8
149.09595	2.3
149.13271	11.6
151.11159	0.7
153.09073	0.8
155.08575	3.2
157.10126	8.3
159.08073	1.0
159.11705	11.9
161.09631	2.1
161.13280	17.3
163.06030	6.6
163.07477	1.4
163.11197	1.5
163.14832	4.4
167.08527	1.1
169.10162	3.1
171.08182	1.3
171.11693	11.0
173.13272	8.8
174.13770	0.9
175.11217	2.4
175.14819	9.3
177.05455	1.0
177.12732	1.8
181.10121	1.8
183.08090	0.9
183.11723	2.2
184.07423	1.2
185.09660	1.8
185.13287	8.6
187.11223	1.4
187.14839	2.0
189.12801	1.7
189.16345	1.3
193.10172	1.0
195.11761	1.0
195.13725	0.7
197.09695	0.9
197.13263	1.7
199.14853	4.3
203.14304	1.2
207.11717	0.9
207.13712	1.1
209.09662	1.0
211.14813	1.0
213.16393	2.7
215.17847	1.2
217.15976	1.5
217.19585	2.1
231.17470	2.1
231.21104	4.7
239.18021	1.1
241.19508	14.5
243.21150	0.8
255.20984	0.7
257.19092	1.2
259.20587	44.4
260.20874	1.1
261.22177	0.9
269.19022	0.8
271.20587	2.3
277.21729	5.9
301.21539	1.2
311.73929	0.9
313.21991	1.2
321.21964	1.0
325.21570	1.0
329.21597	1.2
333.24265	9.1
343.22565	1.2
345.24469	0.9
349.23718	3.0
351.25317	100.0
352.25638	4.1
363.25171	3.8
367.22787	3.9
375.25397	4.6
385.23666	2.6
387.25314	2.1
393.26453	1.3
399.25323	1.2
403.24927	2.0
417.26230	3.9
421.25839	1.2
429.26462	3.0
435.27942	1.2
441.26434	10.6
459.27402	9.6
477.28506	8.6
478.28363	1.1
495.29572	13.3
513.30774	1.4
621.33038	0.9
675.37506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
55.05516	3.5
56.96563	3.3
57.03428	3.8
57.62309	2.8
61.02919	4.3
67.05502	12.0
69.03444	4.8
69.07059	3.2
70.11369	9.1
71.04997	3.0
79.05495	7.3
81.03403	9.5
81.07044	10.8
82.55573	2.4
85.02914	11.7
86.09688	3.1
91.05481	7.3
93.07042	9.2
94.06568	10.4
95.04967	4.0
95.07323	4.8
95.08596	8.7
96.08144	7.9
97.02892	9.2
97.06522	4.7
98.97620	2.5
99.04491	3.0
105.07012	5.0
105.27798	2.6
107.08592	7.5
108.08113	10.8
109.02894	13.2
109.06507	2.6
109.10149	6.1
110.09679	16.7
114.87028	2.5
116.98651	4.3
117.07040	2.8
119.04954	4.1
119.08550	4.1
120.04479	5.0
120.08092	11.6
121.06488	2.7
121.10112	5.2
122.06030	8.6
123.04469	2.5
124.07627	5.0
125.09614	2.9
127.03912	11.9
134.06017	2.7
134.99698	4.4
136.07584	18.1
137.05951	4.6
138.09135	26.1
139.33087	2.6
144.04424	5.6
145.02873	2.6
145.04886	3.4
147.04361	12.9
148.07570	4.5
149.09671	3.4
150.09120	3.7
152.07069	4.6
154.83044	2.5
162.05513	7.7
163.03871	6.3
163.11189	3.1
164.07040	3.3
166.08647	27.0
172.03993	13.9
173.11823	3.3
177.05437	9.8
177.09157	2.2
182.09700	3.0
184.07358	5.1
187.06075	2.5
190.04962	18.3
204.06549	25.6
219.01743	2.9
223.08826	3.3
224.09303	2.5
225.10283	9.5
226.10890	4.2
227.11638	14.8
237.10272	9.6
238.11157	3.8
239.11848	4.5
241.09705	7.6
249.10260	5.1
251.08167	8.2
251.11874	8.4
252.12613	2.8
253.09734	9.0
254.10486	2.9
263.11768	5.5
265.09723	12.4
266.10483	3.3
267.11227	14.5
269.12863	14.0
271.10764	13.3
273.12411	4.3
277.09601	4.0
278.10516	2.9
279.08136	3.1
279.11230	12.0
281.09232	2.6
281.12738	4.3
283.10733	9.1
284.11575	5.3
285.12396	6.9
287.13898	13.7
289.09726	4.9
291.11191	3.1
293.09161	3.4
293.12628	3.6
294.09985	5.7
295.10681	4.9
296.11401	3.4
297.12286	7.3
299.10410	4.2
299.13953	5.0
300.11066	4.6
307.10764	3.0
309.12393	3.9
311.10278	6.0
311.13947	2.9
312.11060	4.6
314.12759	7.3
315.13412	8.2
323.10181	6.5
325.11871	18.4
326.12546	3.5
327.13400	14.3
328.10693	3.0
330.16098	3.4
335.10205	9.0
339.13367	44.8
340.14346	2.9
342.12387	3.9
343.12927	8.0
354.12195	4.3
355.12967	14.9
357.14401	8.3
367.12857	29.0
386.19009	3.5
390.18155	3.5
398.15131	12.2
399.15790	18.2
404.16312	3.8
412.16504	4.3
413.17685	8.8
414.17886	4.9
416.16068	12.1
420.19275	5.8
430.17749	5.3
440.16220	4.0
446.17035	11.8
458.17120	26.9
460.18591	3.7
465.18463	3.0
478.19666	3.7
479.20233	2.9
480.21356	13.0
488.17999	7.4
490.19467	6.4
492.21201	4.0
520.20776	96.2
521.21484	18.1
538.21661	4.7
552.23419	54.0
553.24329	16.3
585.28729	28.0
593.24164	5.3
611.24988	100.0
612.25458	3.8
626.24591	5.6
643.27197	5.7
675.31598	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03046	0.3
55.05453	0.4
57.15746	0.3
59.72040	0.3
61.02888	0.6
67.05466	0.7
69.03381	0.5
69.44135	0.3
69.44536	2.6
79.05446	0.5
81.03357	0.3
81.07022	0.6
85.02841	0.5
91.05420	0.8
93.06992	0.3
95.04947	0.4
95.08553	0.5
97.02841	0.6
97.06490	0.3
98.20761	0.7
105.06953	0.3
107.08566	0.3
109.10114	0.3
119.08580	0.5
122.20999	0.3
122.99944	0.3
131.08502	0.4
133.10069	0.3
137.05934	0.5
145.10078	0.5
147.04300	0.4
151.27174	0.3
184.07324	0.3
231.12599	0.3
347.46405	0.3
351.25024	0.4
445.19165	0.3
453.15701	0.5
454.16550	1.2
455.13382	0.9
456.14005	0.5
467.12534	0.4
467.17902	0.7
468.13733	2.1
469.14789	7.8
470.15463	1.7
471.16486	0.8
472.17923	0.4
481.14481	1.8
482.15869	9.9
483.16611	11.5
484.17377	2.9
485.18100	0.5
487.16086	0.6
495.16733	1.0
496.17496	6.4
497.18237	42.2
498.18768	7.3
499.19791	0.8
500.17270	0.5
501.17487	0.7
509.14465	0.4
510.18854	2.2
511.19943	5.8
512.20422	2.2
515.19427	3.1
516.19312	0.4
523.18036	0.6
527.16174	0.4
528.16217	2.0
529.16821	0.4
537.19574	0.3
538.20435	1.5
539.20129	1.0
541.17041	1.2
542.17847	1.8
543.18073	0.7
555.18439	1.6
556.19495	4.2
557.20251	3.7
558.20923	0.6
569.20447	0.6
571.22656	0.4
575.21429	0.5
583.21863	0.4
613.23450	0.4
616.22083	1.3
625.23309	0.4
629.22461	0.9
630.23224	0.7
643.13904	0.6
643.24017	7.6
644.24664	8.2
645.24994	1.4
657.25623	7.3
658.25989	0.8
660.24780	0.4
675.26611	100.0
676.26831	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	675.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05391	1.5
55.05624	1.3
57.03315	1.3
57.03558	1.6
57.06905	3.0
57.07229	3.9
58.07280	1.0
58.07535	1.1
61.02792	1.7
61.03069	1.1
67.05324	2.4
67.05717	2.0
69.03276	0.8
69.06911	1.6
70.09448	1.6
70.09844	1.7
71.08437	2.6
71.08879	1.9
72.08827	0.7
72.85509	0.8
79.05346	1.0
81.03226	1.0
81.06841	2.9
81.07365	1.7
82.07249	0.8
82.72412	0.7
83.08429	2.0
83.08878	1.3
85.02715	1.8
85.09991	1.5
86.10343	1.1
86.10787	0.7
91.03728	2.4
91.05267	1.7
91.05791	0.9
93.06851	1.7
95.08366	3.2
95.09010	1.6
96.00121	0.8
97.02701	1.7
97.09991	0.8
98.21416	1.2
98.97424	1.0
105.06837	1.7
105.07442	0.9
107.08441	1.0
108.53445	0.7
109.02650	0.8
109.09921	2.4
109.10584	1.1
117.06778	1.0
118.02430	0.8
119.08408	1.4
119.09138	0.7
121.09863	0.8
127.03765	1.0
131.08379	0.8
133.09888	0.9
133.48727	0.8
145.04715	0.9
145.09891	1.1
147.52989	0.7
149.00908	3.6
149.02142	1.3
155.46356	0.8
156.03316	6.1
156.53563	1.7
158.99419	0.8
163.05753	1.0
167.02098	1.1
167.54118	2.6
177.00510	0.8
184.07042	2.3
185.79991	0.8
228.05516	1.2
239.23361	2.2
240.23723	2.4
243.98680	0.8
259.20160	1.2
266.14359	1.4
271.08792	0.7
293.05414	0.9
311.06500	0.8
313.27365	7.3
314.27637	8.5
315.28094	5.6
316.28122	1.0
331.28284	2.1
332.28528	2.4
333.28775	2.1
334.28897	1.1
347.17239	10.6
347.67429	9.6
348.17355	2.2
370.10718	1.6
384.11929	3.6
385.13016	12.4
386.13452	4.3
397.13055	1.3
398.13821	6.2
399.14542	20.1
400.15332	55.7
401.15915	4.5
411.14359	2.5
412.15192	7.3
413.16211	16.3
414.16870	19.9
415.17657	3.5
416.14859	0.9
418.17099	1.0
425.16318	1.5
426.16943	1.7
427.18225	9.1
428.18640	15.0
429.19257	47.5
430.12439	1.5
430.19452	2.0
437.15540	0.9
439.17517	1.5
440.14590	0.8
441.15475	3.2
442.16025	5.7
443.12930	4.6
444.14233	12.0
445.14444	1.0
447.20480	2.1
454.16010	0.9
455.17102	17.4
456.17905	7.0
457.14624	3.0
457.19189	2.2
458.15497	6.9
459.16635	4.7
467.13065	0.9
469.18997	1.2
470.15265	1.0
470.21545	1.1
471.16922	2.2
472.17645	3.6
473.18262	21.2
474.18549	1.5
480.14145	0.9
481.14380	1.3
482.15341	1.1
483.16507	12.3
484.21854	1.0
487.16052	3.8
488.17108	1.3
491.19070	1.6
496.16891	0.9
499.16281	2.6
500.16422	1.1
501.17334	11.4
502.18280	3.4
510.14642	1.2
511.19751	3.1
513.36127	1.4
514.20367	1.0
516.23737	10.8
523.16162	2.2
527.15112	6.8
539.19208	12.0
540.19415	6.3
543.22412	12.3
544.23248	35.8
545.23260	2.1
555.18756	3.2
559.22144	1.0
560.22791	13.9
569.21014	1.1
570.20392	1.7
571.21918	58.3
572.22180	13.4
573.20453	4.0
575.25183	4.3
585.23511	1.4
587.21484	6.2
588.22186	100.0
589.22644	4.0
593.84027	4.9
594.34088	1.4
601.22766	3.0
603.24683	5.9
613.23981	0.9
614.20374	1.0
615.21027	8.7
616.21344	5.7
619.24084	5.7
629.22418	17.5
631.24048	11.8
646.23590	1.1
647.23364	8.7
657.21942	23.4
658.22443	1.1
674.41528	2.4
674.86591	4.8
675.23132	24.4
675.35822	2.6
675.42792	2.2
676.23651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.05021	0.6
58.06610	0.5
60.07881	0.3
60.08162	5.3
67.05508	1.6
69.07051	0.3
71.07378	2.2
71.58809	0.3
79.05491	0.6
81.07067	1.3
86.09708	27.5
91.05453	0.5
93.07027	0.8
95.08620	1.3
98.98465	2.2
101.78883	0.3
104.10728	2.1
105.07043	0.5
106.07391	0.3
107.08573	0.5
109.06490	0.3
109.10130	0.5
121.10138	0.5
125.00008	17.2
127.03999	0.3
131.08533	0.4
133.10114	0.5
184.07344	100.0
185.07814	0.4
191.59021	0.3
215.12810	0.4
215.98044	0.3
284.33405	0.3
303.19583	0.3
533.38562	0.8
674.43921	8.1
675.44171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.3
56.05006	0.4
58.06598	0.4
60.08164	5.4
67.05479	0.9
69.32303	2.1
69.32709	0.4
71.07379	2.6
75.97541	0.2
79.05480	0.5
79.63898	0.2
81.07017	0.7
86.09707	27.3
91.05467	0.5
93.07040	0.3
95.08575	0.5
98.21469	0.4
98.98466	2.1
104.10737	2.3
105.07016	0.3
107.08584	0.4
109.10155	0.6
119.08523	0.3
125.00005	17.6
143.01013	0.2
156.90051	0.2
184.07341	100.0
185.07666	0.6
216.06192	0.2
217.78462	0.2
231.16493	0.3
288.05710	0.3
396.35062	0.3
674.43884	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	674.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
55.05516	6.4
57.03421	0.9
57.07079	31.4
59.05006	1.4
60.08148	3.8
67.05510	5.4
69.07051	3.2
71.07373	1.9
71.08637	25.9
71.60172	1.3
73.02889	1.7
73.06561	9.2
79.05505	4.5
81.03412	1.9
81.07057	5.6
83.08620	4.4
85.10187	21.7
86.09711	12.8
87.04477	9.7
87.10029	3.3
89.06037	100.0
91.05470	2.8
91.07619	1.0
93.07045	3.5
95.04984	1.5
95.08603	4.1
97.02892	1.1
97.06525	1.1
97.10174	5.0
98.98436	1.6
99.11745	4.3
105.07039	2.2
105.73755	0.9
107.07087	4.7
107.08607	2.3
109.10146	1.7
113.13299	1.5
117.07004	1.7
117.09141	8.1
119.08601	2.1
121.10139	1.4
125.00005	9.6
125.09595	1.4
130.08665	5.4
131.07043	2.8
131.08586	1.7
133.08609	52.2
133.10138	1.3
135.11708	0.9
143.08548	1.0
145.10190	1.3
155.17940	3.6
161.11726	3.7
166.80008	0.9
169.10059	1.1
175.09619	2.3
177.11241	26.1
184.07352	41.2
184.09013	2.0
184.86198	0.8
185.07686	10.9
185.13278	1.2
186.07764	5.5
199.20604	4.2
217.14368	5.2
221.13882	4.9
239.14925	2.2
240.23260	2.0
243.21213	1.1
243.23230	9.8
265.16510	1.0
283.17480	2.1
287.25839	7.2
327.20026	0.9
335.25952	5.6
403.32016	1.1
459.27826	1.0
477.35486	3.5
503.30417	3.8
503.37335	1.7
513.36139	4.2
657.48126	7.8
674.41754	2.8
674.50385	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	672.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80008	0.1
55.05492	0.2
56.05031	0.5
58.06616	0.5
60.08163	6.0
67.05505	1.2
69.07075	0.2
70.77464	0.5
71.06982	0.2
71.07371	2.5
79.05494	0.4
81.03378	0.2
81.07059	0.5
83.08610	0.2
86.09705	29.7
87.10046	0.4
91.05482	0.6
91.20243	0.2
93.07030	0.6
95.08595	0.6
98.40466	0.1
98.98460	2.5
101.38011	0.1
104.10744	2.1
104.98997	0.1
105.07050	0.2
107.08614	0.3
109.06506	0.1
109.10170	0.7
114.95720	0.2
116.74033	0.2
117.07045	0.1
119.08551	0.3
121.10157	0.2
125.00005	19.5
133.10112	0.3
143.01083	0.4
145.10185	0.1
152.97173	0.2
166.02658	0.3
184.07339	100.0
185.07686	0.8
262.22531	0.1
531.36945	0.5
577.69690	0.2
672.30499	0.3
672.42316	6.9
673.42889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
53.00315	0.1
53.03943	0.5
55.01865	0.2
57.03413	0.1
60.52797	0.1
64.84425	0.1
65.03946	0.4
66.83181	0.1
67.01865	0.2
68.99804	0.2
69.03439	0.9
70.29926	0.2
70.30344	0.4
71.04997	0.5
79.05483	0.1
81.03419	4.3
81.07074	0.1
83.01343	0.2
85.02892	0.7
85.79948	0.1
86.09721	0.1
91.05481	3.6
97.02887	1.7
98.85348	0.1
99.03826	0.2
99.04453	3.4
103.03947	0.3
109.02879	8.8
110.03214	0.2
110.70919	0.1
119.04943	11.9
120.05244	0.2
123.04514	0.1
124.07580	0.2
127.03916	16.2
128.04211	0.1
136.07584	1.1
137.07944	0.2
139.03844	0.2
145.04941	0.9
145.06079	0.1
145.06523	0.1
147.04408	100.0
148.04738	2.0
152.07054	0.4
164.07071	1.2
165.07372	0.4
169.04962	8.3
170.05289	0.1
177.05539	0.1
184.07329	0.2
187.06013	3.2
187.07649	0.2
227.06898	0.1
229.07077	6.9
230.07437	0.1
247.08157	2.8
255.06587	0.9
273.07571	2.9
275.07227	0.1
287.13718	0.2
288.14264	0.2
289.08963	0.1
315.08621	6.9
316.08826	0.1
333.09808	0.2
351.10788	2.8
352.05536	0.1
352.10782	0.1
393.11841	2.0
431.17624	0.2
652.21381	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	674.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	0.0
51.02374	0.1
53.00330	0.1
53.03933	0.3
55.01866	0.1
65.03923	0.4
66.81882	0.0
67.05486	0.1
69.03413	0.3
69.07069	0.1
70.06601	0.1
70.72441	0.1
70.72768	0.1
71.04991	0.2
73.86924	0.0
79.05489	0.1
79.41347	0.1
81.03416	2.5
81.07062	0.1
83.01351	0.1
83.05011	0.1
85.02907	0.7
86.09701	0.1
91.05479	3.6
92.05813	0.1
93.07091	0.1
95.04961	0.1
95.08629	0.1
95.85078	0.0
97.02888	2.1
97.06500	0.1
99.04453	0.8
103.04002	0.1
105.07039	0.1
107.04974	0.1
107.08593	0.1
109.02875	10.6
109.10139	0.1
110.03229	0.2
119.04940	11.2
120.05260	0.2
121.10149	0.1
123.04491	0.1
127.03912	6.2
127.39180	0.1
128.06192	0.1
129.05556	0.1
131.04820	0.1
133.10260	0.1
136.07587	0.2
137.05962	0.1
138.05507	0.1
139.03902	0.5
145.04913	0.1
145.06490	0.1
147.04402	100.0
148.03615	0.1
148.04742	1.6
152.07060	0.1
154.08620	0.1
157.06419	0.1
163.03777	0.1
164.07071	0.2
165.05447	0.1
169.04956	3.9
173.06010	0.1
175.07507	0.1
176.64977	0.1
177.05444	0.1
184.07318	0.1
185.06042	0.1
186.87874	0.1
187.06036	0.3
192.10335	0.1
199.07426	0.1
211.05971	0.1
215.06973	0.1
220.13239	0.1
227.06842	0.1
229.07034	1.1
247.08273	0.3
255.06555	0.3
261.07538	0.1
271.08286	0.1
273.04678	0.1
273.07553	1.7
274.08008	0.1
289.09186	0.6
291.08600	0.2
315.05725	0.1
315.08588	2.1
333.09631	0.2
351.10745	3.4
352.10992	0.1
393.11783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.1
53.03936	0.2
53.98952	0.1
54.34246	0.1
60.35071	0.1
65.03912	0.4
67.05505	0.1
69.03424	0.2
71.04997	0.1
79.05486	0.1
81.03416	1.6
81.07071	0.1
85.02908	0.2
86.09714	0.1
86.72863	0.1
91.05475	3.1
93.07041	0.1
95.08633	0.1
97.02889	3.0
98.20780	0.1
99.04458	0.2
103.05441	0.1
105.07018	0.1
107.04915	0.1
107.08548	0.1
109.02876	7.1
110.03168	0.1
119.04942	11.0
120.05273	0.1
127.03915	3.0
137.05954	0.2
138.09196	0.1
139.03886	0.6
145.06479	0.1
147.04404	100.0
148.04741	0.9
164.07071	0.1
165.05476	0.7
166.08627	0.1
169.04962	1.9
177.05504	0.2
184.07411	0.1
193.08589	0.1
211.06058	0.2
219.06662	0.1
229.07126	0.1
229.27728	0.1
238.41890	0.1
243.06653	0.1
261.07449	0.1
271.08109	0.2
273.07605	0.2
309.09677	9.8
310.10013	0.2
331.10336	0.2
351.10721	0.6
356.83273	0.1
393.12003	0.3
477.28482	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	674.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03942	0.6
53.07578	0.1
55.01867	0.3
57.03445	0.1
57.39569	0.1
65.03915	0.5
67.01873	0.2
68.99796	0.1
69.03435	0.9
69.29360	0.1
70.19659	0.3
70.20084	0.2
71.04998	0.4
81.03418	3.0
85.02901	0.8
89.03924	0.1
91.05479	3.0
95.04992	0.1
97.02893	5.1
98.03236	0.1
99.04449	3.3
103.03946	0.6
109.02106	0.2
109.02881	5.9
119.04944	10.8
120.05280	0.1
127.03915	16.8
128.04315	0.2
137.05908	0.1
139.03909	0.9
145.04958	1.3
147.04408	100.0
148.04733	2.0
165.05522	0.3
169.04964	6.9
170.05183	0.2
184.07364	0.2
187.06021	3.2
187.07436	0.2
188.06148	0.1
193.38037	0.1
211.05933	0.1
229.07069	7.5
230.07376	0.1
243.06654	0.1
247.08116	2.6
255.06538	0.6
273.07587	2.6
289.09094	0.7
291.08615	0.2
315.08618	5.9
316.08899	0.3
348.91238	0.1
351.10736	5.0
352.11099	0.2
381.90256	0.1
393.11804	2.9
394.12225	0.2
543.63977	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	674.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73098	0.1
51.18132	0.1
53.03930	0.3
65.03931	0.5
67.05154	0.1
69.03428	0.2
70.12551	0.3
70.12967	0.2
71.04971	0.1
75.07578	0.1
81.02973	0.1
81.03417	1.5
85.02892	0.2
91.05478	2.7
91.12727	0.1
97.02892	2.6
98.20686	0.1
99.04460	1.4
99.27502	0.1
103.03946	0.3
109.02881	4.2
119.04945	9.9
120.05233	0.1
127.03919	6.4
129.73274	0.1
130.83574	0.1
139.03880	0.3
145.04944	0.5
147.04408	100.0
148.04738	1.1
149.76614	0.1
161.30217	0.1
165.05457	0.5
169.04944	1.3
187.06033	1.2
229.07027	2.3
243.06465	0.1
255.06593	0.1
261.07632	0.1
273.07559	1.2
275.02106	0.1
289.09229	0.6
291.08722	0.3
309.09689	5.8
315.08612	0.4
351.10751	5.0
352.11142	0.2
375.43771	0.1
435.12946	0.1
580.95148	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	670.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43821	2.5
53.03939	3.5
54.05348	3.4
55.05511	21.9
57.03437	7.9
57.07080	14.3
57.96498	3.0
61.02930	33.8
67.05508	43.6
69.03436	6.8
69.07063	35.7
69.48022	3.0
71.05007	3.7
71.08636	8.6
71.09283	5.1
73.02920	10.6
79.05491	23.1
81.03424	6.6
81.07059	51.6
83.08621	46.1
85.02910	32.7
85.06561	3.9
85.10206	5.4
88.47425	2.7
91.03963	24.5
91.05492	6.9
93.07056	22.4
93.84158	2.7
95.08618	30.3
97.02890	12.4
97.06535	12.4
97.10168	22.1
99.08109	4.6
105.07017	3.3
107.08591	21.7
109.10155	20.4
111.08112	9.0
111.11738	4.5
119.08607	3.3
121.10146	53.7
123.11710	15.3
125.09641	4.4
127.03931	10.1
135.11703	37.3
137.13257	13.2
139.11201	5.8
143.73927	2.8
145.04948	15.9
149.13249	15.7
157.12811	2.8
163.06061	24.1
163.14857	8.0
184.07333	4.7
197.88499	2.6
202.39581	2.7
210.59837	2.9
219.21094	53.7
237.22127	100.0
237.78979	3.5
255.23195	32.7
311.25815	85.0
329.26874	92.7
331.90988	2.8
453.37848	2.8
473.31296	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	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.3
53.03938	0.5
55.01874	0.5
55.05513	4.5
57.03440	4.0
57.07077	39.5
58.07362	0.3
61.02927	15.5
67.05504	10.4
69.03429	2.4
69.07066	8.2
69.93979	0.3
69.94290	1.6
71.04991	0.9
71.08633	34.4
72.08961	0.2
73.02917	6.4
74.39713	0.2
75.04479	2.5
77.89162	0.2
79.05486	1.5
79.81504	0.2
80.34036	0.2
81.03405	1.8
81.07059	16.6
81.31190	0.2
83.04983	0.4
83.08620	13.3
85.02906	20.5
85.06551	0.5
85.10182	19.3
87.04466	0.4
89.06049	1.5
91.03954	15.5
91.05482	1.3
93.07050	1.0
95.04955	0.8
95.08607	27.4
96.04452	0.3
96.05314	0.2
96.08953	0.3
97.02895	9.5
97.06487	0.4
97.10169	6.8
97.10780	0.5
98.20785	0.3
99.04455	1.1
99.08100	0.3
99.11753	1.0
103.07600	0.7
105.07050	0.6
107.08595	0.6
109.02895	0.7
109.10154	13.8
111.04478	0.2
111.11726	1.7
113.13291	0.7
115.03928	0.7
117.07041	0.4
119.08601	0.4
120.08929	0.3
121.10188	0.3
123.11711	5.2
125.00013	0.3
125.13271	1.0
127.03917	6.0
131.10709	0.3
133.10115	0.4
135.08086	0.3
135.11713	0.5
137.13260	2.8
139.14816	0.5
145.04958	7.8
147.11697	0.4
149.09610	0.3
151.14827	0.9
163.06015	14.1
165.16408	0.7
184.07390	0.8
204.08736	0.3
211.95093	0.3
221.22617	1.2
239.23701	19.8
240.24077	0.5
257.24814	4.0
298.27328	1.0
313.27359	100.0
314.27719	2.6
331.28427	52.6
332.28748	1.5
410.18555	0.3
475.32803	0.3
636.39435	1.0
654.40521	0.5
672.41284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05029	0.6
58.06621	0.5
59.07137	0.1
59.07391	0.2
60.08164	6.7
67.05508	0.8
68.56738	0.1
69.07056	0.2
69.89642	0.5
70.06579	0.1
71.06971	0.2
71.07373	3.2
73.47533	0.1
77.87473	0.1
79.05492	0.5
80.97442	0.1
81.03405	0.2
81.07059	0.6
83.08616	0.1
86.09707	30.8
87.10043	0.3
88.57841	0.1
91.05469	0.3
93.07032	0.5
95.04941	0.1
95.08617	0.4
98.98463	2.7
104.10743	2.3
105.07027	0.2
105.95665	0.1
107.08586	0.3
109.10187	0.5
116.99506	0.1
119.08636	0.2
121.10147	0.2
125.00005	19.6
126.00329	0.1
131.08597	0.1
133.10117	0.1
143.01041	0.4
145.10143	0.1
146.06583	0.1
162.19954	0.1
166.02664	0.2
184.07343	100.0
185.07710	1.2
285.28397	0.1
291.19672	0.1
357.83020	0.1
368.84335	0.1
489.36130	0.1
518.32843	0.2
672.42334	7.6
673.42419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.01876	1.1
55.05508	4.5
57.03217	0.4
57.03438	9.7
57.03700	0.7
57.07065	0.6
59.05005	2.9
61.02921	1.4
61.39642	0.3
65.03944	0.6
67.05505	48.8
68.05840	0.6
69.03434	1.6
69.07081	1.9
70.21474	1.6
71.05003	2.4
73.02917	0.5
74.08916	0.3
79.05492	5.9
81.03419	37.8
81.07059	11.6
82.03797	0.4
83.04985	2.2
83.08622	11.4
84.37879	0.4
85.02896	2.5
85.06535	2.3
91.03950	0.6
91.05477	8.5
93.07042	6.8
95.04361	0.7
95.04970	12.3
95.08607	5.3
96.05264	0.4
97.02901	2.0
97.06530	0.9
97.10190	1.3
98.21432	0.4
99.04474	0.4
99.08092	0.6
103.03980	0.5
103.05439	0.4
105.07021	5.9
107.04955	3.0
107.08601	3.3
109.02837	0.6
109.06554	2.0
109.10156	53.7
110.10487	0.6
111.04446	1.0
111.08089	5.2
113.71121	0.3
115.05458	0.7
117.03393	0.4
117.07028	1.1
119.08578	9.6
120.08990	0.4
121.06487	2.0
121.10148	3.3
123.04467	0.4
123.08070	1.4
123.11629	0.4
125.09631	1.2
127.03913	1.0
129.07002	4.6
131.08556	3.6
131.09398	0.4
133.05574	0.3
133.06512	1.4
133.10107	3.0
135.11711	0.4
137.05975	0.9
137.09613	3.5
142.07782	0.9
145.02864	1.0
145.10097	1.2
147.04407	0.7
147.08089	1.8
147.11674	3.4
149.05960	0.5
149.09633	2.1
155.08685	0.4
155.10643	2.7
157.10138	5.2
159.11717	0.4
161.09576	0.6
163.11232	1.0
163.43497	0.4
165.05374	0.3
165.12762	0.9
173.11740	18.4
175.11171	5.4
177.05467	2.1
177.12767	0.5
184.07344	0.5
187.11154	0.4
193.12242	15.6
203.10681	0.5
205.12308	0.4
207.13905	0.7
211.13257	2.2
213.12656	0.6
227.12808	0.5
229.14354	84.4
230.14726	1.8
231.08070	0.8
231.13814	0.5
232.08403	0.8
247.07458	0.8
249.14885	1.2
267.15915	76.7
268.16208	2.1
275.07065	4.2
276.07401	4.8
301.14386	0.6
309.17102	0.5
311.20084	0.5
329.21130	2.2
347.22372	0.8
375.17593	0.5
403.24802	8.8
421.25854	100.0
422.26205	4.4
456.00696	0.4
463.27063	1.9
471.25916	0.6
505.28046	0.4
517.27875	0.8
529.28149	0.8
547.29034	1.2
565.29913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.434
Annotation	PAz-PC
Peak:m/z	Relative Intensity
55.05503	0.3
56.05022	0.4
57.07061	0.2
57.52383	0.2
58.06599	0.3
60.07881	0.3
60.08166	5.5
65.98053	0.2
67.05487	0.3
70.20834	0.6
70.21227	0.4
71.07375	2.7
81.07090	0.2
86.09707	27.4
87.55965	0.2
97.10199	0.4
98.98471	2.1
104.10741	1.9
111.41262	0.2
115.83562	0.2
125.00004	17.3
125.09602	0.3
143.01074	0.3
184.07343	100.0
185.07701	0.3
205.14886	0.2
234.50455	0.2
488.55646	0.2
666.43329	10.4
667.43329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06247	0.9
56.96569	14.1
61.02917	1.2
67.05508	3.8
69.03419	2.2
69.07072	1.6
71.08626	2.9
71.95235	1.4
73.02913	0.9
79.05495	2.2
81.03398	1.2
81.07047	2.3
83.08603	1.0
85.02879	1.3
91.05470	1.6
93.07059	2.6
95.04955	1.5
95.08600	1.3
97.06522	1.5
97.64639	0.7
99.08104	1.5
105.07038	1.4
107.04950	1.9
107.08566	1.3
117.06998	1.1
119.08577	1.8
121.10206	1.0
123.08082	1.0
133.10085	0.8
137.05949	0.9
141.02251	0.9
146.99689	2.4
149.02397	1.6
169.01643	0.8
169.05174	0.8
171.03268	1.4
173.11740	0.9
175.06261	0.9
180.50096	0.8
184.07271	1.6
185.04784	1.1
189.04335	1.5
197.04865	1.0
199.06435	3.7
201.07944	1.7
203.05907	2.8
211.06395	1.7
217.07491	6.7
225.07994	2.6
227.05791	0.9
227.09520	1.3
229.07533	1.4
231.09056	1.2
237.07991	3.7
243.09062	4.3
253.11168	1.1
255.09077	17.6
257.10690	1.0
259.11404	1.0
261.10129	2.1
269.10468	1.5
271.12088	1.8
273.10107	12.4
278.10660	3.4
291.19623	1.6
296.11771	1.5
323.18945	2.4
333.17371	29.1
334.17838	1.1
351.18436	100.0
352.18872	4.5
369.19498	86.0
370.19739	3.4
374.20016	14.2
388.88757	0.9
392.21045	25.6
393.21481	2.3
663.30573	1.6
663.41498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01865	1.4
55.77177	0.3
57.03434	0.4
61.02934	0.3
65.03934	1.0
67.05502	1.5
69.03413	1.2
69.07063	13.4
70.06593	0.4
71.04980	0.8
71.59535	0.4
73.02917	0.4
79.05486	4.7
81.03405	1.0
81.07066	0.5
83.04985	0.8
83.28703	0.4
85.02914	1.7
86.09687	0.5
91.05477	13.7
93.07041	0.7
95.04977	0.8
97.02892	1.1
97.06528	29.5
99.04464	0.3
100.93708	0.3
105.07034	0.9
107.04949	0.8
109.02883	0.8
109.06495	1.5
117.07031	0.3
119.04935	10.5
119.08573	0.5
121.06528	0.8
123.04462	0.6
127.03920	0.8
133.10139	0.4
135.04405	0.9
136.05174	1.5
137.05971	100.0
138.06310	1.8
145.02805	0.5
145.06412	0.4
147.04401	1.3
149.05988	1.3
150.11635	0.3
152.07063	0.3
159.08041	0.4
161.06049	0.4
163.03894	2.7
163.07532	0.7
167.07051	3.6
173.05981	1.2
177.05460	1.0
181.04967	1.2
185.09567	0.4
189.09122	1.0
195.58806	0.3
215.10631	1.6
233.11717	84.4
234.12004	2.1
250.14377	70.6
251.14705	2.1
295.20505	0.3
327.13388	1.0
417.15353	0.5
438.24936	0.7
468.81168	0.4
572.89716	0.4
664.12701	0.4
665.20593	0.3
665.26123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53173	12.3
52.37635	10.7
57.07088	12.0
67.05510	28.6
69.34172	100.0
90.82162	11.3
100.97157	13.8
109.10175	28.4
122.20481	9.7
184.07489	12.7
211.13628	11.2
229.14363	40.1
313.27341	33.4
352.88040	11.5
467.37531	18.8
577.47272	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	663.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67923	0.6
53.03936	3.4
55.01860	2.8
55.05273	1.1
55.05515	15.0
57.03440	19.2
57.07084	6.8
59.04989	0.9
61.02929	63.2
65.03942	0.8
67.05505	19.4
69.03081	1.6
69.03432	23.4
69.03809	1.2
69.07072	22.3
69.81111	5.3
71.01341	2.8
71.04995	3.9
71.08633	4.6
73.02916	19.4
73.65372	0.6
75.04490	2.0
79.05493	7.8
81.03424	20.5
81.07058	21.7
83.01350	1.0
83.04980	3.8
83.08615	16.0
85.02906	79.0
85.06510	1.2
85.10165	1.7
87.04468	4.0
91.03957	49.3
91.05470	3.0
93.07048	11.8
95.04955	2.2
95.08610	18.7
97.02896	62.7
97.06519	2.7
97.10168	12.7
99.04457	9.6
99.08106	1.1
101.02380	6.6
103.03931	7.9
105.07043	2.5
107.04913	1.4
107.08597	8.9
109.02881	10.7
109.06515	1.2
109.10165	10.0
111.04440	3.0
111.08082	1.9
111.11731	3.8
115.03938	5.4
117.05492	2.6
117.07013	0.9
119.08535	2.2
121.10146	12.6
123.11710	3.9
125.09632	1.7
125.13239	1.1
127.03920	29.9
129.05507	5.9
131.08588	1.2
133.04967	0.9
133.10153	1.3
135.11705	10.6
137.05984	1.8
137.13264	1.7
139.11154	1.4
143.07004	1.0
143.08565	0.9
145.04961	20.0
145.10211	0.8
147.11699	1.0
149.13280	3.9
151.14822	1.4
153.12714	1.1
157.04971	0.8
159.06506	4.0
159.07710	0.9
163.05988	6.0
163.14771	1.8
165.16379	1.3
171.06525	2.1
171.13675	1.0
177.16386	1.4
183.06552	14.0
184.07431	1.5
191.18039	1.1
201.07568	11.8
213.18422	0.8
219.08679	1.4
245.22679	1.2
246.60262	0.7
247.24246	8.3
263.23532	1.0
265.25296	21.3
274.57547	0.7
283.26373	2.2
305.21637	0.8
305.24832	0.9
307.26495	1.2
323.25845	1.2
331.26096	1.2
337.27472	3.3
339.28955	100.0
340.29401	3.6
345.27985	0.9
349.27310	1.0
355.26389	1.5
357.30045	1.2
367.28394	3.9
373.27448	3.2
381.29990	4.0
391.28326	1.5
393.29584	0.8
409.29401	2.8
411.30844	1.0
423.31097	2.4
427.29880	0.7
435.31253	1.0
442.79129	0.8
447.31091	8.0
465.32458	6.5
483.33197	17.9
501.34119	2.6
502.58304	0.8
663.38727	4.6
682.37836	0.9
686.83362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
57.07081	10.8
58.51697	1.0
60.48252	1.1
67.05515	9.0
69.07061	4.3
71.08635	6.5
71.49770	1.7
71.50124	1.5
79.05497	6.9
81.07052	12.2
81.20160	1.1
83.04961	1.2
83.08600	6.1
85.10198	5.4
86.09719	2.6
87.04462	3.5
91.05474	1.4
93.07045	11.7
95.04961	2.8
95.08609	15.3
97.06506	1.3
97.10167	1.5
98.98479	1.2
99.04450	2.1
99.71734	1.1
105.07072	2.6
107.04940	2.9
107.08613	8.6
109.10146	3.6
111.08022	1.3
117.07023	3.3
117.18661	1.2
119.08585	4.0
121.06491	2.1
121.10130	3.8
133.10115	1.7
135.11687	17.0
139.18553	1.2
145.10120	12.5
150.13535	1.2
156.49503	1.1
163.11192	23.2
180.98474	1.1
181.12274	4.1
184.07362	6.4
200.19363	1.1
205.49409	1.5
227.12778	23.5
252.15912	2.9
282.27896	3.3
283.15491	3.5
313.27484	2.2
379.67551	1.2
444.53793	1.1
521.38403	100.0
522.38873	3.6
534.49976	1.1
662.40350	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	663.2399
Annotation	CHEBI:66414
Peak:m/z	Relative Intensity
53.03942	1.4
55.01855	1.2
57.03439	2.6
57.25261	0.4
59.05000	0.6
61.02935	0.8
63.02362	0.4
67.05531	0.9
68.01251	0.4
69.03432	14.4
69.07079	0.5
70.06592	0.6
71.01356	0.7
71.04997	4.6
71.59128	0.5
72.08126	0.4
73.02897	0.6
75.04452	0.4
79.05475	0.6
81.03420	18.4
81.07053	0.7
83.04983	1.3
83.06104	0.4
85.02923	2.3
86.09701	0.6
89.03924	3.7
91.05476	1.8
93.07011	0.7
95.04974	0.7
95.08627	0.5
97.02887	1.9
97.06509	0.9
99.04457	6.8
105.07037	1.0
107.04914	0.8
107.08607	0.8
108.70227	0.4
109.02883	1.7
109.06505	0.5
109.10154	0.5
117.03379	12.7
117.05495	1.6
118.06537	2.0
119.04955	0.7
119.08529	0.6
121.06499	0.7
127.03899	1.8
131.08495	0.7
134.03651	0.8
135.04413	1.4
135.08092	0.6
137.05963	1.7
138.09077	0.5
139.64941	0.4
145.02850	35.3
145.07585	3.1
145.10129	0.5
146.06078	0.5
147.04390	1.8
147.09166	5.9
149.06003	4.7
159.11720	0.4
162.05513	6.7
162.07832	0.7
163.03937	1.3
163.08682	1.0
171.23402	0.4
173.07115	8.2
175.07335	0.6
175.08691	6.6
177.05473	71.1
178.04930	0.8
186.05502	1.6
190.07372	0.5
191.08159	100.0
192.08449	1.5
195.06482	0.6
205.09706	0.5
207.07497	0.5
233.09261	1.4
271.10773	0.6
289.11884	1.2
307.12891	24.9
321.09711	1.6
325.13943	92.1
326.14142	2.1
327.07803	0.5
339.10730	3.9
483.17471	1.3
501.15002	0.8
663.23004	0.5
682.87103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20817	1.0
56.96566	16.0
57.03460	1.0
61.02916	1.2
67.05492	3.3
71.58688	1.7
71.95264	1.7
79.05491	12.9
81.07059	5.2
83.08619	1.2
85.02900	2.2
91.05476	2.9
93.07033	1.6
95.04961	0.9
95.08608	1.7
97.02894	1.6
98.18243	1.1
98.97574	1.6
102.44180	1.1
105.07024	1.7
107.04953	2.0
107.08588	3.9
111.20183	1.1
116.98586	2.0
119.08588	1.9
124.09302	0.9
128.98611	2.8
131.08559	1.0
133.10199	1.7
137.05972	2.6
145.10147	1.5
146.99675	5.8
152.75719	1.1
155.03784	1.3
163.07585	1.3
165.00711	1.8
166.08789	1.1
167.03514	1.0
167.07054	1.6
173.04886	2.2
177.05534	1.3
184.07346	3.7
185.04889	2.5
189.04359	2.3
191.05891	2.1
199.06355	2.4
201.08014	1.1
203.05914	2.9
205.07385	1.2
211.62573	1.0
213.08064	1.3
213.23083	1.1
217.07498	3.1
223.02649	1.5
225.04393	3.0
225.08040	1.2
227.05966	1.7
229.07495	3.6
231.09044	2.6
239.05759	1.3
241.07558	1.3
243.09071	8.1
247.08467	3.3
253.07288	1.2
255.09039	2.0
261.10126	7.6
266.10611	1.8
268.09775	2.3
273.10196	1.7
281.10495	1.0
286.10843	1.2
298.81003	1.3
313.15225	1.9
329.07996	1.4
331.15787	55.7
332.16211	1.8
347.15189	1.1
348.19101	1.0
349.16870	100.0
350.17282	5.9
367.13651	1.9
367.17935	25.9
368.18698	1.3
372.18460	25.5
385.18839	1.5
390.15295	1.0
390.19592	8.1
463.30460	4.8
490.44696	1.1
561.08936	1.1
593.12030	1.2
623.36035	15.8
624.35901	1.3
641.37299	22.1
642.37738	1.9
659.38611	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	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
54.66277	1.1
55.05520	1.2
57.03436	1.2
65.05035	1.1
67.05493	3.9
69.03429	2.9
69.07060	1.4
71.72052	1.0
73.02905	1.5
79.05500	2.1
80.04997	1.2
81.03417	3.4
81.07059	3.2
82.06577	1.6
85.02890	3.4
86.09721	2.7
90.76862	1.2
91.05479	3.4
93.07043	6.5
94.06578	9.4
95.04955	2.3
95.07349	4.5
95.08600	2.5
96.08138	13.8
97.02901	2.9
97.06520	3.1
99.04436	2.6
103.05464	2.5
107.04900	1.5
108.08130	12.8
109.02880	3.6
109.10147	2.0
110.09689	25.0
116.04977	2.4
117.03340	1.6
119.08582	1.5
120.04472	4.8
120.08106	19.3
121.06544	1.5
121.10162	1.5
122.06030	4.9
124.07619	8.0
127.03919	2.8
131.08571	1.3
133.10039	1.3
134.06015	2.0
136.07587	12.2
137.06017	2.1
138.05495	3.0
138.09140	40.3
144.04446	4.8
145.02852	2.8
146.05991	4.9
147.04440	1.9
148.07567	6.4
152.07094	1.3
160.03966	2.6
162.05519	3.9
164.06987	2.3
165.09167	3.6
166.04945	2.7
166.08638	54.7
168.33684	1.1
172.03938	32.5
174.05527	1.4
176.07173	2.0
177.05400	5.6
184.07268	2.0
190.04970	14.5
197.51836	1.2
199.12064	1.3
204.06558	31.5
204.16177	1.3
209.10757	1.3
211.08678	1.5
212.09378	2.4
224.09448	2.3
225.10251	4.2
227.11742	4.9
227.64793	1.4
235.08823	1.3
236.09508	2.3
237.10252	10.0
238.11137	2.3
239.11841	3.2
241.09639	2.3
247.14325	2.0
249.10257	3.7
250.11029	3.0
251.08195	1.6
251.11839	8.2
252.12614	2.0
253.09744	5.7
253.13283	2.1
254.10515	1.4
255.11301	3.7
263.07965	1.5
263.11856	6.1
264.09009	3.5
265.09741	14.1
266.10602	3.1
267.11237	6.9
269.12869	5.2
271.10831	3.2
273.12335	6.4
277.09668	2.3
278.06580	3.4
279.11197	9.0
280.08426	1.9
281.12811	3.5
283.10873	5.0
285.12363	4.0
287.13916	5.0
291.11380	2.3
292.08344	1.9
293.09241	12.8
294.09973	2.7
295.10818	3.7
297.12381	7.9
299.10416	2.3
299.13928	2.7
307.10751	5.2
309.12347	7.2
311.10223	3.3
311.14001	1.7
312.11044	4.2
313.11948	4.7
315.13422	1.4
316.25854	1.2
323.10199	3.6
324.52100	1.3
325.11786	18.6
327.13599	2.6
335.10312	5.9
340.10376	2.7
341.11353	12.3
342.12241	1.6
343.12894	4.8
353.11307	12.8
355.12924	3.6
356.13959	1.6
357.14435	17.1
358.15506	1.6
369.14615	2.3
370.15439	1.4
373.13992	7.8
378.17960	1.6
385.13974	5.1
387.15646	4.5
390.18176	1.5
398.15103	5.6
399.15637	5.0
416.16037	5.2
418.17761	1.6
426.60397	1.3
440.16016	2.1
446.17087	3.9
458.17166	8.3
460.18527	1.7
462.19876	1.3
465.18921	5.3
476.17932	1.6
478.19424	6.4
488.17905	6.4
490.18961	7.6
490.67603	1.4
506.19260	100.0
507.19412	1.8
508.21017	3.0
510.22391	2.6
520.20764	10.2
521.21509	3.6
522.22485	2.4
538.21783	26.5
593.23602	1.4
611.25073	31.4
643.27924	2.1
661.32526	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	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.2
56.96513	15.4
56.96822	1.2
67.05466	0.6
69.07013	0.6
71.58155	0.2
71.58897	0.4
71.59277	0.3
71.95260	1.5
72.96011	0.5
74.97559	1.0
79.05493	10.6
79.05921	0.4
81.00206	0.2
81.06985	0.8
84.95979	0.7
85.02866	0.4
91.05476	1.6
93.06994	0.3
95.04897	0.5
97.02803	0.2
97.96762	0.3
97.99128	0.3
98.97521	1.0
103.00643	0.8
105.07036	1.4
107.08585	2.2
109.06473	0.3
110.25198	0.2
110.97562	1.0
115.00648	0.5
115.97765	0.3
116.98555	1.0
121.01669	0.9
121.10075	0.3
123.01120	0.9
128.98599	3.2
129.02213	0.3
131.00131	0.3
131.04848	0.3
133.01656	0.8
133.10052	0.3
134.99663	1.2
137.02715	0.5
137.05882	0.8
141.02158	0.7
143.00072	0.5
145.01651	0.5
146.99657	4.9
147.03214	0.7
147.11613	0.3
149.01178	0.6
152.00002	0.2
153.02170	0.3
155.03822	1.1
157.01686	0.5
159.03203	0.9
161.01241	1.1
161.04799	0.4
165.00729	1.1
165.04149	0.3
167.00194	0.2
167.02261	0.2
167.03709	0.5
169.01707	0.5
169.05290	0.7
170.01193	0.5
171.03262	1.7
173.04855	2.9
175.02725	0.6
177.04291	0.6
179.02145	0.4
179.99292	0.3
181.05301	0.6
183.03256	0.6
184.04047	0.6
185.01195	0.3
185.04884	1.8
186.01955	0.2
187.02737	0.6
187.06340	0.5
189.02695	0.3
189.04335	2.6
189.07745	0.3
191.05904	2.2
193.03770	0.4
194.04887	0.2
195.06847	0.7
196.06398	0.3
197.04781	0.9
197.08455	0.7
199.02824	1.1
199.06403	3.3
200.03520	0.3
201.04228	0.7
201.07954	1.1
202.05090	0.9
203.04185	0.3
203.05927	4.2
205.07326	0.5
207.03333	0.4
207.05179	0.4
207.07034	0.3
207.08891	0.3
208.06418	0.3
209.04971	0.4
209.06953	0.6
210.01884	0.3
211.02747	0.3
211.06409	0.6
213.04294	0.8
213.07973	0.9
214.05025	0.3
214.07408	0.3
215.05771	0.3
215.09502	0.8
216.03018	0.3
217.03911	0.3
217.07466	5.2
217.10892	0.3
219.09012	1.4
221.04907	0.3
222.07765	0.3
223.02913	1.1
223.06339	0.7
223.08463	0.6
225.04376	4.6
225.07825	1.6
225.11525	0.2
226.05222	0.4
226.07401	0.3
227.05835	1.0
227.09473	0.6
229.07469	1.6
231.08894	0.7
235.06462	0.3
237.04317	0.7
237.08023	1.1
237.09978	0.5
239.05829	1.0
239.09479	0.7
240.09074	0.4
241.03735	0.5
241.07478	0.8
243.05438	1.1
243.09052	8.4
244.09488	0.3
245.06923	0.6
247.08371	1.1
248.05894	0.7
249.08078	0.3
251.09540	0.5
252.09056	0.3
253.07440	1.4
253.11044	0.8
255.09047	5.1
257.06903	0.5
257.10699	0.3
261.10117	5.9
262.08627	0.3
263.09543	0.5
265.11127	0.5
266.10623	1.5
267.09076	1.2
268.09924	1.8
269.10471	1.5
271.08487	0.5
271.12100	0.5
273.10065	4.0
277.11017	0.6
278.10605	0.9
279.08997	0.5
280.09784	1.7
281.10590	0.8
283.12274	0.3
284.11771	0.3
285.10068	0.8
286.10953	0.9
287.11581	0.7
292.12262	0.4
296.11813	0.4
298.10846	0.6
299.11517	0.4
301.14627	0.4
303.11227	0.4
303.16394	0.4
305.18002	0.3
313.14670	1.3
315.12289	0.3
319.12164	0.6
319.15948	0.3
329.14557	1.2
331.15778	52.9
332.16138	1.7
347.15250	1.0
349.16852	100.0
350.17160	3.6
354.17252	0.7
367.17935	34.1
368.18430	1.2
372.18466	24.1
373.18649	1.3
385.18991	1.0
389.20090	0.3
390.19531	10.5
391.19836	0.4
623.36182	7.9
624.36591	0.8
641.37225	17.6
642.37317	1.3
659.38293	27.4
660.38525	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96459	16.2
56.96953	0.8
63.90434	0.2
67.05426	0.2
69.06962	0.2
71.58649	0.3
71.95141	1.1
71.95573	0.3
72.95921	0.8
74.97490	0.7
75.44622	0.2
79.05366	2.7
81.06955	0.3
84.95907	0.9
85.02770	0.6
91.05345	0.7
92.98563	0.4
93.06935	0.4
95.04860	0.3
95.08502	0.3
97.02818	0.3
97.96719	0.3
97.99065	0.3
98.97491	0.2
105.00001	0.2
105.06899	0.6
107.04874	0.4
107.08458	0.7
109.10033	0.3
110.97495	0.8
115.97735	0.4
116.98515	0.4
119.08422	0.3
121.01607	0.5
121.09974	0.2
122.05948	0.3
123.01132	0.5
124.99937	0.3
127.03806	0.4
128.98602	1.5
129.02159	0.2
131.08417	0.3
133.01610	0.5
133.06352	0.2
133.10034	0.3
133.98671	0.3
134.99510	0.3
136.07501	0.4
137.02629	0.4
137.05870	0.4
141.02086	0.8
143.00031	0.3
146.99649	2.7
147.03253	0.9
149.01079	0.3
152.01227	0.3
153.02196	0.3
155.03769	1.0
157.01668	0.2
159.03159	0.3
161.01044	0.7
161.04651	0.3
165.00754	1.1
165.04245	0.2
166.08534	0.4
167.03734	0.3
169.01718	1.2
169.05316	0.4
170.01100	0.3
170.02448	0.4
171.03300	1.2
172.03896	0.4
173.04880	1.3
175.02733	0.3
177.04192	0.2
177.05551	0.4
179.02129	0.3
181.05258	0.4
183.03174	0.5
184.07233	0.6
185.04726	0.7
187.02797	2.1
187.06282	0.4
189.04395	1.2
190.04945	0.3
191.03841	0.2
191.05725	0.8
191.07271	0.2
193.03781	0.3
195.06793	0.8
197.01132	0.5
197.04704	0.3
197.08490	0.4
199.02644	0.5
199.06412	1.8
201.04295	0.4
201.07861	0.4
202.05128	0.2
203.05736	1.3
203.07399	0.6
204.06480	1.0
205.03667	0.4
205.05359	0.3
205.07133	0.4
207.06812	0.5
207.08908	0.3
209.04854	0.4
209.06758	0.2
211.06276	0.5
213.04294	0.4
213.07886	0.7
215.05733	0.3
215.09474	0.3
217.05484	0.3
217.07423	2.1
218.08052	0.2
219.06766	0.2
219.08841	0.3
221.04826	0.2
221.08595	1.0
222.07996	0.3
223.02666	0.4
223.06294	0.5
223.08269	0.2
225.07936	1.1
225.87367	0.2
227.05745	0.3
227.09422	0.4
229.07372	0.6
229.09193	0.4
231.06956	0.3
231.08942	0.6
233.08482	0.3
235.06282	0.6
235.10130	0.3
237.04199	0.2
237.07919	0.5
237.10010	0.4
239.05869	0.3
239.09656	1.0
241.07227	0.2
241.11058	0.3
243.06668	0.3
243.08937	3.8
243.11259	1.1
245.10559	0.4
247.10310	0.4
249.07840	0.5
251.09526	1.2
253.07397	0.3
253.11017	0.8
253.19597	0.3
254.19841	0.4
255.08990	0.9
257.10480	0.8
259.09930	1.4
259.12360	0.4
261.08276	0.2
261.10065	2.2
263.09470	0.5
265.11252	1.0
266.10529	0.7
269.10596	1.2
271.12085	0.3
271.20511	0.4
272.20929	0.3
273.10052	0.6
275.09613	0.3
276.12918	0.3
277.11111	14.0
278.11197	0.5
279.12567	0.7
283.12039	0.6
285.12231	0.8
287.10254	0.2
291.12628	1.2
293.14236	0.5
295.12146	4.4
297.13644	0.4
300.12720	1.9
301.11072	0.4
303.13342	1.2
305.11237	0.3
307.15833	0.4
311.15326	0.3
313.14719	2.4
318.13745	0.2
319.12262	0.4
319.15652	0.3
321.17331	0.2
329.14133	0.9
331.15771	61.7
332.16162	1.9
341.15100	0.3
347.15231	0.7
348.18414	0.3
349.16849	100.0
350.17188	2.8
354.17407	1.5
367.17868	4.4
370.16183	0.2
372.18469	27.6
373.18524	1.7
390.19608	0.7
605.35040	0.4
609.23956	0.2
623.36127	3.1
627.24713	0.6
631.81348	0.2
659.33240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48067	0.2
56.96461	14.6
56.96779	4.9
65.03840	0.2
67.05409	0.5
71.29482	0.4
71.95142	1.1
72.95952	0.5
73.58391	0.3
74.97526	0.6
79.05367	3.1
79.05867	0.5
81.06982	0.5
84.95890	1.0
85.02776	0.7
86.70808	0.2
91.03848	0.3
91.05350	0.9
92.98547	0.3
93.06974	0.4
95.08527	0.3
97.02818	0.3
97.06411	0.3
97.96732	0.5
98.97490	0.4
103.00616	0.4
105.06916	0.5
107.08460	0.7
110.97516	0.8
116.98533	0.5
119.08482	0.4
121.01649	0.6
121.10052	0.3
123.01093	0.5
128.98460	1.7
133.01657	0.3
133.98746	0.2
134.99548	0.5
136.07501	0.5
137.02705	0.4
141.02090	0.9
143.00069	0.3
145.01596	0.3
145.10005	0.3
146.99667	2.9
147.03143	1.0
147.04211	0.3
151.00511	0.3
151.02693	0.2
151.04128	0.3
153.02191	0.3
155.03679	1.0
157.01695	0.3
159.03209	0.6
161.01129	0.7
161.04688	0.3
165.00597	0.5
165.01868	0.2
165.04150	0.3
166.08549	0.4
169.01741	1.3
169.05258	0.3
171.03168	0.7
172.03839	0.4
173.04880	1.8
177.05452	0.4
181.05330	0.5
183.03198	0.2
183.06866	0.4
184.07330	0.4
185.04744	1.0
187.02824	1.8
189.04333	1.2
191.03737	0.3
191.05795	1.1
193.03783	0.4
195.03212	0.3
195.06796	0.8
197.01196	0.4
197.04732	0.4
197.08348	0.3
199.02673	0.3
199.06387	1.8
201.04192	0.5
201.07959	0.5
203.05783	1.5
203.07410	0.5
204.06584	1.5
204.08145	0.3
205.05330	0.3
205.07088	0.5
207.06897	0.5
209.04881	0.3
209.06650	0.3
209.08485	0.4
211.06409	0.5
213.07814	0.7
215.09451	0.4
215.11452	0.4
217.05508	0.4
217.07474	3.0
219.08853	0.4
221.04813	0.4
221.08356	1.0
223.02705	0.3
223.06245	0.4
225.04250	0.3
225.08040	1.1
227.05678	0.5
229.07330	0.7
229.09238	0.4
231.08893	0.6
233.08380	0.3
235.06239	0.8
235.10040	0.3
237.07956	0.5
239.09456	0.9
243.06621	0.3
243.08965	4.1
243.11296	1.0
247.10118	0.4
249.11816	0.3
251.09637	1.5
253.11118	0.6
253.19516	0.4
255.09021	1.2
257.10486	0.8
259.10062	1.3
259.12360	0.3
261.10040	2.5
263.09485	0.3
265.11243	1.2
266.10602	0.6
269.10721	1.1
272.21051	0.3
273.09915	0.5
275.09528	0.4
277.11127	14.4
278.11014	0.3
279.12616	0.4
283.12091	0.6
285.12299	1.0
287.16843	0.3
291.12573	1.3
293.14178	0.8
294.14520	0.3
295.12180	4.2
297.13336	0.4
300.12625	1.9
301.11270	0.3
303.13211	1.0
303.16437	0.3
305.11240	0.5
309.13654	0.5
313.14798	1.9
329.14111	0.8
331.15808	64.2
332.16174	1.7
347.15289	0.6
349.16879	100.0
350.17133	2.4
354.17386	1.3
355.16641	0.3
367.17935	4.2
372.18484	29.2
373.18762	1.5
390.19690	0.5
623.36237	3.2
627.24854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01837	0.5
55.05488	0.5
63.88995	0.4
65.03922	0.5
67.05499	3.6
67.35194	0.4
68.38671	0.4
69.07020	0.4
69.96726	2.4
79.05453	1.8
80.04992	1.2
81.03394	0.6
81.05751	0.7
81.07012	0.5
82.06542	0.5
91.05470	2.2
93.07050	4.3
94.06573	7.0
95.04944	1.2
95.06837	0.5
95.07356	6.2
95.08583	0.9
96.08128	12.1
97.06501	1.1
98.20810	0.5
103.05458	1.1
106.06549	0.5
108.04478	3.2
108.07437	0.6
108.08113	8.6
109.08876	1.0
110.09676	21.8
111.90255	0.4
118.06502	0.6
120.08101	13.4
121.06440	0.5
122.06019	10.8
123.06786	0.6
124.07567	0.7
132.04437	1.3
134.05937	1.5
136.07558	5.9
138.09134	23.3
148.07573	4.2
150.05507	0.7
150.09105	0.9
152.07016	1.6
160.03940	12.1
166.08635	30.4
172.03891	1.5
178.05005	0.5
180.10170	4.3
182.11801	2.0
187.08620	0.7
190.04971	1.7
192.06535	2.0
197.10718	1.2
198.11432	0.5
199.08549	0.8
204.06578	2.6
208.09666	0.8
209.10718	0.6
210.11465	0.5
211.08679	2.2
211.12326	3.4
212.03667	0.4
212.09390	2.0
212.13043	0.9
213.10252	3.4
221.10748	1.6
222.11476	1.0
223.08679	4.3
223.12256	2.9
224.09457	1.1
225.10213	17.7
225.13754	0.9
226.10983	11.2
227.11754	5.8
229.13298	0.4
234.11418	0.6
235.08595	1.2
235.12292	1.3
236.09370	1.6
237.06505	0.5
237.10222	8.0
237.13901	1.6
238.10994	5.4
239.08128	8.8
239.11781	24.7
240.12560	7.0
241.09657	1.0
247.12201	0.5
248.09180	2.4
249.10223	5.5
250.10979	6.3
251.08073	4.2
251.11780	22.3
252.08888	2.6
252.12561	4.0
253.09723	9.0
253.13348	7.4
254.10475	9.9
254.13397	0.6
255.11183	1.8
257.09232	0.6
262.11008	0.8
263.08990	0.5
263.11777	17.1
264.08966	1.2
264.12552	3.5
265.09750	7.9
265.13348	14.3
265.15445	0.4
266.10489	4.5
266.14026	3.5
267.11273	6.6
268.12057	0.9
269.12869	1.0
271.10773	2.2
271.13541	0.5
272.11768	0.6
273.15851	0.5
275.11661	1.0
277.09723	1.4
277.13007	0.5
278.10471	3.0
279.11273	9.7
280.12012	1.2
281.12851	11.7
282.13568	0.7
283.10779	6.1
283.13980	0.7
284.11453	0.5
285.12363	9.5
286.13095	3.3
291.11230	4.3
292.12024	1.1
293.09552	0.9
293.12833	6.1
295.10828	0.6
295.14319	1.1
296.11661	1.0
297.12299	3.0
297.15558	0.7
298.13043	5.3
299.13885	47.2
300.14258	1.2
307.10699	1.1
309.12259	5.6
310.13058	5.2
311.13898	13.6
312.14536	1.7
313.15448	40.7
314.16037	0.8
319.10800	1.4
321.12430	1.2
323.13889	22.8
324.14575	2.7
325.12057	1.3
325.15439	30.8
326.16107	0.8
327.13458	0.8
335.14029	0.7
337.11685	1.0
338.12772	0.7
339.13370	2.8
340.14227	2.2
341.14951	96.0
342.15433	0.9
344.13620	0.7
351.13403	6.8
352.14014	2.1
353.14893	6.4
355.16525	0.9
356.13678	0.5
357.14536	0.8
358.15433	1.1
359.15976	1.0
360.17215	0.5
369.14697	0.5
370.15359	1.5
371.16132	3.5
372.16867	3.6
373.17584	20.6
374.18033	0.5
383.16006	33.8
384.16992	2.3
384.21136	0.5
385.17575	32.7
386.18527	1.0
402.18002	0.7
414.18158	1.3
418.17236	0.7
432.19351	1.1
434.20801	0.7
446.20764	21.6
450.19513	0.7
462.20221	23.2
463.21100	0.6
464.21359	0.8
474.20285	14.3
476.21707	0.6
478.23364	0.6
488.22006	0.8
492.21130	0.7
494.22849	100.0
495.23343	1.8
504.21512	1.1
505.21899	1.6
506.22867	78.8
507.23383	1.9
520.24426	0.9
536.23761	0.9
537.24689	6.8
538.25598	3.8
609.27747	0.6
627.27802	4.2
641.29749	1.9
659.30652	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2347
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05508	2.7
59.47049	1.1
63.53181	1.1
65.02053	1.0
67.05514	7.8
69.07057	2.2
69.94561	4.6
69.94970	1.6
79.05495	5.7
81.07061	7.0
83.08605	1.3
86.09695	3.4
91.05486	4.8
93.07034	4.8
95.05016	1.2
95.08600	3.3
100.88504	1.1
105.07045	3.7
107.08600	4.9
109.10182	2.8
117.07039	1.5
119.08628	2.9
121.10135	2.1
125.00032	2.0
129.06914	1.1
131.08588	2.0
133.10143	2.4
135.11655	1.3
143.08571	1.5
145.10114	2.6
147.11697	2.1
147.96123	1.0
148.09407	1.1
159.11772	1.2
161.29601	1.1
183.11713	1.5
184.07384	11.7
189.11226	1.4
222.94989	1.1
265.00513	1.1
267.55048	1.1
277.11020	1.5
291.19553	1.3
318.39758	1.3
349.23892	1.2
358.17520	1.3
399.14355	3.0
400.15219	4.1
409.13327	1.5
413.15967	2.2
414.16760	2.0
421.12894	1.8
422.13654	4.9
423.14188	2.8
424.15314	1.7
429.18658	2.0
435.14587	2.4
436.15573	5.8
437.16425	8.3
449.16443	2.1
450.16727	3.5
451.17599	4.9
452.18301	4.1
455.17801	1.3
456.17712	1.9
463.13882	1.8
464.14746	5.1
465.14719	5.8
467.17062	3.9
468.17749	1.4
469.15021	2.7
477.15396	1.9
478.16388	2.2
479.17215	4.6
480.17590	3.3
481.19217	2.2
482.15762	1.5
483.16351	4.2
484.17133	2.5
493.18970	8.3
494.15918	1.8
495.16766	4.6
496.17300	1.9
498.15054	1.6
506.15561	1.6
507.16513	3.7
508.17340	6.7
509.18164	5.0
511.19998	2.7
512.16760	8.9
516.23779	3.0
521.18262	12.1
522.15741	4.7
525.16650	1.4
526.14777	1.9
539.19214	2.2
540.17529	1.7
543.21820	2.0
553.20935	17.9
571.21698	3.5
572.21802	3.5
581.20410	40.8
585.23676	1.4
594.23572	1.8
599.21246	18.1
600.21478	4.2
613.22845	18.4
622.22778	5.7
631.23834	4.6
641.22449	100.0
642.22552	3.2
656.74451	1.3
659.13086	1.9
659.23480	35.0
660.23358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.07072	6.4
58.06589	1.5
61.02923	0.8
64.84770	0.4
65.03933	1.1
67.05487	1.6
70.06593	15.6
71.08636	2.5
72.08132	0.6
75.10439	0.4
79.05487	1.1
81.03419	0.6
81.07047	1.6
83.08645	0.5
84.08138	0.5
85.02901	1.2
85.10184	1.0
86.09704	0.6
88.07085	1.1
88.07630	19.7
91.03935	0.8
91.05487	1.0
93.07033	0.9
95.08623	0.7
97.02890	1.0
102.09178	14.3
105.07045	0.8
107.08601	0.9
121.10088	0.5
131.04889	0.6
146.11836	0.5
149.02342	32.0
149.03268	1.3
150.02641	0.8
175.03969	1.3
177.05490	1.3
193.04965	41.5
193.57594	0.5
194.05365	0.4
212.23766	0.7
219.06505	0.8
225.05516	0.7
237.07597	12.4
237.09976	0.7
256.26349	42.0
269.04498	1.1
297.03979	2.3
297.95392	0.5
300.29080	1.2
313.07031	2.2
335.25781	1.0
341.06577	8.8
359.07623	6.6
385.09183	17.9
418.39545	0.5
429.11835	26.8
640.34479	1.0
658.35846	100.0
659.36243	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	658.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46628	1.1
55.05497	3.5
57.03431	5.7
57.07078	39.3
61.02927	11.6
67.05506	12.5
69.03432	1.9
69.07065	6.9
70.06600	7.6
70.38444	1.2
71.08632	26.3
73.02904	5.1
75.04455	1.7
79.05485	3.1
81.07047	13.1
83.08620	6.9
85.02908	15.3
85.06554	1.4
85.10184	18.5
88.07626	8.6
88.16719	1.2
89.06030	1.5
91.03942	13.8
91.05477	4.4
93.07047	2.9
95.08606	21.0
97.02894	7.7
97.06525	1.2
97.10155	3.9
99.04445	1.3
102.09174	4.0
105.07020	3.4
107.08534	2.7
107.41985	1.2
109.10165	10.9
111.11723	2.5
119.08556	1.5
121.10122	2.3
123.11720	3.8
127.03909	4.6
131.08592	1.3
133.10097	2.1
135.11732	1.3
137.13216	1.6
145.04956	5.8
145.63081	1.4
149.02356	15.9
163.06032	11.7
177.05450	1.5
184.07336	2.4
185.29831	1.5
193.04953	13.9
225.22162	18.7
229.61133	1.8
237.07521	3.5
243.23132	4.3
256.26328	16.7
299.25803	100.0
300.26093	2.1
317.26840	40.8
341.06653	3.6
359.07556	2.1
385.09122	5.3
429.11777	7.9
461.31305	2.0
478.32327	1.5
525.50146	1.2
599.20770	1.5
658.35651	37.4
658.46436	2.0
659.35718	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	658.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.5
55.01847	0.3
57.03391	0.6
61.02888	0.4
67.05446	0.2
69.03429	2.2
69.07037	0.2
70.12953	0.7
71.01312	0.2
71.04946	0.2
73.02885	0.3
76.24535	0.2
79.05440	0.6
81.03426	2.2
81.07032	0.2
85.02905	2.5
86.09634	0.2
87.04416	0.2
87.36932	0.2
89.03869	0.3
91.05484	2.2
93.07022	0.4
95.04930	0.3
97.02927	1.0
97.06478	0.3
97.68128	0.2
98.21486	0.3
99.04404	0.6
103.03911	0.4
105.07026	0.2
106.06492	0.8
107.04928	0.3
108.08020	0.3
109.02878	1.4
109.06530	0.2
116.05012	1.0
119.04979	1.3
120.08064	0.3
122.05973	0.2
123.04408	1.1
127.03882	1.5
134.06020	1.9
135.04436	1.5
136.94142	0.2
137.05986	3.5
144.04381	0.7
147.04364	0.6
150.05492	0.2
162.04303	0.3
162.05515	4.2
163.05870	0.2
166.08611	0.3
172.03911	1.2
176.07068	0.2
177.05418	0.4
181.06352	0.3
184.07304	0.4
187.05867	0.3
193.32159	0.2
195.07965	0.2
218.07251	0.2
219.07968	0.5
221.56316	0.2
223.07532	0.5
228.08037	0.4
231.08040	3.0
233.09625	1.0
237.09152	0.3
244.08821	0.3
247.07549	5.0
255.08006	0.5
256.07544	2.2
257.09680	0.2
259.07385	0.3
259.09775	0.3
264.50269	0.2
274.08636	14.6
275.09125	0.4
286.08307	0.2
288.10135	0.3
309.60776	0.2
316.09552	0.3
319.11267	0.3
324.10825	0.2
336.14032	0.4
338.11795	0.3
364.13443	0.9
367.12283	0.4
375.12372	0.5
376.13617	0.3
377.10699	0.2
378.11227	2.0
380.12805	1.6
381.13739	0.3
382.14407	14.6
383.14838	0.8
391.11932	0.7
392.12781	3.4
393.13626	17.8
394.14230	1.1
408.12204	1.0
409.13104	2.9
410.13876	100.0
411.14185	6.2
438.13412	0.5
452.14786	1.3
478.28580	0.2
572.19196	3.7
573.19281	0.2
614.20221	29.1
615.20551	2.2
640.18311	1.2
658.19208	48.7
659.19580	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	657.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
55.01874	6.8
55.05513	12.7
57.03438	22.1
57.07080	1.4
59.05006	1.6
61.02928	86.7
65.03952	2.5
65.18549	0.6
67.05222	0.4
67.05508	29.9
69.03432	34.4
69.06709	1.1
69.07070	11.3
69.94152	2.6
71.01353	5.7
71.04999	5.7
73.02919	34.1
73.06556	0.5
75.04485	2.3
77.03940	1.1
79.05495	35.8
80.05837	0.5
81.03423	23.4
81.07056	31.2
83.01337	1.3
83.04987	6.4
83.08617	5.4
85.02905	100.0
85.06549	2.2
87.04475	4.3
91.03957	56.2
91.05482	39.3
92.05804	0.7
93.07046	42.3
95.04967	10.0
95.08611	26.0
95.09245	0.9
97.02895	76.0
97.06527	4.1
97.10147	2.6
99.04456	11.9
99.08100	1.7
101.02383	9.2
103.03947	7.9
103.05476	2.0
105.04523	0.8
105.07033	38.4
106.07375	0.6
107.04956	5.0
107.08595	23.7
109.02879	12.3
109.06533	4.3
109.10147	9.0
111.04419	4.5
111.08092	2.8
113.06036	1.0
115.03932	6.6
115.05450	2.6
116.06257	0.7
117.05566	2.6
117.07018	18.0
117.07848	0.9
118.20858	0.4
119.04919	1.0
119.08583	31.8
121.02811	0.5
121.06518	3.8
121.10149	19.6
123.04390	1.4
123.08089	3.2
123.11694	2.0
125.05988	1.0
125.09615	1.6
127.03919	30.6
127.07529	0.8
128.06256	3.0
129.05516	4.4
129.06998	12.6
130.07776	1.2
131.04948	1.0
131.08569	23.0
131.15384	0.5
133.04980	0.6
133.06487	3.5
133.10135	24.0
134.65642	0.5
135.04366	0.6
135.08046	3.0
135.11697	14.1
137.05972	1.6
137.09607	1.8
139.03973	0.9
139.07545	1.4
139.11218	1.0
141.05482	0.9
141.06981	3.7
142.07799	2.2
143.08562	14.9
144.09294	0.6
145.03099	0.7
145.04961	19.7
145.06465	3.1
145.10126	22.6
146.10838	0.7
147.04434	0.8
147.08018	2.5
147.11690	21.0
149.05972	1.0
149.09630	4.1
149.13266	8.5
151.07561	1.3
151.11208	1.4
153.06952	1.2
153.09161	0.8
154.07794	1.0
155.07201	0.9
155.08543	6.2
156.09364	1.0
157.06459	1.4
157.10136	11.6
158.10823	0.6
159.06543	1.4
159.08055	3.2
159.11696	18.2
161.05969	1.1
161.09576	3.2
161.13269	11.6
163.06047	7.0
163.07437	0.9
163.11203	2.3
163.14832	3.2
165.07002	1.4
165.09117	1.5
165.71855	0.6
166.07704	1.2
167.07161	0.7
167.08560	2.4
168.09366	1.0
169.06413	0.5
169.08696	0.9
169.10071	6.4
170.10886	0.7
171.06570	1.1
171.08072	2.7
171.11679	12.7
173.09604	1.9
173.13251	12.2
175.07498	0.9
175.11176	2.7
175.14815	5.3
177.05444	0.9
177.12766	1.5
178.07753	0.7
179.08559	1.2
179.10640	0.6
181.10121	4.2
181.12323	0.8
183.06493	3.4
183.08049	2.0
183.10233	0.6
183.11691	6.5
184.07370	0.7
184.08926	0.8
185.08020	0.9
185.09610	1.5
185.13254	9.6
187.07547	1.0
187.11185	3.0
187.13252	0.7
187.14787	4.5
189.09059	1.0
189.12747	2.0
189.16385	1.0
191.14291	0.8
193.10202	1.0
193.12204	1.1
195.08188	0.8
195.10083	0.6
195.11690	4.3
195.13312	0.8
196.08841	0.6
197.09575	1.6
197.13252	4.8
198.13828	0.5
199.09546	0.9
199.11162	2.1
199.14821	5.2
201.07553	2.3
201.09203	0.8
201.12730	2.1
201.16357	0.6
203.14259	1.8
205.10092	0.5
205.15668	0.6
207.11713	1.8
207.13600	0.8
209.09541	1.2
209.11508	0.7
209.13310	3.7
211.11148	1.5
211.14822	2.1
213.12723	2.2
213.16373	2.3
215.10762	0.9
215.14319	1.1
217.03053	0.5
217.15866	1.9
217.19557	1.0
219.11684	1.2
219.13686	0.7
221.13272	1.6
221.15268	0.7
223.11124	1.7
223.14818	1.9
225.12704	1.8
225.16359	0.7
227.14362	1.1
229.12234	1.1
229.16019	0.7
229.19498	1.2
231.13919	0.6
231.17439	0.8
231.21086	2.8
233.13347	0.8
235.14946	0.7
237.12663	1.5
239.14339	0.8
239.17984	1.5
241.19501	10.9
243.13843	1.0
243.17390	0.6
243.21098	0.8
249.15039	0.8
253.19513	1.1
255.13654	0.6
255.17744	0.6
255.20859	0.8
257.19067	3.7
259.20569	21.9
261.22122	1.8
262.19519	0.6
269.18915	2.1
271.17841	0.5
271.20581	4.0
273.18668	0.6
273.22086	1.3
275.17291	0.5
275.20154	2.4
277.18872	0.8
277.21722	5.0
283.20535	3.5
285.18521	0.9
285.21985	1.3
287.19974	1.7
289.21585	2.1
291.19473	0.9
291.23212	0.9
295.20483	2.1
297.18854	0.5
297.22064	2.3
297.25143	0.6
299.20007	1.9
301.21646	9.3
307.15543	0.7
307.20325	1.4
309.16730	0.7
311.19965	1.2
311.23422	0.8
313.18329	0.6
313.21671	5.0
315.23145	4.2
317.21201	1.0
319.22827	0.7
321.21979	1.5
325.21573	4.5
327.22894	1.1
329.21121	0.7
331.22562	1.7
333.24246	42.7
334.24326	0.8
337.21472	1.4
339.23260	3.1
343.22614	3.5
345.24329	2.7
349.21030	4.8
351.25381	3.5
355.17310	0.6
355.22571	1.0
357.24142	2.0
361.24005	2.8
363.25208	2.0
367.22635	9.8
369.24042	0.9
373.23682	0.9
375.25336	8.8
385.23813	5.8
387.25351	3.2
397.23056	0.6
399.25156	1.6
403.24927	4.7
405.25784	0.8
411.25092	0.6
413.27069	1.1
417.22214	0.5
417.26434	5.0
421.25836	1.1
423.25262	1.6
429.25986	2.3
435.27451	0.8
441.26401	17.3
442.26721	0.7
459.27383	16.2
477.28519	19.0
483.27335	0.9
495.29584	14.7
501.28278	0.6
507.29132	1.2
519.28583	0.7
527.67908	0.7
585.29968	1.3
603.31555	3.7
621.31366	1.0
639.33130	1.8
657.33777	7.7
657.43335	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	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05516	5.5
57.03441	4.4
57.07076	32.7
59.38138	0.6
61.02930	9.4
67.05503	9.9
69.03410	1.3
69.07069	5.5
70.45847	0.8
70.46186	2.5
71.08632	27.4
73.02902	2.3
75.04475	2.0
79.05480	2.4
81.03415	0.8
81.07055	15.4
83.04947	0.9
83.08618	11.0
83.42184	0.6
85.02430	0.8
85.02905	9.7
85.10188	14.2
89.06050	1.0
91.03954	10.1
91.05464	2.3
93.07039	2.5
95.04977	1.0
95.08612	21.0
97.02895	4.8
97.10168	5.2
99.11702	1.0
105.07014	1.7
107.05000	0.8
107.08601	1.5
109.06542	0.8
109.10162	11.3
111.11729	1.2
117.07023	0.8
119.08577	1.2
123.08087	0.7
123.11692	3.9
125.13260	1.3
127.03907	3.2
131.08549	1.1
135.11734	0.8
137.13251	1.8
139.08791	0.7
145.04955	3.7
151.14761	1.1
163.06015	5.5
165.16406	1.1
184.07355	0.8
239.23691	23.4
257.24765	3.7
269.64743	0.7
273.18372	1.7
291.19574	1.4
313.27368	100.0
331.28424	19.6
397.68381	0.7
457.31577	0.9
475.32721	2.7
506.40939	0.7
577.24213	1.0
637.26508	1.0
637.40320	2.0
655.27545	1.4
655.42316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41047	4.7
64.72293	4.8
71.28461	6.9
71.28776	6.4
135.02774	4.7
163.59285	4.8
207.73328	4.8
209.10872	5.3
221.63976	6.0
273.13184	5.2
421.20193	6.7
422.21329	6.8
423.21722	16.1
435.21844	10.5
447.21750	6.0
454.20029	6.7
494.26666	6.6
495.23944	16.6
496.24490	7.7
508.24802	12.4
509.25571	11.5
511.27182	12.8
521.25604	10.4
523.23621	7.5
537.25128	18.1
538.25592	6.8
567.49255	6.1
581.27386	11.2
597.27484	35.0
603.70831	5.8
613.30206	80.0
625.26556	100.0
657.29657	13.4
660.18280	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	654.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05512	0.7
57.03437	0.8
65.03951	0.5
66.92302	0.3
67.05504	1.6
68.44372	0.3
69.03426	1.6
69.07069	13.8
70.06583	0.5
71.04987	1.1
71.30161	0.6
73.06557	0.8
79.05491	5.9
81.03414	1.1
81.07065	1.1
84.08134	0.4
85.02917	2.3
85.06570	0.5
91.05483	8.9
93.07024	1.7
95.04982	1.0
95.08615	2.5
95.24844	0.3
97.02898	1.4
97.06532	64.9
98.06854	0.8
99.04444	0.7
100.08127	0.4
105.01891	0.4
105.07015	1.5
107.04964	1.2
107.08621	2.3
109.02892	1.5
109.06525	1.0
109.10161	0.8
111.08083	0.7
115.07571	1.5
117.07005	0.5
119.04943	6.1
119.08583	2.3
121.06478	0.5
121.10124	2.0
123.08073	0.9
123.11712	0.8
127.03940	1.8
129.07106	0.5
131.08548	1.9
133.06491	0.9
133.10118	1.7
135.04428	1.2
135.08051	0.7
135.11711	0.5
137.05978	78.4
138.06306	1.3
139.03868	0.4
143.08665	0.5
145.02792	0.4
145.04973	1.0
145.10088	0.8
147.03287	0.6
147.04395	3.2
147.08109	0.5
147.11679	1.0
149.05974	1.7
149.09633	0.9
149.13252	0.4
150.05406	0.4
151.03947	0.5
152.07118	0.6
155.08568	0.6
161.05978	0.5
161.13304	1.0
162.05414	0.7
163.07524	1.0
163.14819	0.6
164.07121	0.6
167.10672	1.1
173.06012	0.5
173.13234	3.7
175.14813	4.1
177.05444	0.5
183.08141	0.4
187.07611	0.4
189.09103	9.4
189.10732	0.6
189.12691	0.7
191.10704	0.7
191.14359	3.4
193.15906	1.1
201.09114	1.0
204.10245	0.8
205.12254	0.7
207.13831	1.6
209.15370	1.4
214.71567	0.4
215.10701	1.3
227.16403	2.3
231.05045	0.4
233.11723	64.5
234.12137	1.7
248.12859	3.7
250.14384	100.0
251.12740	25.3
251.14720	1.8
252.13098	0.5
266.13782	0.7
268.15457	11.3
269.09775	0.8
353.21042	0.7
357.08008	0.4
421.05484	0.4
576.97498	0.4
654.18817	1.7
655.20477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2605
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
51.23941	1.4
60.08174	2.1
81.07070	2.6
82.75153	1.8
86.09708	5.0
98.20693	2.7
100.11263	3.1
125.00018	3.5
127.87121	1.7
184.07321	14.5
185.07709	5.0
186.07950	1.6
229.27235	2.0
237.14061	1.9
256.13248	1.7
259.09317	1.7
363.16458	2.0
377.17499	6.2
378.18454	4.5
389.17575	2.3
390.18582	2.4
391.19168	13.3
392.20065	5.3
393.20819	6.7
403.19186	2.5
405.20700	6.5
406.21298	3.7
407.22446	15.7
419.17865	2.7
419.22800	3.7
421.20282	7.2
422.16974	2.3
431.18692	3.0
433.19775	3.7
435.21976	13.8
436.22827	2.3
437.19531	3.8
445.20657	3.4
447.22021	5.2
451.21384	4.8
458.16693	2.0
459.18384	4.9
463.21140	1.9
465.19153	10.7
466.20151	3.2
473.19623	4.7
474.20737	2.9
477.19159	1.9
479.20685	18.1
480.21832	2.8
489.23193	3.0
492.21259	1.9
493.26083	3.8
501.19263	5.0
505.18542	7.9
506.19247	2.5
515.20868	7.0
516.21741	2.6
517.22400	27.9
518.22437	2.1
521.25574	6.0
537.24579	3.6
547.23633	3.6
549.25079	32.3
550.24908	2.7
551.22528	7.7
565.24609	5.5
566.25153	20.1
575.23273	8.9
593.23969	11.4
607.25232	6.4
609.26642	8.0
635.24951	90.0
636.25195	3.1
653.26050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60860	0.8
66.51841	0.9
70.06463	3.9
70.36189	0.9
99.32294	0.9
118.06524	1.2
135.49579	0.8
156.25572	0.9
197.10677	1.1
201.82835	0.9
205.61713	0.8
209.10672	2.1
210.11600	1.9
221.10684	1.5
223.12350	2.7
225.13828	4.0
226.14699	1.6
233.83911	0.9
237.13852	1.5
239.15340	1.3
249.10228	1.4
249.13951	1.2
277.09775	1.1
278.10394	1.0
336.11365	1.1
337.11603	1.1
338.12888	1.4
352.14426	1.3
396.13153	1.1
403.19257	2.4
412.16446	1.3
416.15952	1.6
426.18280	1.2
429.17157	3.1
430.17606	1.7
431.18378	3.1
443.18567	1.8
444.19778	1.4
445.20135	2.6
446.20908	3.9
447.21707	3.5
454.17496	2.0
459.22696	4.5
471.18005	1.6
472.18832	2.6
473.23508	1.7
474.20984	1.4
475.21347	3.4
487.21320	10.1
488.22379	1.4
501.22888	3.3
515.21106	2.2
519.23895	3.5
529.22101	3.7
531.20313	1.1
533.25488	4.5
534.22229	1.5
547.23529	1.7
561.24957	81.6
562.25238	5.2
589.24121	5.9
621.27094	100.0
622.27429	5.7
653.29077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.26305	13.1
69.44459	100.0
76.65260	12.2
120.81250	13.4
172.78088	12.8
454.02811	12.4
551.26935	13.2
566.28766	20.6
575.27020	12.6
635.28198	24.9
653.29364	54.3
671.72174	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13709	2.0
53.03953	2.3
55.01874	2.6
55.05513	3.6
56.44612	1.7
57.03447	4.3
61.02916	2.7
67.05510	19.3
69.03417	6.0
69.07066	3.5
70.84856	5.9
78.14066	1.7
79.05504	3.8
80.56673	2.0
81.03414	8.6
81.07057	5.8
85.02897	8.2
91.05471	5.6
93.07044	3.0
94.06569	12.8
95.04988	4.0
95.08614	4.0
97.02895	6.8
97.06552	2.2
97.17525	1.9
105.07085	2.2
107.08588	3.2
108.08111	9.0
109.02883	5.1
109.10182	6.7
111.08022	2.2
117.07027	1.9
120.04451	2.7
120.08128	2.7
121.10133	2.6
122.06030	29.1
127.03928	4.1
134.06055	4.7
136.07578	8.6
137.05984	2.9
145.02844	2.9
145.10083	2.8
146.05989	5.2
148.07582	11.8
152.07089	4.7
160.07707	2.8
164.07097	5.1
166.08675	3.3
169.45430	2.3
172.38300	2.0
174.05473	4.6
175.91068	2.0
177.05490	4.9
190.04900	2.4
204.06525	2.6
209.10683	2.7
210.11443	3.4
211.08652	3.5
212.13333	2.4
217.38300	2.0
221.10857	2.3
222.11472	4.7
223.08601	13.7
223.12335	5.3
224.09314	3.4
224.13058	4.9
225.10255	33.2
225.13820	6.2
226.11000	4.6
229.14334	6.4
235.08626	12.4
235.12222	2.6
236.09418	9.9
237.10226	19.6
237.13878	10.0
238.11017	13.7
239.11819	21.9
240.12616	11.0
241.13364	5.3
247.12299	3.6
248.09502	7.3
249.10210	23.0
250.10992	26.3
251.08105	4.3
251.11798	79.9
251.14462	4.3
252.12640	9.6
253.09816	6.0
253.13382	25.0
254.14122	3.9
262.11084	2.8
263.08963	3.6
263.11804	44.2
264.12549	6.7
265.09937	9.7
265.13367	80.1
266.10538	8.0
266.14014	5.8
267.11307	8.7
267.15030	8.0
268.12021	4.1
269.12839	3.7
275.11722	3.2
276.12518	3.8
277.09799	3.8
277.13364	3.1
278.10510	9.8
279.11258	30.6
280.12103	4.4
281.12973	10.1
283.10828	9.5
283.14725	3.0
291.11368	11.3
292.12164	3.1
293.12787	26.8
295.11124	3.5
295.14450	11.9
296.11731	4.5
297.12384	8.0
298.13107	5.8
299.13907	5.7
309.12457	17.4
310.13098	2.6
311.13928	45.5
313.15546	9.7
319.10788	4.9
321.12451	12.5
323.13907	3.9
325.15543	3.0
337.11902	2.6
339.13477	8.4
341.15067	3.8
351.13437	8.8
352.14066	2.2
353.15027	15.7
355.16660	2.4
369.14484	7.5
371.16095	10.9
372.16867	3.1
383.15869	3.3
411.15656	9.5
413.16974	15.3
414.18140	4.1
416.19699	20.4
421.18079	2.4
421.25790	2.9
427.18842	2.4
431.18195	2.5
432.19186	7.1
435.16037	3.0
437.17239	5.9
439.26978	7.4
441.16446	5.4
442.17603	8.3
443.17923	3.7
453.16461	7.6
455.17975	7.4
459.17618	3.4
460.18622	5.4
463.14777	2.5
465.16275	3.8
471.17685	12.3
472.18314	3.8
473.19257	22.3
474.20358	23.9
481.16113	4.7
482.16861	3.1
483.17728	4.7
489.16449	2.4
497.19012	2.9
499.16919	8.5
500.17908	4.5
501.18719	34.0
513.18683	11.3
515.20319	6.1
531.19769	96.7
532.20477	15.3
533.21350	100.0
534.22302	16.2
542.22919	8.4
558.22357	5.7
560.23541	6.3
568.20673	3.7
578.24677	4.1
586.21820	33.5
594.24719	3.4
600.23456	5.7
604.22943	24.1
618.24469	23.7
622.24384	11.1
636.25714	18.9
654.26428	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.4
55.01868	3.9
55.05514	27.1
57.03437	11.9
57.07071	2.6
59.04990	2.0
65.03934	4.4
67.05505	100.0
69.03432	20.8
69.07069	15.1
69.91340	6.3
71.05006	8.3
73.02908	2.0
79.05054	2.0
79.05494	30.2
81.03420	52.0
81.07058	59.8
83.04979	21.7
83.08620	13.2
85.02908	5.6
85.06527	3.8
86.09742	1.1
87.04461	1.3
91.05484	28.8
93.07051	30.1
95.04976	8.9
95.08605	39.0
97.02895	17.9
97.06516	4.5
97.10181	14.5
99.04438	5.0
99.08123	1.4
100.99696	1.0
103.03954	1.7
105.07040	18.5
107.04967	2.9
107.08591	27.1
109.02876	8.5
109.06511	3.2
109.10154	54.0
111.04446	7.5
111.08086	3.6
115.05392	1.2
117.07037	11.3
119.08582	20.5
121.06502	2.6
121.10135	15.5
123.04413	1.6
123.08035	2.9
123.11717	8.7
125.09630	13.4
127.03934	8.9
128.06229	2.2
129.05493	12.6
129.06976	7.4
131.08583	13.6
133.06509	2.0
133.10141	13.8
135.08044	4.2
135.11682	9.9
137.05977	1.3
137.09602	2.9
137.13257	2.1
139.04181	1.0
139.07590	1.2
139.11163	2.0
141.07011	1.9
142.07806	1.6
143.08549	7.4
145.06517	2.5
145.10109	10.2
147.08051	3.0
147.11688	8.5
149.09674	2.6
149.13261	5.1
153.09064	1.6
155.08557	2.7
155.10670	1.7
157.06445	1.4
157.10109	6.7
159.08067	2.4
159.11702	8.7
161.09630	2.8
161.13248	4.6
163.11147	2.9
163.14803	2.8
165.12753	1.7
169.10161	4.5
170.10545	1.3
171.08047	1.4
171.11681	4.8
173.09645	1.9
173.11748	18.0
173.13235	5.4
175.11205	2.0
175.14850	2.4
177.12675	1.1
179.14346	1.2
181.10112	1.4
183.11711	4.3
184.07416	3.0
185.13210	5.4
187.11253	1.6
187.14830	3.5
189.11227	10.7
189.12718	2.1
195.11734	1.7
197.13171	1.6
199.11259	1.7
199.14816	1.6
209.13332	3.0
211.14922	1.9
213.12875	1.2
213.16368	1.0
225.12746	2.1
227.12723	15.4
227.14513	1.1
229.12093	1.5
229.14355	26.4
233.15457	1.2
241.19388	1.3
243.21161	2.5
245.13785	4.0
259.20615	2.5
261.22147	8.5
263.23730	3.4
273.22003	1.5
277.21732	2.5
279.23352	1.1
283.16443	1.1
289.21609	2.0
297.13553	1.4
297.22369	1.5
299.14905	3.3
299.23560	1.2
301.21606	3.8
303.23184	1.7
309.22144	1.2
315.23346	2.2
317.24652	1.4
319.22705	1.6
327.23383	2.2
331.22687	1.2
333.24387	2.1
335.25821	17.6
337.27319	11.6
341.24783	1.7
345.24298	2.4
351.23154	3.3
353.24680	1.9
357.23877	1.3
359.11716	1.0
359.25900	1.7
369.24292	9.9
371.16992	6.1
371.25867	1.5
373.18655	7.5
383.24234	1.2
387.25494	6.5
389.26819	1.5
393.26297	1.4
405.26245	3.5
417.12091	1.2
425.26697	1.3
443.27737	3.8
461.29047	4.4
479.30112	3.2
489.35815	8.5
505.35132	1.2
507.36652	4.1
529.34546	1.3
541.35150	1.9
543.36414	1.4
559.36133	2.1
597.37585	6.0
615.38623	8.7
633.40002	31.1
651.30450	1.1
651.40948	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	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23504	4.3
53.03942	7.4
53.58843	4.1
55.05505	17.6
55.18434	4.4
57.03438	9.4
57.07071	7.8
57.54206	4.0
60.08149	4.3
65.03964	4.2
67.05172	6.8
67.05508	78.1
69.03422	18.2
69.07066	15.1
70.78349	4.0
71.04993	7.0
73.12570	4.4
79.05498	27.7
81.03425	28.1
81.07059	50.0
83.04981	10.2
83.08620	15.4
85.02899	6.5
86.09711	30.2
87.10033	5.2
91.05444	21.2
93.07043	27.4
95.05002	8.5
95.08598	28.0
97.02911	12.0
97.03563	5.0
97.10167	9.2
98.20708	9.0
105.07021	18.8
107.08579	20.6
107.09226	4.8
109.10162	59.4
111.04498	7.0
117.07018	11.6
119.08588	19.4
121.10143	12.1
123.11674	4.5
124.99983	21.3
125.09645	9.6
129.05516	7.1
129.07005	6.7
131.08583	14.9
133.10172	12.1
135.08061	5.8
135.11720	6.0
137.09618	6.8
143.08578	5.8
145.10141	10.4
147.11678	6.7
153.09135	4.5
155.08539	5.9
159.11714	9.9
161.13254	5.8
161.29744	4.3
168.60782	5.0
172.20000	4.7
173.11713	17.1
173.13161	5.8
183.11700	5.7
184.07330	100.0
185.07687	15.3
185.13208	5.7
197.13254	4.8
215.12511	4.4
217.91025	4.7
222.35223	4.8
227.12640	8.9
229.14374	39.3
229.22527	4.7
245.13954	5.2
261.22040	5.1
287.29605	4.7
321.67105	4.4
335.25681	12.0
351.23004	6.4
369.24088	6.8
371.16824	7.2
373.18558	8.3
387.25339	6.5
461.29144	6.9
479.30341	8.7
489.35733	6.0
615.38947	8.2
633.39929	38.3
651.42059	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01881	4.2
55.05512	19.0
57.03439	12.2
57.07069	3.6
60.08168	2.4
65.03945	3.5
67.01370	2.2
67.05504	100.0
69.03436	22.0
69.07069	12.3
69.35712	18.3
71.01331	2.0
71.04982	7.6
71.08604	2.5
74.09816	1.8
79.05493	24.4
81.03419	34.9
81.07058	52.3
83.04986	17.2
83.08630	15.3
85.02900	6.7
85.06525	3.1
86.09719	6.5
87.04391	2.1
91.05478	24.3
93.07042	35.0
95.04974	6.7
95.08607	33.3
97.02875	12.6
97.06539	2.7
97.10170	11.5
99.04478	2.4
105.07027	18.6
107.04962	4.0
107.08587	21.0
109.02871	7.0
109.06530	5.9
109.10155	60.7
111.04447	7.4
111.08069	3.4
117.07003	11.6
119.08583	16.8
121.06495	3.1
121.10130	16.4
123.11712	3.3
125.00034	2.8
125.09656	8.3
127.03928	7.9
129.05489	4.6
129.07013	5.4
131.08586	15.2
132.13786	2.1
133.06493	3.7
133.10136	14.2
135.08040	5.0
135.11681	8.3
137.09628	6.7
137.43398	1.8
139.11163	2.2
141.07022	2.3
142.07793	2.3
143.08586	6.8
145.06508	3.5
145.10133	17.7
147.08072	2.8
147.11731	6.4
149.09604	3.2
149.13164	3.3
155.08517	4.0
155.10616	3.5
157.10161	8.0
159.08101	2.6
159.11720	7.8
161.13255	2.8
167.08536	3.7
169.10103	4.0
171.08118	2.0
171.11705	4.4
173.09662	2.9
173.10294	2.2
173.11739	17.1
173.13181	4.3
175.11153	2.7
177.12814	2.3
181.10179	2.4
183.11667	2.4
184.07332	31.4
185.07748	4.5
185.09578	2.8
185.13257	4.5
187.14867	3.0
189.11240	8.8
189.12846	3.9
197.13277	3.1
199.14861	5.1
207.11867	2.1
211.14827	3.2
227.12689	10.6
229.14320	34.2
245.13820	3.0
259.20538	3.2
261.22232	5.2
273.22220	2.5
299.15088	2.9
301.21600	3.4
327.23221	2.3
335.25876	6.8
337.27478	8.0
339.24054	2.1
341.24661	1.9
351.23233	6.6
353.25217	1.9
358.64032	1.9
369.24246	11.9
371.17126	3.5
373.18570	5.3
387.25327	7.3
405.26376	4.1
443.28067	4.5
461.28925	5.5
479.30078	6.5
489.35748	7.1
559.36414	2.7
597.37653	5.5
615.38873	10.0
633.39807	32.7
634.40601	2.2
651.41553	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	649.3946
Annotation	Rubuside H
Peak:m/z	Relative Intensity
53.03939	6.9
55.01869	4.9
55.05512	31.6
57.03429	15.0
57.07069	3.7
59.05006	4.2
61.02931	14.5
61.98690	2.4
63.95542	2.3
65.03929	4.0
66.92511	2.4
67.05505	98.9
69.03429	26.7
69.07076	18.4
69.86236	14.7
71.04993	9.4
73.02909	6.3
79.05495	40.2
81.03427	31.6
81.07060	46.3
83.04988	12.0
83.08630	18.8
85.02916	15.6
85.06548	5.7
91.03954	9.4
91.05490	40.7
93.07046	42.4
95.04984	11.9
95.08607	25.7
97.02901	20.9
97.06529	6.1
97.10181	16.3
97.27067	2.6
98.21477	3.8
99.04485	6.3
103.03951	2.7
105.07043	43.5
107.04953	4.5
107.08611	32.0
109.02886	5.5
109.06500	5.7
109.09453	4.3
109.10160	57.5
111.04432	6.0
111.08099	3.7
112.79948	1.9
113.05949	2.6
113.24834	2.7
115.05482	2.7
117.07038	25.1
119.08586	36.5
121.06469	3.4
121.10193	16.6
123.08052	5.8
123.11722	3.5
125.09621	15.2
126.03783	2.6
127.03920	10.2
128.06233	5.9
129.05469	6.1
129.07010	16.3
131.08577	36.8
133.06523	3.5
133.10149	25.0
135.08058	5.3
135.11685	9.0
137.09651	5.6
141.06985	5.3
142.07796	5.5
143.08563	19.5
145.06534	3.9
145.10124	31.0
147.08055	4.1
147.11716	14.4
149.09641	5.3
149.13220	2.5
151.07513	3.3
153.07045	4.4
155.08534	12.1
155.10657	3.7
157.06525	3.1
157.10129	20.9
159.08064	4.9
159.11703	19.3
161.09552	4.6
161.13246	12.8
163.14821	3.5
165.07059	2.7
167.08551	5.7
169.10115	12.2
171.08052	3.9
171.10432	2.2
171.11711	14.4
171.12938	2.2
173.09622	3.1
173.11755	15.9
173.13292	12.7
175.09735	2.5
175.11200	6.2
175.14897	4.3
177.12726	2.2
179.08601	2.9
181.10094	4.8
183.11694	7.7
184.07420	3.2
185.09660	4.0
185.13284	13.1
187.14833	5.9
189.11186	16.0
194.25970	2.8
195.11789	7.5
197.13254	8.1
199.11263	2.6
199.14816	7.5
201.12729	4.3
209.13280	6.1
211.14888	5.2
213.12846	3.1
213.16447	2.7
215.14241	3.4
223.14938	4.7
227.12671	11.6
229.14355	22.6
239.17986	2.8
241.19598	4.6
245.13873	9.4
247.08600	3.1
251.18027	3.0
253.19589	2.5
255.21187	3.0
259.07559	3.8
259.20560	16.3
261.22177	4.6
271.20450	4.2
273.22015	3.3
283.20490	2.4
285.22147	2.8
295.81671	2.3
297.22183	3.4
299.14990	2.8
301.21713	6.3
309.02341	2.3
313.21661	4.3
315.23270	3.7
317.21017	2.3
321.22333	3.1
333.24237	8.3
335.25845	3.9
349.21387	3.7
351.23285	6.3
367.22696	10.0
369.24307	7.3
371.16934	3.0
373.18484	7.6
375.25293	4.2
385.23798	6.1
387.25574	4.1
395.29388	4.2
397.12744	2.7
403.24805	3.1
441.26306	4.5
459.27350	3.4
469.33386	5.6
474.63083	2.5
477.28580	2.8
485.32489	3.9
487.34201	100.0
488.34366	5.5
503.33255	3.1
511.33826	3.2
526.63196	2.6
529.35382	4.0
533.33960	2.5
571.36121	2.8
575.14813	5.4
583.35608	4.5
585.38562	2.7
595.36536	21.0
613.37225	22.8
630.24640	2.8
631.38446	38.9
632.38623	4.8
649.26190	13.2
649.39209	40.5
650.39642	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	650.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05024	0.5
57.07066	0.3
58.06601	0.4
60.07881	0.4
60.08164	5.7
61.20853	0.2
67.05497	0.7
71.07376	2.5
71.31072	0.3
81.07062	0.4
86.09708	28.4
98.98476	2.4
100.81691	0.2
104.10755	2.2
105.07085	0.2
109.10163	0.7
125.00008	18.9
163.07494	0.2
166.02724	0.2
184.07343	100.0
185.07726	0.5
189.89890	0.2
266.77744	0.2
491.37286	0.6
509.38495	0.3
550.06567	0.2
605.99371	0.2
650.43933	10.4
651.44354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01869	0.7
55.05516	3.2
57.03440	0.8
57.07082	13.8
65.03927	0.6
67.05166	0.7
67.05509	8.5
69.03439	0.8
69.07081	3.6
71.04964	0.7
71.08635	10.8
79.05499	3.7
81.03423	30.0
81.07065	9.1
83.04972	1.2
83.08626	9.1
85.09713	0.7
85.10192	7.4
85.10680	0.2
91.05486	5.3
91.69135	0.3
92.29060	0.4
93.07056	3.3
95.04975	8.2
95.08615	8.1
97.02939	0.6
97.10174	2.3
98.20736	1.2
99.11761	0.4
105.07041	4.3
105.40284	0.4
107.04947	2.1
107.08589	1.3
109.06534	0.7
109.10175	3.9
111.04414	0.4
111.08096	1.4
111.11694	0.5
114.35720	0.4
115.05491	0.5
117.06960	0.6
119.08592	3.8
121.06536	0.9
121.10137	1.8
123.08045	0.6
123.11707	1.7
129.07022	3.1
131.08549	2.9
133.06514	1.5
133.10124	1.8
137.09645	0.4
137.13235	0.5
142.07788	0.8
147.08072	0.8
147.11682	2.6
149.09633	1.3
157.10149	3.4
165.12746	0.7
175.11148	2.5
193.12244	7.2
229.51447	0.5
235.76270	0.4
236.16469	5.1
239.23801	1.7
249.14856	2.0
258.53983	0.4
267.15982	1.4
282.28024	1.5
306.81128	0.3
313.27454	1.4
505.38919	100.0
506.39371	5.6
527.62061	0.4
548.22839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.0
60.26330	6.2
67.05499	29.2
69.07074	8.8
70.13198	34.8
75.18732	6.6
79.05492	26.7
81.03393	12.5
81.07063	45.2
81.42194	7.8
93.07048	39.5
94.06566	48.6
95.04957	7.0
95.08597	38.5
96.08141	10.4
98.20816	11.1
105.07044	24.5
110.09693	15.2
111.08096	12.2
122.09652	49.8
123.08091	29.2
128.10735	29.4
140.10712	100.0
158.93898	7.3
175.09076	8.4
178.58202	9.1
227.12921	9.4
248.46519	6.7
268.00903	7.4
274.42490	7.7
295.63583	8.4
338.33560	7.5
450.39426	18.9
468.40421	78.1
507.40771	13.0
526.47046	8.2
664.22485	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	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
56.96548	1.9
58.87468	0.5
61.02931	0.7
67.05498	2.8
67.60754	0.6
69.03439	0.6
70.21009	0.6
70.21343	3.4
71.57227	0.5
79.05476	2.2
81.03413	1.5
81.07053	1.4
82.06577	1.0
85.02901	1.7
91.05469	1.7
93.07055	4.6
94.06556	5.5
95.04972	1.9
95.07349	4.3
95.08617	1.8
96.07549	1.0
96.08126	12.1
97.06509	1.5
98.97552	1.2
103.05489	0.8
105.07046	1.1
107.04947	0.7
107.08617	0.7
108.04491	1.6
108.08113	10.1
108.08778	1.0
109.06477	0.7
110.09674	20.6
116.98578	1.2
117.03381	0.7
120.04469	0.9
120.08106	13.7
121.06484	0.7
121.10128	1.0
122.06037	6.3
122.09715	0.8
124.07576	3.7
128.24498	0.6
131.00188	1.3
131.08517	0.8
134.99698	0.8
136.07571	6.9
137.05951	1.3
138.09134	27.8
148.07550	5.1
149.01208	2.2
150.09120	2.9
152.07069	2.4
158.99759	0.8
160.03978	2.0
161.01157	0.7
162.05455	0.7
164.06989	0.9
166.08632	31.2
168.10187	2.4
172.03938	4.6
174.05455	0.8
174.09079	0.8
177.00739	1.2
184.07332	1.1
190.05005	2.3
197.10698	1.1
199.08586	0.9
202.68216	0.6
204.06555	5.0
209.10751	0.9
210.11540	1.2
211.08704	1.8
211.12350	2.5
212.09395	1.5
212.12950	0.7
213.10233	4.8
223.08632	7.7
223.12280	1.5
224.09442	1.5
225.10210	25.3
226.11018	5.1
227.11652	4.2
235.08690	1.5
236.09473	2.0
236.13040	0.7
237.06587	1.3
237.10231	14.3
237.13850	1.0
238.10916	8.4
239.08099	3.3
239.11784	14.5
240.12526	2.3
241.13396	1.7
249.10255	2.5
250.11011	2.8
251.08197	10.4
251.11821	12.3
252.08743	1.5
252.10109	0.8
252.12473	4.2
253.09767	10.8
253.13380	7.2
254.10451	4.5
254.13864	0.6
255.11258	1.7
255.14964	1.1
257.09250	0.7
261.10199	1.1
263.12006	3.1
264.08829	2.3
264.12527	1.5
265.09750	24.1
265.13351	13.0
266.10504	12.6
266.14020	2.2
267.11319	6.8
267.14633	1.2
268.12115	0.7
269.12915	2.3
270.10062	0.9
271.10782	4.4
271.14389	0.8
272.11438	0.8
273.12415	1.3
275.11600	1.0
275.20175	0.8
277.09872	1.5
277.13367	2.0
278.10541	1.3
279.11267	18.4
280.12128	1.6
281.12808	10.2
282.10028	2.0
282.13260	1.2
283.10822	13.4
283.14435	5.4
284.11407	3.4
285.12335	36.6
286.13141	5.1
287.13901	1.7
291.11282	1.5
292.12042	1.1
293.05453	2.1
293.12787	6.0
294.13669	1.1
295.10855	1.9
295.14481	3.5
296.11789	1.6
297.12357	13.8
298.13147	7.8
299.13855	14.6
299.16898	1.1
307.10635	3.5
308.11441	0.6
309.12299	7.8
310.13007	3.3
311.10434	0.7
311.13885	10.7
312.14471	0.8
313.15546	2.4
319.10864	0.7
321.12274	4.3
323.10239	1.5
324.10977	0.9
325.11807	12.6
325.15414	0.8
326.12686	3.2
327.13364	38.6
328.14084	1.2
331.15747	1.6
337.11841	3.9
338.12573	6.2
339.13367	8.8
340.13803	0.9
341.14993	1.1
343.13004	1.7
343.16815	0.7
344.13739	1.2
349.16943	4.0
355.13055	1.9
356.13446	1.0
357.14374	9.6
358.15179	2.6
359.16049	8.8
360.16763	1.0
367.18015	1.7
369.14368	1.7
370.15274	1.3
371.15967	3.4
372.16132	3.0
374.18781	0.9
378.18365	1.1
383.27765	1.0
385.16986	0.7
390.18463	0.7
400.16415	1.0
404.19815	1.1
414.17834	1.3
418.17316	4.5
430.17563	1.1
432.19275	2.9
444.19070	0.7
446.20822	2.0
448.17966	3.5
450.20245	5.2
451.20767	3.6
460.18787	2.6
462.20044	1.0
463.20822	0.9
464.21826	2.4
474.20096	4.7
478.19571	0.9
480.21158	3.3
487.18634	1.7
490.19772	6.0
491.20444	18.2
492.21262	61.0
493.21701	3.3
506.23340	0.9
509.21545	15.8
510.21729	0.9
522.22217	3.4
523.23120	100.0
524.23822	32.8
525.24084	1.5
567.25055	1.7
569.27112	1.1
585.26624	3.5
595.25488	4.2
613.26501	22.2
614.26794	1.4
645.27863	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42511	0.7
65.56083	0.7
67.05511	3.9
67.20811	0.7
69.30563	0.8
69.82682	0.8
70.10175	3.4
71.63189	0.8
79.05499	2.9
80.05042	0.8
81.05786	0.9
85.02942	0.8
89.71365	0.9
91.05479	3.0
91.24100	0.7
93.07043	6.8
94.06562	7.9
95.04982	1.7
95.07354	6.3
95.08627	0.7
96.08139	11.2
97.02883	0.8
97.06528	1.2
103.05452	0.9
108.04475	2.8
108.08118	8.7
109.08914	1.0
110.09684	23.3
120.08106	13.4
122.06034	11.4
133.10207	1.1
134.05988	1.9
136.07584	6.0
138.09137	31.2
148.07582	4.7
150.09177	2.8
152.07100	2.0
153.05510	0.9
154.16368	0.8
160.03964	8.0
164.07085	4.2
166.08644	34.4
172.03867	1.3
177.05469	1.7
178.05003	3.7
199.08661	2.2
204.06625	1.0
210.11417	0.9
211.08690	3.0
211.12289	2.4
212.09358	1.5
213.06624	1.1
213.10240	2.9
221.10789	1.0
222.11569	2.1
223.08672	3.5
223.12231	1.6
224.09294	1.2
225.10233	12.7
225.13814	1.3
226.10954	7.6
227.11775	3.0
235.08627	1.4
235.12270	2.4
236.09444	1.3
237.10219	6.8
237.13826	2.6
238.10995	4.3
239.08205	8.7
239.11736	12.4
240.08766	1.0
240.12480	5.0
241.09750	1.5
241.13359	1.8
247.12372	1.0
248.09462	1.9
249.10233	6.9
250.10982	7.8
251.08170	3.8
251.11795	14.7
252.08868	1.8
252.12595	4.6
253.09801	4.9
253.13345	10.7
254.10503	11.3
254.13884	1.3
255.10999	1.4
263.11841	11.7
264.12524	5.8
265.09799	5.5
265.13379	20.6
266.10541	3.1
266.13956	1.3
267.11307	6.2
267.14749	1.6
269.12817	0.9
271.10846	1.8
277.09756	2.5
278.10443	1.9
279.11362	8.3
280.12064	1.4
281.12839	13.1
282.10175	1.0
282.13504	3.1
283.10782	4.6
283.14432	5.6
284.11523	2.1
285.12384	11.0
286.13098	1.7
291.11368	2.7
292.12061	1.3
293.12778	6.8
294.13397	1.4
295.10797	3.4
295.14255	1.1
296.11523	4.0
297.12347	5.7
298.12955	1.9
299.13910	12.4
307.10770	1.2
308.11237	1.1
309.12332	64.7
310.12808	3.8
311.13892	19.2
313.11755	1.2
319.10883	2.4
320.11621	1.2
321.12256	4.4
325.11765	3.0
326.12482	1.4
327.13403	100.0
328.13644	4.9
337.11807	10.0
338.12582	4.0
339.13440	10.8
341.14914	3.8
344.13818	1.1
355.13113	1.1
357.14447	4.3
358.15234	2.4
359.16095	10.9
369.14447	32.1
370.15085	3.6
371.16010	30.7
372.16559	2.0
386.18942	0.9
404.19699	4.9
414.17996	1.1
416.19968	6.4
430.17511	5.2
432.19214	14.7
433.19330	1.3
442.17551	1.7
448.18649	34.3
449.19055	1.9
460.18704	45.9
461.18869	2.4
465.31589	1.1
474.20197	2.6
478.19748	1.0
480.21323	45.3
481.21472	3.1
492.21307	83.2
493.21609	5.2
506.22412	1.2
523.23065	2.2
524.23474	2.0
595.25085	3.6
613.26550	9.7
627.28174	1.2
673.01672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.6
56.80130	1.4
57.03431	4.9
57.07077	29.5
61.02929	12.4
67.05509	12.4
69.03423	2.5
69.07069	11.0
69.40157	1.6
71.08631	29.1
71.27874	4.1
72.15333	1.6
73.02910	6.8
73.31461	1.6
75.04495	2.2
79.05503	3.0
81.07057	15.9
83.08620	5.3
83.71600	1.8
85.02908	18.1
85.10186	14.0
86.09688	2.4
89.06030	2.0
91.03955	13.2
93.07043	4.5
95.08614	22.6
97.02888	7.8
97.10166	6.3
99.04456	1.9
105.07050	2.4
107.04964	2.0
107.08614	2.0
109.10155	14.4
111.11727	3.3
121.77507	2.2
123.11716	5.2
127.03889	7.7
129.06984	1.7
131.04790	2.0
131.08551	2.3
133.10106	2.0
137.05989	7.2
137.13269	4.0
145.04948	6.7
145.10136	2.1
157.07074	1.5
163.06024	9.7
163.07362	2.8
184.07329	3.2
211.20593	18.9
229.21602	4.3
238.75555	1.8
253.26811	1.8
285.24246	100.0
303.25305	45.0
303.28732	2.0
373.26129	1.8
447.29648	3.0
550.20862	2.4
581.24146	10.2
644.22614	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01877	7.9
55.05513	27.1
57.03445	11.3
57.07064	3.5
59.21948	1.6
65.03939	3.5
67.05508	62.5
69.03413	4.0
69.07068	24.8
69.64816	11.1
71.04990	3.5
79.05498	58.0
81.03419	4.2
81.07059	100.0
83.04981	9.1
83.08620	19.1
85.06544	4.0
91.05487	53.2
92.05827	1.7
93.07045	65.5
95.04965	15.4
95.08612	44.4
97.06526	9.0
97.10190	7.0
99.04475	1.6
99.08093	4.1
105.04517	1.7
105.07035	54.7
107.04938	8.0
107.08597	31.2
109.06522	11.4
109.10149	22.4
111.04459	1.6
111.08076	6.9
117.07021	19.6
119.08582	50.0
121.06522	4.5
121.10143	26.8
123.08052	11.5
123.11692	7.4
125.09646	8.2
128.06207	1.8
129.06993	10.0
130.07776	1.9
131.08578	28.7
133.08604	1.8
133.10141	39.4
135.08073	7.4
135.11693	22.7
137.09608	4.2
137.13287	1.9
139.11183	1.7
141.06924	2.1
142.07813	2.7
143.08559	11.6
144.09410	1.5
144.10735	1.4
145.06528	2.2
145.10129	28.8
147.08038	4.3
147.11697	34.1
149.09583	9.9
149.13269	10.6
151.11198	4.4
153.09114	1.6
153.12675	2.3
155.08521	5.0
156.09247	2.0
157.10162	12.7
159.11700	22.8
161.09608	3.6
161.13272	21.6
163.11159	10.3
163.14836	4.0
165.09108	2.0
165.12749	4.6
167.08467	2.8
169.10126	6.0
171.11668	10.9
173.09648	3.0
173.13274	12.7
175.11185	3.7
175.14853	10.9
177.12700	2.5
181.10078	3.5
181.12234	3.0
183.11723	6.3
185.13293	9.2
187.14827	5.9
189.11238	1.9
189.16405	1.6
193.10262	1.5
195.11757	3.1
197.13258	5.2
199.14790	4.5
201.16388	2.5
203.14319	1.7
205.12228	2.3
211.14890	2.1
213.16376	3.2
215.17865	1.6
217.15839	1.6
217.19443	2.1
221.13284	1.6
227.12775	3.3
231.21072	3.4
239.17892	3.3
241.19536	18.2
243.20915	1.7
253.14160	1.8
257.18945	5.5
259.20581	32.1
261.22076	3.6
263.20157	3.5
273.18564	7.8
275.20074	31.6
277.21606	3.9
289.21637	3.8
291.19614	13.0
293.21167	5.6
315.23218	5.1
333.24240	29.9
335.25809	14.8
337.23499	2.3
347.21896	2.0
349.23621	8.0
351.25272	4.3
353.24579	1.6
363.25452	4.3
365.23160	8.2
367.24893	15.4
407.29092	1.7
469.18530	2.0
487.34396	3.0
496.16968	1.8
497.36102	1.9
501.35577	2.3
515.37994	5.4
517.39069	2.1
527.37311	5.6
533.39703	4.1
551.40881	3.4
583.21625	6.0
607.43671	15.0
613.44055	1.7
625.34607	2.2
625.44672	37.4
643.23779	6.5
643.45776	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	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
53.97629	1.3
55.01880	1.1
63.73032	1.2
65.12608	1.2
65.29144	1.3
67.05507	3.5
74.44963	1.1
79.05491	2.9
91.05494	3.6
93.07042	7.1
94.06584	12.7
95.07343	7.8
96.08126	15.9
97.06534	2.4
98.20712	3.1
103.05463	2.2
108.04472	1.7
108.08112	12.1
109.08938	1.6
110.09689	23.0
120.08105	20.1
122.06022	12.9
123.98064	1.3
124.07613	2.7
132.04547	1.2
134.06039	2.2
136.07576	13.4
138.09138	34.5
146.05978	2.2
148.07576	8.7
150.09152	4.3
152.07097	6.5
156.23366	1.2
160.03957	7.4
164.07062	4.7
166.08635	43.4
172.03941	3.5
174.05647	1.5
174.09128	1.3
178.05008	4.2
190.04987	3.4
198.11429	1.6
199.08827	2.6
204.06587	5.5
210.11549	1.9
211.08649	4.0
211.12236	2.5
212.09512	2.0
213.10263	3.1
222.11433	1.7
223.08704	5.3
223.12357	2.9
224.09503	1.8
224.13193	1.5
225.10240	18.1
225.13712	1.7
226.11047	8.3
227.11749	6.2
229.38951	1.3
235.08664	3.6
235.12352	3.4
236.09293	2.2
237.10265	9.6
237.13889	2.7
238.10886	6.8
239.08241	6.9
239.11830	19.1
240.12567	6.8
241.13271	1.4
248.09346	2.6
249.10303	8.3
250.10924	7.3
251.08179	5.3
251.11816	21.9
252.09151	1.3
252.12532	6.3
253.09822	7.1
253.13394	11.2
254.10471	13.0
255.11150	1.7
262.10858	1.4
263.11810	17.1
264.09109	2.4
264.12589	9.1
265.09735	8.7
265.13339	24.1
266.10501	5.7
266.14017	3.0
267.11273	11.6
267.14285	2.1
269.12860	3.1
271.10751	2.7
273.12469	1.8
277.09824	3.0
278.10443	3.4
279.11313	13.9
280.11780	2.8
281.12823	14.1
282.10001	1.5
282.13632	3.8
283.10797	4.7
283.14355	4.7
284.11386	3.5
285.12372	17.9
286.13049	3.2
291.11234	5.8
292.11914	1.6
293.09485	2.6
293.12881	7.8
295.10861	2.5
296.11398	7.8
297.12369	14.7
298.12900	2.9
299.13925	17.0
309.12350	58.4
310.12988	5.0
311.10287	1.6
311.13873	23.5
313.11804	1.8
319.10901	3.4
321.12378	7.8
323.10297	3.9
324.10727	2.0
325.11832	7.4
327.13403	99.2
328.13763	3.1
337.11826	19.7
338.12436	5.9
339.13382	11.1
341.15063	7.4
357.14398	6.3
358.15280	3.0
359.16013	15.2
369.14456	42.1
370.15106	3.5
371.16043	30.1
372.16565	3.4
402.18079	2.3
404.19635	5.3
416.19724	6.8
418.17554	1.6
430.17426	7.6
432.19189	15.9
442.17407	3.1
448.18631	40.6
449.19385	5.2
450.20221	3.8
460.18698	42.6
461.19113	2.5
462.20139	1.8
465.23151	1.3
474.19974	6.2
476.18033	2.1
477.18756	2.0
478.19287	1.7
480.21344	58.2
481.21597	3.0
490.19629	9.7
491.20282	3.7
492.21295	100.0
493.21497	5.8
522.22198	9.2
523.23059	8.7
524.23492	6.2
595.25513	6.1
613.26666	25.1
614.26556	1.7
627.27649	2.5
645.28778	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	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
55.01859	14.6
55.05302	3.7
55.05515	40.7
57.03440	39.9
57.07060	5.9
58.81451	4.2
65.03939	6.6
65.74374	3.9
67.05503	100.0
67.69569	3.6
69.07071	34.3
71.04969	10.0
71.59817	6.5
71.60187	5.0
79.05499	77.7
81.06583	5.9
81.07058	84.3
83.04977	14.0
83.08614	20.4
85.06546	8.4
89.92335	4.1
91.05476	66.8
93.07046	87.5
95.04958	20.4
95.08614	58.3
97.06541	21.8
97.10143	7.9
99.08105	25.1
103.05487	4.7
105.07029	60.0
107.04941	9.7
107.08595	40.5
109.06514	17.9
109.10141	25.7
111.08095	7.3
113.06033	4.2
115.07595	7.4
117.07007	25.2
119.08578	43.6
121.06506	11.4
121.10138	35.8
123.08083	8.6
123.11717	7.9
125.09605	7.6
127.07571	10.0
128.06259	5.5
129.06998	14.8
131.08571	42.9
133.06514	8.4
133.10130	32.2
135.08057	13.3
135.11690	18.8
137.09569	9.8
143.08566	16.2
145.10146	29.0
147.08040	11.8
147.11674	14.5
149.09587	6.8
149.13298	4.3
150.95108	4.3
155.08597	8.2
155.10695	7.5
157.10117	17.6
159.07915	4.1
159.11682	19.6
161.09555	5.0
161.13196	13.8
163.11195	4.5
167.08537	4.6
169.10172	9.3
171.11690	17.4
173.13264	10.1
175.14850	7.6
183.11781	12.4
185.13304	9.3
187.11223	5.0
187.14722	5.8
189.11243	5.4
197.13194	6.1
199.14835	5.0
201.12660	3.9
209.13326	4.8
217.15846	19.7
219.17596	4.8
227.17914	4.3
233.15381	5.5
235.16953	4.4
245.19214	5.1
249.16100	4.5
259.20636	8.1
273.18506	29.9
275.20013	6.9
291.19574	27.1
293.21146	9.2
333.24237	7.5
335.25894	48.7
347.22021	12.2
349.23840	3.8
365.23334	18.5
367.24860	5.9
501.36203	5.1
515.39246	4.7
533.39215	5.6
539.28479	5.2
541.38959	6.8
545.38617	5.7
551.40491	7.5
607.43414	11.9
625.44568	44.5
643.46094	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.7
55.01873	11.8
55.05515	41.5
57.03444	32.9
57.07078	4.9
59.86855	3.4
65.03957	7.1
67.05508	99.6
69.03410	4.7
69.07066	37.0
70.72197	12.6
71.04987	9.6
71.41698	2.9
79.04068	4.1
79.05492	83.1
79.08833	3.2
81.03404	4.0
81.07060	100.0
83.04984	12.9
83.08624	20.2
85.02909	4.1
85.06561	8.7
91.05488	69.9
93.07050	85.6
95.04959	19.3
95.08610	73.2
97.06538	22.0
97.10165	12.7
99.08096	42.9
105.07035	66.7
107.04980	11.5
107.08604	48.3
109.06555	17.7
109.10156	23.0
111.04433	3.8
111.08080	8.0
113.06001	3.5
115.05483	4.1
115.07584	10.9
117.07016	24.9
118.46803	3.6
119.08589	50.1
121.06509	11.5
121.10151	33.0
123.08081	14.6
123.11726	4.9
125.09620	6.8
127.07575	12.2
127.33360	3.7
128.06244	4.3
129.06985	16.6
131.08571	44.0
133.06506	7.5
133.10120	38.2
135.08086	14.8
135.11688	17.0
137.09558	8.4
141.06960	6.8
142.07729	3.4
143.08577	12.0
145.10146	27.3
147.08087	7.1
147.11687	18.4
149.09685	6.6
149.13266	9.4
153.09166	4.0
155.08598	4.2
155.10730	4.5
156.09317	3.7
157.10120	20.3
159.11678	18.1
161.09607	9.9
161.13338	8.6
163.11185	7.6
167.08618	4.7
169.10127	8.2
170.59869	3.6
171.11674	10.3
173.13293	14.7
175.11162	4.2
181.12343	3.4
183.11671	6.7
184.25401	3.2
185.13374	7.3
187.14911	6.1
189.11313	4.1
193.35130	3.7
195.11679	3.8
197.13289	4.7
199.11121	3.6
213.16284	4.1
217.15858	23.9
235.17104	3.9
241.19489	4.8
255.17665	5.4
259.20621	11.6
261.22186	7.7
263.20227	3.9
273.18481	40.3
275.20068	7.9
291.19580	38.8
293.21078	6.2
298.33246	4.0
309.20871	4.8
333.24225	11.4
335.25839	56.4
347.22089	11.9
365.23361	19.5
391.28778	4.5
511.95502	3.7
515.38928	4.0
533.39734	6.5
541.38678	4.8
551.40619	6.7
585.41583	4.8
597.44421	5.1
607.43213	15.0
625.44598	46.3
643.45734	63.4
644.46088	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	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03949	3.3
55.01875	9.7
55.05513	14.3
57.03439	17.9
57.07060	1.2
59.32454	0.5
65.03945	4.4
67.05506	55.1
68.05817	0.6
69.03413	2.0
69.06722	0.7
69.07068	9.6
70.75662	1.8
71.04989	3.1
77.03917	1.2
79.05495	37.6
79.21704	0.7
81.03420	2.4
81.07059	54.0
82.07410	0.9
82.83988	0.5
83.04985	4.0
83.08624	7.1
85.02893	1.0
85.06555	10.0
90.83334	0.6
91.05483	29.2
93.07048	32.9
95.04971	43.7
95.08605	27.0
97.06522	4.8
97.10157	3.2
99.04463	1.0
99.08105	1.1
103.05457	1.1
105.04480	1.2
105.07030	20.6
107.04961	8.6
107.08597	20.2
107.18794	0.6
109.06524	58.8
109.10157	9.1
111.04412	1.8
111.08076	2.4
113.06013	24.1
115.05441	2.2
117.07027	12.9
119.08579	16.5
121.06534	5.8
121.10152	11.3
123.08078	3.6
123.11705	1.3
125.05848	0.8
125.09601	1.7
128.06242	1.6
129.07019	6.6
131.08568	17.1
133.06493	2.5
133.10132	9.1
135.08058	40.7
135.11697	9.3
137.05991	0.8
137.09596	2.5
137.13271	0.7
141.07024	1.2
142.07791	1.1
143.08557	8.6
145.06496	1.1
145.09053	0.8
145.10135	11.3
147.08049	7.8
147.11691	4.3
149.06256	0.6
149.09641	5.7
149.13251	3.9
153.12741	0.7
155.08578	1.6
157.10159	5.7
159.08060	2.9
159.11694	6.7
161.09628	7.7
161.13272	2.2
163.07399	0.7
163.11192	2.8
163.14890	0.7
165.09077	1.4
165.12904	0.6
169.10124	2.1
171.11716	4.2
173.09604	2.0
173.13261	2.7
175.11191	1.9
175.14774	1.0
177.12747	3.1
179.14304	1.0
181.12180	0.9
183.11707	2.1
184.32692	0.6
185.09663	0.6
185.13217	2.4
187.11224	1.4
187.14864	1.2
189.11172	1.7
189.12755	1.3
189.16455	0.6
195.11765	1.3
195.13823	2.0
199.14828	2.2
201.12776	2.0
217.15892	9.7
218.56744	0.6
219.13802	0.7
223.13208	0.8
227.12819	1.2
227.17879	1.9
233.15370	1.9
237.16425	1.2
245.19022	2.1
249.14764	1.2
255.17448	2.5
261.22198	1.6
263.20322	0.6
273.18488	33.6
275.20166	1.3
279.15829	0.9
291.19550	100.0
292.19971	1.0
309.20581	2.6
329.84436	0.6
335.25809	38.0
347.22177	6.9
355.07205	0.7
365.23221	11.2
567.40326	1.2
598.56415	0.6
607.43506	5.0
625.44604	34.7
626.44006	0.9
643.45319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
53.07914	1.5
53.88802	1.4
55.01881	11.9
55.05513	36.0
57.03452	8.1
57.07078	2.0
59.03321	1.2
65.03946	4.6
67.05508	68.5
69.03429	4.6
69.07069	21.3
71.04984	4.1
77.03933	1.4
79.05497	62.9
81.03420	7.9
81.07059	100.0
83.04984	18.4
83.08615	13.2
85.02912	3.9
85.06548	2.6
91.04903	1.6
91.05480	40.0
93.07045	59.3
95.04976	17.8
95.08611	39.9
97.06550	10.2
97.10180	16.5
98.81596	1.4
99.04454	4.0
99.08096	3.3
103.86026	1.7
105.07029	32.8
107.04961	6.8
107.08601	35.3
107.09297	2.7
109.05871	1.2
109.06502	8.1
109.10162	16.3
111.04444	23.3
111.08089	9.3
113.06002	2.0
115.05453	2.4
116.53776	1.2
117.07014	12.7
119.04977	2.0
119.08587	27.8
121.06494	8.6
121.10149	26.1
123.04528	1.4
123.08068	28.8
123.11732	4.0
125.09651	12.5
127.07524	1.5
129.05441	2.2
129.06998	5.8
131.08572	19.9
133.10133	13.3
135.08070	6.2
135.11699	18.7
137.09590	7.9
137.13264	1.6
139.11118	2.1
143.08574	5.6
145.10146	19.3
147.08041	8.9
147.11700	11.3
149.09659	4.8
149.13272	5.9
151.11125	1.7
151.15919	1.7
153.09111	4.5
153.12798	8.8
157.10150	6.4
159.08069	1.7
159.11729	7.9
161.09625	3.7
161.13274	4.2
163.11188	14.1
163.14894	1.8
165.09096	3.0
167.27519	1.3
169.10178	3.1
171.10324	2.1
171.11732	5.5
173.09639	3.1
173.13264	3.8
175.11212	3.5
175.14746	3.2
179.10480	1.6
181.10616	1.9
181.12238	12.6
185.13257	3.7
187.14732	1.6
189.11215	23.9
189.12654	1.3
191.10657	8.6
193.12254	2.9
195.11862	1.5
197.13242	1.7
199.14928	3.3
201.12842	1.5
201.50749	1.7
205.09152	1.7
209.11642	2.0
210.67668	1.4
213.16521	2.0
223.13246	8.4
227.12802	19.0
227.18001	2.0
229.27309	2.0
231.17551	1.5
255.17439	3.3
261.22211	5.0
273.18478	23.5
275.20129	1.7
283.15317	2.2
290.98001	1.4
291.19525	61.9
292.19928	1.8
309.20566	5.6
335.25778	34.5
335.29764	1.7
347.22293	4.1
363.25720	1.4
365.23230	21.1
457.33463	2.1
469.19159	2.1
505.34708	2.2
513.17401	2.7
607.43567	3.6
615.24628	1.9
625.44659	25.9
643.23535	6.9
643.45685	34.9
644.44910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01869	8.1
55.05515	29.1
57.03444	15.4
57.07078	5.8
65.03947	7.4
67.05507	100.0
69.03455	2.0
69.06723	2.6
69.07071	32.4
71.04990	5.8
74.50987	1.7
79.05496	67.2
81.03419	4.7
81.07060	96.6
82.07378	2.2
83.04987	9.6
83.08621	18.5
85.06546	5.7
91.05481	68.4
91.70394	1.6
93.07049	72.2
95.04961	14.3
95.08611	66.5
97.05988	1.8
97.06512	11.2
97.10189	13.5
99.08094	3.1
103.05486	3.5
105.07033	78.6
106.07391	1.9
107.04967	7.0
107.08595	41.3
109.06515	9.6
109.10172	38.5
111.08083	5.1
111.72775	1.7
115.05453	3.6
117.07011	25.8
119.08588	62.7
121.06521	6.3
121.10143	33.5
123.08086	8.0
123.11710	7.0
125.09630	7.2
128.06149	3.4
129.07016	15.6
130.07851	2.7
131.08569	32.5
133.06528	2.3
133.10130	46.5
135.08054	9.5
135.11708	19.7
137.09660	5.1
137.13235	3.3
139.11108	3.4
141.07018	3.7
142.07826	3.1
143.08566	14.8
145.10118	35.3
147.08043	2.9
147.11694	44.3
149.09615	9.4
149.13257	11.6
151.11180	2.1
153.09195	1.9
155.08571	5.6
157.10130	13.0
159.11691	27.8
161.09668	3.4
161.13264	26.6
163.11201	5.3
163.14816	4.0
165.12730	5.8
169.10109	8.7
171.11697	18.2
173.09735	2.3
173.11780	6.9
173.13284	17.3
175.11194	3.5
175.14841	13.4
177.04691	1.7
177.12794	5.1
181.10088	2.2
183.11697	7.0
184.07390	6.2
185.11862	2.0
185.13264	10.8
187.11276	2.4
187.14862	7.6
189.11208	4.5
189.12805	2.7
191.14299	2.3
193.12283	3.1
193.16232	1.9
195.11758	3.3
197.13258	6.1
199.14827	8.8
201.16385	2.5
203.14326	2.2
207.11801	2.9
209.13283	2.4
211.14763	3.5
213.16414	5.0
215.18025	3.4
227.12848	4.4
227.18117	2.3
229.14275	3.4
229.19466	2.9
231.21094	4.9
233.13103	1.9
239.17993	5.5
241.19536	28.3
247.20526	2.4
251.99553	2.1
257.18982	9.0
259.20581	59.2
273.18558	5.9
275.17261	3.7
275.20068	46.5
276.20355	2.2
277.21677	3.9
289.21771	1.9
291.19598	3.1
293.21176	11.8
315.23285	5.4
333.24231	53.7
335.25854	6.8
347.06006	2.4
349.23819	10.4
351.25229	4.5
365.06985	4.8
365.23236	3.7
367.24814	45.0
367.29446	3.7
446.29800	5.7
453.23233	1.9
464.31244	2.4
515.37756	4.5
533.39764	7.0
551.40729	6.5
569.41913	2.5
607.43726	16.9
625.44556	35.6
643.45868	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96105	0.4
53.03951	0.4
55.01877	1.0
55.05507	0.9
65.03945	1.0
67.05494	1.2
68.42811	0.4
69.03422	0.9
69.07069	0.6
69.34181	3.6
69.89295	0.4
70.06595	0.5
79.05485	1.8
80.05032	0.9
81.03421	1.1
81.05798	0.6
81.07058	1.4
82.06573	1.6
83.04977	0.4
85.02915	1.0
89.03925	0.7
91.05477	1.7
92.05013	0.6
93.05812	0.6
93.07034	3.7
94.06557	5.9
95.05025	1.0
95.07343	3.0
95.08620	0.6
96.08124	7.2
96.38441	0.4
97.02908	0.5
97.06558	1.3
100.11258	0.8
103.05481	0.6
105.07014	0.7
106.06564	1.4
108.04469	2.7
108.07421	0.8
108.08117	9.5
109.02909	0.5
109.10178	0.6
110.08913	0.6
110.09675	9.7
116.04956	2.1
117.03407	0.5
118.06580	0.7
119.04941	0.4
119.08582	0.6
120.04474	4.1
120.08101	7.0
121.06479	0.5
121.10166	0.4
122.06012	4.0
123.04509	0.5
123.06797	1.0
124.07597	7.0
127.03893	0.8
131.08578	0.5
132.04488	0.5
133.10100	0.6
134.06000	3.6
136.07581	10.0
137.05968	0.8
138.05505	0.6
138.09129	10.9
144.04472	4.3
145.02866	1.3
146.06021	5.3
147.04401	0.9
148.07552	2.9
150.05533	0.5
150.89842	0.4
152.07054	2.0
158.09715	0.8
160.03926	2.6
160.07655	0.4
162.05472	3.7
164.07112	2.7
165.09149	1.9
166.08630	13.4
167.07167	0.8
172.03931	18.6
172.07597	0.6
173.13205	0.4
174.05539	1.3
176.07079	2.7
177.05382	2.4
178.04886	0.7
182.09673	1.2
183.09158	0.9
184.07385	0.8
184.10017	1.3
186.05531	0.5
186.09210	0.5
190.04980	20.8
191.07039	0.9
192.06676	0.5
195.09241	0.7
196.09923	0.7
197.07030	0.6
197.10750	2.7
199.08658	0.7
199.12344	2.4
204.06561	34.7
208.09903	0.5
209.10782	1.4
210.09293	1.2
210.11639	0.6
211.08696	3.9
211.12305	1.2
212.07137	0.4
212.09421	1.6
213.10274	1.7
215.11919	0.4
221.10620	0.5
222.07790	0.4
223.08717	1.4
223.12376	1.0
224.09520	1.7
225.10239	9.1
226.10982	1.5
227.11766	14.4
229.13350	0.7
233.10767	0.5
235.08727	1.0
236.09378	2.6
237.10205	4.6
237.13943	0.5
238.11034	1.3
239.11845	3.6
241.09755	1.8
241.13370	1.1
243.11382	0.5
245.12793	0.6
249.10173	2.7
250.11099	1.5
251.08240	1.0
251.11789	4.4
252.08975	1.3
253.09753	6.0
253.13799	0.5
254.10522	0.9
255.11378	1.8
257.12845	0.9
261.10385	0.7
263.05759	0.5
263.08325	1.8
263.11746	2.1
264.08932	3.1
265.09732	2.3
266.10614	1.0
267.11307	3.1
269.09879	1.0
269.12836	18.1
270.10074	0.6
271.10754	9.1
273.12393	6.4
277.09717	2.3
278.10486	0.9
279.11307	3.9
281.09302	1.0
281.12833	1.4
283.10745	5.9
284.11511	4.3
285.12338	5.7
286.13174	1.2
287.13889	16.2
289.13281	0.5
291.11343	1.1
293.12988	0.9
294.10062	0.7
295.10834	1.4
296.11734	0.4
297.12341	7.9
299.14047	5.0
300.11484	0.9
301.12488	0.5
302.13138	0.5
305.09341	0.8
307.10831	1.5
309.12280	0.7
310.13757	0.5
311.10678	1.0
311.14365	0.8
312.15057	1.3
313.12576	2.3
314.13058	2.2
315.13821	0.9
316.10947	1.0
316.14505	1.8
319.10742	0.7
321.12521	1.5
323.10217	7.1
325.11807	21.3
326.13052	1.3
326.16602	1.2
327.13748	3.2
327.17264	0.8
328.10797	3.2
328.14545	2.6
329.15155	1.3
330.12473	1.3
330.16113	1.7
331.16812	1.3
335.10349	0.5
337.11935	1.0
339.14127	1.0
340.10831	0.5
340.14554	1.8
341.11679	2.0
341.15619	0.9
342.12375	6.7
342.16177	1.3
343.12979	10.7
344.14078	1.4
344.17807	0.5
346.15424	0.7
352.14658	0.7
353.12613	1.0
354.12640	1.3
354.16275	1.2
355.13153	2.5
356.13971	5.9
356.17889	0.7
357.14505	9.3
358.15408	4.2
365.11322	1.6
366.16205	0.7
367.13654	1.5
369.11081	1.1
369.15637	1.2
370.11685	0.8
370.15573	5.1
371.16440	1.0
372.17126	1.2
374.18503	0.5
378.18085	1.2
380.14160	1.2
382.11768	4.0
383.12488	2.0
384.13196	5.0
384.17322	0.4
385.14120	2.2
386.14401	3.0
386.19351	2.4
387.15903	0.7
388.16550	1.4
390.18137	3.4
394.15567	1.4
396.17523	0.7
397.15356	1.8
398.10541	0.4
398.14987	19.8
399.15796	24.8
400.16489	2.3
402.18359	1.3
404.16019	5.0
412.16687	2.8
413.15045	0.5
414.18304	5.0
416.16064	17.4
422.16986	2.7
428.15897	3.6
430.17572	3.0
440.16028	6.6
441.14331	2.7
446.17166	18.1
448.18735	1.6
451.10916	0.8
458.17105	42.4
459.17490	0.8
460.18521	1.2
476.18393	1.0
478.19803	1.9
490.19687	9.1
520.20862	1.5
522.22241	0.6
551.23267	1.0
565.24274	2.5
567.26074	2.7
569.23920	8.0
583.25745	2.7
593.24005	9.4
594.22498	0.8
611.24988	100.0
612.25446	2.1
625.25812	0.7
626.25159	4.7
642.45502	1.7
643.17621	0.9
643.26349	2.5
643.45093	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16890	0.8
60.39441	1.0
62.18311	0.9
65.03951	1.7
66.80968	0.9
67.05507	1.9
67.56850	0.8
69.03419	2.3
69.07067	2.3
70.06576	1.0
79.05503	3.0
80.05015	1.4
81.03411	1.4
81.07053	2.8
82.06592	1.3
85.02897	3.5
86.22953	1.1
90.37006	1.1
91.05458	2.4
92.04991	1.8
93.05775	0.9
93.07053	2.8
94.06547	5.4
95.05017	1.8
95.07340	2.0
95.08607	2.5
96.08132	5.8
97.02891	1.3
97.06541	1.8
103.05474	1.1
105.07011	2.0
106.06560	2.2
107.08592	1.6
108.04493	2.1
108.08135	7.6
109.02908	2.2
109.10144	1.3
110.09688	8.7
116.04977	1.6
120.04456	3.3
120.08092	6.3
121.06526	1.9
122.06042	5.2
124.07600	5.6
127.03912	1.6
134.06003	2.6
136.07570	8.9
137.06030	2.1
138.09149	11.0
144.04453	4.9
145.02890	2.0
146.05995	5.2
148.07594	3.1
152.07088	1.0
160.03932	3.7
162.05504	3.9
163.03925	1.3
164.07089	2.5
165.09059	5.0
166.08597	11.0
170.93869	1.1
172.03926	17.4
176.07086	2.8
177.05421	2.9
182.09740	1.1
184.07280	1.5
190.04973	12.5
193.60118	1.0
197.10764	1.3
199.08655	1.1
199.12305	1.4
204.06560	31.6
210.09212	2.1
211.08707	3.6
212.09418	2.0
224.09430	2.3
225.10287	8.4
227.11783	12.2
236.09404	2.2
237.10309	3.2
238.10951	2.6
239.11829	3.7
241.09988	1.1
249.10310	2.5
250.11107	1.2
251.11832	3.0
253.09642	5.7
253.13519	1.4
255.11307	1.9
257.12704	1.3
261.10123	1.1
263.08084	1.3
263.11780	1.6
264.08945	2.4
264.18030	1.0
265.09756	2.4
267.11191	3.4
269.12866	17.5
271.10733	7.8
273.12430	5.7
277.09744	2.4
279.11279	3.1
283.10706	6.1
284.11526	4.0
285.12494	6.2
287.13879	16.1
293.09427	1.4
295.10779	2.7
296.11478	1.5
297.12332	5.8
299.14108	5.4
307.10822	2.2
309.12607	1.5
313.12415	1.9
314.12958	2.9
315.13632	1.5
316.14288	1.9
321.12003	1.2
322.00406	1.1
323.10120	6.0
325.11761	19.1
327.13440	3.9
327.17435	1.5
328.10794	3.2
328.14362	2.3
329.15094	1.2
330.16049	2.4
331.16824	1.5
339.13721	1.7
341.15524	1.3
342.12415	6.3
342.15341	1.5
342.16101	2.1
343.12888	10.6
349.11826	1.2
353.13266	1.1
354.12604	1.6
355.13525	2.1
356.13898	6.5
357.14517	9.2
358.15533	3.9
367.13629	1.8
367.22070	1.1
369.15533	1.4
370.15646	5.1
376.10336	1.3
378.18198	1.6
379.09579	3.5
380.10052	3.8
381.10025	5.6
382.11792	3.7
383.12573	2.4
384.13553	4.0
385.14474	2.1
386.14883	2.7
386.19104	1.5
390.17838	1.6
394.15735	1.6
397.15112	1.2
398.15027	15.7
399.15836	22.0
400.16714	2.3
404.16278	5.1
412.16434	2.1
414.18082	3.4
416.15970	15.3
421.10645	4.0
422.11026	7.0
422.17062	1.7
423.11307	8.5
428.15976	2.5
430.17517	2.4
440.15997	4.9
441.14389	1.4
446.17075	15.8
448.18631	1.7
458.17102	39.0
459.17459	1.7
476.18243	1.8
478.19510	3.3
490.19687	8.0
520.20770	4.0
522.22247	2.1
567.25995	3.7
569.23608	6.3
583.25238	2.8
593.23767	9.7
594.22406	1.3
597.52533	1.2
611.25018	100.0
612.25006	3.9
626.24860	3.9
643.17053	1.3
643.28235	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83435	0.3
54.28246	0.4
55.01851	0.5
55.05517	0.3
62.08751	0.3
65.03940	0.9
67.05490	0.6
69.03453	0.3
69.07082	0.4
70.33315	1.3
73.14407	0.3
77.00881	0.3
79.05485	1.6
80.05023	0.6
81.03413	0.4
81.07063	0.5
82.06590	1.1
89.03920	0.5
91.05478	1.5
92.05010	1.0
93.05777	0.8
93.07043	2.2
94.06565	4.9
95.04978	0.7
95.07343	2.4
95.08637	0.3
96.08131	6.2
97.06569	0.4
103.05468	0.7
106.06602	1.6
108.04482	2.0
108.08114	9.2
108.08844	0.5
109.06517	0.4
110.06042	0.4
110.09679	7.9
110.10388	0.6
115.05445	0.4
116.04962	2.0
118.06544	0.7
120.04477	3.9
120.08101	7.4
122.06037	4.3
124.07581	6.8
132.04500	0.4
132.08235	0.4
134.06007	3.2
136.07579	7.9
137.05989	0.6
138.05504	0.5
138.09132	10.2
144.04446	4.1
144.08087	0.6
145.02780	0.4
146.06010	5.9
148.07578	3.3
150.05663	0.3
152.07106	1.5
158.09718	0.5
160.03957	3.4
162.05510	4.0
164.07066	1.7
166.08644	10.8
167.07257	0.4
172.03929	22.5
172.07576	1.3
174.05522	1.5
174.09134	0.4
176.07045	3.7
177.05493	0.8
178.05017	0.7
180.08093	0.6
181.07678	0.3
182.08366	0.4
182.09737	0.8
184.07481	0.5
184.09906	0.8
185.07240	0.4
185.10728	0.5
186.05515	0.6
186.09224	0.4
187.08667	0.5
188.07095	0.4
190.04987	17.0
195.09207	0.9
196.09959	0.7
197.07106	0.6
197.10695	2.1
198.09306	0.7
198.11398	0.5
199.08658	0.7
199.12331	1.8
204.06554	35.9
205.06964	0.6
209.10793	1.2
210.09395	1.7
211.08624	3.5
211.12277	0.9
212.09325	2.2
213.10318	1.0
214.11052	0.4
215.11722	0.5
221.10718	0.5
222.11844	0.3
223.08670	1.4
223.12283	0.9
224.09476	1.4
225.06773	0.4
225.10205	8.8
226.08870	0.4
226.11014	1.3
227.11783	14.8
228.12367	0.4
229.13371	0.6
232.16537	0.3
234.11682	0.4
235.08705	0.6
236.09390	2.3
237.10262	2.7
238.07416	0.4
238.11069	1.4
239.11739	3.9
240.12578	0.4
241.09750	1.9
241.13400	1.4
245.12769	0.4
249.10207	1.9
250.11023	0.6
251.08228	1.1
251.11839	2.9
252.08829	0.7
253.09692	6.1
253.13353	0.9
253.20198	0.4
254.10440	0.9
255.11320	1.6
257.12830	0.7
261.10211	0.5
262.08514	0.5
262.10986	0.5
263.08261	1.1
263.11823	0.6
264.08975	2.6
265.09674	1.9
266.10608	0.6
267.08572	0.4
267.11328	3.3
269.12848	16.3
270.09995	0.8
270.13141	0.6
271.10773	10.1
271.13815	0.5
272.11111	0.4
273.12308	4.5
273.14850	0.5
277.09714	2.2
278.10434	0.7
279.11246	3.1
281.09521	0.7
281.12839	1.1
283.10718	5.6
284.11591	4.5
285.12424	5.5
286.13205	1.1
287.13901	15.9
289.13498	0.9
291.11209	0.9
293.09207	0.7
294.10052	0.7
295.10858	1.2
296.11893	0.6
297.12335	8.2
299.13992	5.6
300.11969	0.4
300.15155	0.7
301.12476	0.5
302.13104	0.8
305.09323	0.7
307.10895	1.4
309.12555	0.6
311.10657	0.4
312.14999	1.3
313.12854	1.5
314.12891	2.0
315.13712	1.6
316.10876	1.0
316.14575	1.9
317.15344	0.8
321.08774	0.6
321.12292	0.9
323.10260	7.2
324.11102	0.6
325.11795	21.4
326.13010	0.9
326.16650	1.6
327.13596	3.7
327.17410	0.8
328.10889	3.2
328.14481	2.5
329.11462	0.7
329.15131	1.1
330.12384	1.4
330.16074	1.9
330.19583	0.4
331.16852	1.8
333.19193	2.5
338.13116	0.5
339.13751	1.0
340.10831	0.7
340.14569	0.6
341.11719	1.8
341.15503	0.6
342.12341	6.9
342.16089	1.0
343.12906	8.7
344.13818	0.9
344.17535	0.4
351.13834	0.4
352.14481	0.5
353.12573	0.4
354.12561	0.9
354.16391	0.8
355.13013	2.3
356.13943	5.5
357.14499	10.2
357.18796	0.6
358.15463	3.9
365.11349	0.7
366.16443	0.5
367.13278	1.0
368.13956	0.8
368.17889	0.6
369.10822	0.8
369.15057	0.9
370.11618	0.9
370.15628	4.6
371.16141	1.1
372.13177	0.6
372.17157	1.1
374.18799	0.5
376.16571	0.5
378.18243	1.6
380.14175	0.5
382.11719	4.0
383.12405	2.4
384.13092	3.8
384.16721	0.7
385.13974	2.4
386.14297	2.2
386.19199	2.6
387.15515	0.5
388.16586	0.9
390.18115	3.0
394.15759	0.9
396.17377	0.7
397.15448	1.1
398.14996	18.6
399.15771	26.8
400.16510	2.4
401.13571	0.5
402.18256	1.0
404.16046	5.6
412.16537	2.2
414.18097	5.2
416.16028	18.7
417.16544	1.3
422.17181	2.9
428.15851	3.1
430.17706	3.1
431.17999	0.5
440.15909	5.6
441.16473	0.4
446.10861	0.7
446.17099	12.0
448.18857	0.9
458.17120	30.8
459.17471	0.9
460.18823	0.6
472.19025	0.6
478.19888	1.8
490.19717	8.7
523.23572	0.7
541.24799	0.5
552.24030	0.4
565.24463	2.4
567.26154	2.5
569.23969	6.8
583.25458	2.6
585.75800	0.4
593.24023	7.5
611.24982	100.0
612.25134	4.0
625.26166	0.5
643.26971	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.05510	3.3
57.03431	1.6
67.05501	5.7
69.07067	4.0
69.43246	8.1
71.04992	1.9
79.05474	5.1
81.03430	1.1
81.07065	6.8
83.08601	2.1
91.05494	5.7
92.28116	1.1
93.07053	6.9
95.05002	1.7
95.08613	5.9
97.06529	2.1
105.07040	4.9
107.05003	1.0
107.08606	4.1
109.10167	2.9
117.07090	1.4
119.08617	5.3
121.10136	2.6
126.36387	0.9
129.07004	1.8
131.08560	3.4
133.10141	3.5
135.08160	1.5
135.11711	1.4
143.08537	1.2
145.10156	1.9
147.11711	2.3
149.09650	2.1
153.09097	1.0
157.10092	1.3
161.09679	1.4
161.13269	1.3
171.11674	1.6
172.08907	1.0
173.13280	1.7
217.15852	1.2
223.28096	1.1
227.12770	1.4
259.20468	1.3
273.18549	2.4
277.21768	1.3
291.19672	4.1
335.25763	3.0
365.23410	2.0
401.78250	1.3
411.14624	3.5
412.15350	1.4
423.15079	1.1
425.16107	8.5
426.16882	4.2
439.13431	5.5
440.18900	1.9
441.19330	18.2
442.19910	1.6
453.15128	8.8
454.16327	1.8
467.17218	16.9
468.17657	8.3
469.18988	12.0
472.93729	1.0
481.14993	10.6
482.15799	3.2
496.17117	11.0
497.18106	2.6
509.18436	1.3
555.22424	20.2
556.23071	1.7
583.21936	100.0
584.22363	8.5
607.44934	1.5
615.24420	7.9
625.29279	1.9
625.44897	2.5
642.45441	1.1
643.24005	35.0
643.35040	1.9
643.45605	5.8
644.23975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
54.32846	0.3
60.46245	0.3
65.03931	0.9
67.05490	1.2
67.52139	0.3
69.07067	0.4
69.77627	1.5
72.84225	0.3
79.05491	1.7
80.05011	0.5
81.03426	0.7
81.07056	0.8
82.06573	1.1
83.08620	0.4
85.02891	0.5
86.09625	0.3
88.51589	0.3
89.03924	0.8
91.05478	1.4
92.05000	0.9
93.05771	0.7
93.07043	2.8
94.06564	4.7
95.04969	0.9
95.07362	2.4
95.08549	0.5
96.08130	5.4
97.06540	0.5
98.21388	0.6
103.05482	0.5
105.07022	0.4
106.06561	1.6
107.07351	0.6
108.04482	2.7
108.08121	9.3
109.10129	0.3
110.09686	8.0
116.04993	2.4
118.06556	0.8
120.04488	3.8
120.08117	7.2
121.06526	0.4
122.06026	4.2
123.06805	0.6
124.07591	6.5
127.03986	0.3
132.04434	0.5
134.06013	3.3
136.07588	8.7
137.05934	0.5
138.05481	0.5
138.09138	10.3
143.07344	0.4
144.04449	5.4
144.08052	0.4
145.02840	0.5
146.06021	6.7
148.07582	3.6
150.05519	0.7
151.69418	0.3
152.07039	1.9
158.06015	0.4
160.03940	3.0
162.05510	4.4
164.07034	2.2
166.08638	11.7
167.07254	0.6
168.08147	0.3
170.09683	0.5
171.11687	0.3
172.03938	22.3
172.07576	0.9
174.05515	1.6
176.07053	3.1
177.05460	0.9
178.05067	0.5
182.09680	0.9
183.09180	0.9
184.07401	0.4
184.09959	0.7
186.05518	0.3
187.07382	0.4
190.04988	16.1
194.09727	0.4
195.09172	0.7
196.09999	1.0
197.10710	2.2
198.07799	0.3
198.11601	0.5
199.08699	0.7
199.12300	2.3
204.06564	38.3
205.06924	0.5
207.09137	0.4
208.06277	0.3
209.10789	1.0
210.07578	0.5
210.09169	1.3
210.11140	0.5
211.08664	3.7
211.12315	1.0
212.09283	1.9
213.08420	0.3
213.10156	1.4
214.10989	0.6
221.10658	0.4
223.08714	1.2
223.12360	1.0
224.09364	2.0
225.06767	0.5
225.10229	9.2
226.10997	1.0
227.11783	14.2
228.12381	0.3
229.13388	0.6
235.08737	1.2
236.09346	1.9
237.10193	3.2
238.07315	0.3
238.10881	2.0
239.08307	0.4
239.11803	4.4
240.12506	0.5
241.09769	1.8
241.13434	1.3
242.10500	0.3
243.11371	0.5
245.12955	0.8
249.10381	2.0
250.11012	0.7
251.08266	0.8
251.11778	2.7
252.08990	1.1
253.09737	6.1
253.13435	0.5
254.10388	0.4
255.11327	1.7
257.12906	0.6
263.08200	1.1
263.11789	0.7
264.06628	0.4
264.08997	3.3
265.09741	2.2
266.10556	0.7
267.11270	2.5
268.08694	0.4
269.09869	0.7
269.12857	15.5
270.09982	0.7
271.10785	8.5
273.12366	5.6
277.09818	2.0
278.10544	0.7
279.11246	3.4
281.09290	1.0
281.12686	0.8
283.10782	5.9
284.11542	4.2
284.14035	0.4
285.12338	5.9
286.13300	1.6
287.13937	17.4
289.13452	0.4
291.11200	0.6
293.09286	1.0
293.12537	0.5
294.09933	0.6
295.10645	2.0
297.12329	8.1
298.10617	0.6
299.13940	4.9
300.11484	0.8
300.14957	0.8
301.12442	0.5
302.12991	0.5
305.09265	0.5
307.10843	1.4
308.11746	0.4
309.12436	0.5
311.14270	1.1
312.11673	0.6
312.15051	1.6
313.12213	1.5
314.12994	2.0
315.13763	1.5
315.17645	0.7
316.10898	1.1
316.14560	1.8
317.15601	0.5
321.08917	0.4
321.12366	0.9
323.10306	6.4
323.14047	0.7
324.11163	0.6
325.11832	19.3
326.12692	0.9
326.16583	1.2
327.13528	3.6
327.17410	0.8
328.10834	3.5
328.14529	2.6
329.11588	1.0
329.15213	1.2
330.12354	1.3
330.16080	2.3
331.13370	0.5
331.16766	1.6
333.19229	1.2
337.11969	0.6
338.13113	0.9
339.13669	1.1
340.10825	0.4
340.14554	0.6
341.11633	1.7
341.15207	0.6
342.12360	7.2
342.16028	1.0
343.12988	10.0
343.16550	0.4
344.13916	1.2
344.17557	0.5
352.14545	1.0
353.12695	0.5
354.12524	1.2
354.16196	0.9
355.12982	1.9
355.17026	0.9
356.13889	6.6
356.17734	0.5
357.14514	10.3
358.15500	4.1
359.15814	0.5
365.11411	1.2
366.12122	0.4
366.16257	0.7
367.13583	0.8
368.10013	0.6
368.14050	0.7
369.10974	0.4
369.15149	0.6
370.11667	0.9
370.15625	5.4
371.16180	1.2
372.17200	1.0
376.16611	0.4
376.80032	0.3
378.18286	1.5
380.13950	1.4
382.11844	4.5
383.12469	2.7
383.16235	0.3
384.13284	4.5
385.13983	2.6
386.14188	1.9
386.19299	2.8
387.15625	0.6
388.16595	1.1
390.18036	3.1
394.15457	0.8
396.17349	0.5
398.15030	18.3
399.15790	24.8
400.16513	2.3
401.13370	0.5
402.18408	1.5
404.15952	5.0
412.16672	2.0
414.18143	4.7
416.16068	18.5
417.16425	0.9
418.17426	0.3
422.17010	2.9
428.16022	2.5
428.25153	0.7
429.16675	0.4
430.17538	2.3
440.15970	5.7
446.17133	13.3
446.26352	0.6
447.17764	0.4
448.18753	1.2
458.17136	32.7
459.17563	1.0
460.18686	0.5
472.18582	0.5
478.19678	1.8
479.19476	0.4
490.19717	9.7
490.26971	0.5
491.19928	0.4
505.22070	0.4
523.23248	0.8
539.26385	0.5
547.23090	0.5
551.22925	0.7
552.23480	0.5
565.24414	2.7
567.25958	2.7
569.23987	6.7
570.24384	0.4
575.21899	0.7
583.25488	2.6
593.23987	9.2
611.25006	100.0
612.25055	2.9
625.26575	0.4
643.27063	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	2.6
67.05503	5.7
69.07019	2.0
69.33923	4.4
69.34348	3.4
72.52142	0.7
79.05498	4.0
81.07043	5.8
83.08594	1.3
91.05473	4.6
93.07063	4.6
94.03509	0.8
94.13610	0.7
95.04877	1.0
95.08614	3.5
97.06453	1.5
98.20761	1.4
103.26563	0.8
105.07008	4.5
107.08601	3.8
108.88073	0.7
109.10090	3.0
117.06960	2.1
119.08584	3.5
120.13117	0.8
121.10073	2.2
123.08010	1.0
123.11626	0.9
129.06908	1.4
131.08499	2.2
133.10057	1.2
135.11604	0.9
137.09555	0.7
145.10068	1.8
147.11642	1.3
159.11650	1.4
169.10040	1.1
173.13170	1.6
183.11563	1.0
185.13164	0.8
193.87418	0.7
196.30035	0.9
273.18408	1.8
275.20035	1.7
291.19516	1.2
333.24167	1.6
335.25775	1.7
396.12143	0.9
397.13074	1.7
398.13681	1.5
410.13879	2.5
411.14423	4.6
412.15161	2.5
413.16269	1.6
424.10941	1.3
424.15933	1.5
425.16296	7.9
426.16898	6.5
427.17923	1.4
428.18536	1.1
438.13141	2.7
438.17746	1.2
439.13583	12.8
440.19043	5.3
441.19299	32.0
442.19513	2.3
452.14569	2.4
453.15265	13.5
454.15891	4.5
465.15497	0.9
466.11514	1.0
467.17148	21.6
468.17963	15.3
469.18741	10.9
480.16992	1.0
481.14828	10.6
482.15659	3.7
482.22314	1.0
482.89557	0.8
485.18265	1.0
494.18475	0.8
495.17020	2.8
496.17230	9.9
497.17984	2.5
499.19083	0.9
509.18561	1.6
512.20624	1.5
514.22034	2.1
522.18018	1.2
527.22583	3.2
537.19312	0.9
545.39508	1.0
551.40430	0.9
555.22394	31.4
556.22577	2.4
583.21912	100.0
584.22211	6.3
587.24866	1.8
607.43372	0.9
611.21387	2.4
615.24493	14.5
625.44556	3.5
643.23950	87.8
643.45697	3.1
644.24280	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	642.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01871	0.8
55.05510	1.8
57.03437	1.7
57.07063	0.2
61.02924	2.6
67.05502	3.7
69.03407	1.0
69.07068	2.0
71.04980	0.9
71.58283	0.4
73.02917	1.7
73.28120	0.2
77.03934	0.3
79.05059	0.5
79.05492	6.1
81.03419	1.1
81.07056	5.7
83.04976	0.9
83.08620	2.7
85.02897	3.5
85.06513	0.3
91.03953	2.1
91.05466	1.8
92.54477	0.2
92.90669	0.3
93.07043	10.4
95.04984	2.3
95.08607	11.6
97.02876	2.9
97.06506	1.9
97.10130	0.4
99.04466	1.5
103.05494	0.2
105.07047	1.9
107.04953	2.8
107.08589	8.5
109.02834	0.6
109.06505	0.7
109.10140	0.9
111.04440	0.7
117.06992	2.4
119.08576	3.9
121.06509	2.2
121.10143	5.0
123.04405	0.4
125.05976	1.0
127.03891	1.1
129.02113	0.2
130.07735	0.4
131.08557	0.4
133.10123	1.0
135.04375	0.4
135.08038	0.8
135.11693	21.6
136.12041	0.3
137.05966	1.0
139.07524	0.7
143.08627	0.3
145.02795	0.4
145.04915	0.6
145.10121	10.5
147.04497	0.3
149.09525	0.3
151.03876	0.4
153.12694	0.4
163.05974	0.9
163.11179	30.8
164.11546	0.5
173.09572	0.6
177.05453	0.6
181.12239	6.5
209.11713	0.8
227.12779	44.3
228.13132	0.8
233.11726	0.5
250.14381	0.5
251.08540	0.3
283.15396	100.0
284.15677	1.9
301.16400	2.1
334.49283	0.2
427.19534	0.4
445.20737	2.8
548.40875	0.3
593.91492	0.3
643.24750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30737	3.4
53.03933	5.9
55.01870	23.7
55.05510	36.5
57.03428	10.3
57.07054	4.1
67.05505	68.0
69.07066	39.7
71.04974	7.7
79.05492	68.2
81.03415	6.5
81.07059	74.6
83.04964	13.9
83.08607	23.1
86.09720	4.0
88.89407	3.8
89.24640	3.8
91.05474	67.5
92.11831	3.3
93.07037	59.5
95.04977	15.7
95.08615	43.2
97.06538	30.4
97.10159	15.1
97.46927	3.4
99.08069	6.2
104.10743	8.0
105.07029	61.3
107.04945	18.4
107.08595	54.5
109.06515	11.9
109.10146	28.3
111.08084	5.2
117.07022	24.1
119.08583	45.5
121.06534	10.8
121.10127	23.2
123.08092	8.8
123.11710	11.9
125.09622	13.6
128.06360	4.1
129.06998	19.4
131.08543	32.1
133.10136	38.5
135.08025	13.6
135.11696	15.8
137.09558	9.2
142.07759	5.4
143.08565	20.1
145.10150	32.0
147.08038	7.6
147.11691	20.8
149.09622	20.8
149.13298	10.2
151.54620	3.7
155.08574	10.8
157.10156	18.4
159.11705	22.5
161.09686	4.5
161.13220	6.9
163.11174	15.4
165.09190	4.5
165.12630	4.4
169.10118	13.8
171.11708	13.9
173.09575	5.3
173.11879	3.6
173.13257	14.6
175.11115	4.0
177.12737	9.0
179.14244	3.7
181.10106	4.1
183.11691	11.6
185.13190	10.1
187.11221	5.9
187.14830	6.0
189.11183	10.7
193.10185	4.8
195.11729	4.7
197.13277	12.0
201.16449	6.4
211.14792	6.3
213.16382	7.5
223.14890	5.2
225.16241	4.9
227.12640	13.8
239.17860	5.1
241.19418	4.6
243.14912	7.4
257.19107	16.9
259.20633	6.3
261.22372	4.4
273.18668	7.7
275.20096	79.4
291.19424	7.4
293.21188	6.9
299.82336	3.6
309.54559	3.9
333.24460	8.1
339.09735	5.9
349.23734	38.0
365.23285	4.0
367.09329	10.0
385.10110	6.0
395.29413	3.8
445.29803	4.7
459.31277	3.7
495.34711	4.2
499.34525	4.6
503.40070	3.9
504.20856	6.2
513.36261	13.1
531.38019	10.6
543.36957	6.3
549.39166	11.8
567.40063	13.1
569.38782	4.3
605.42053	14.5
609.23779	4.5
623.43060	79.6
641.22400	3.6
641.26782	3.7
641.44067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.8
55.01865	10.9
55.05266	3.3
55.05513	39.8
56.96778	2.2
57.03437	17.7
57.07076	16.3
61.42380	2.0
62.42190	2.0
65.03924	6.8
67.05506	90.0
67.91212	2.2
68.99778	3.8
69.03417	6.2
69.07069	35.0
71.04982	8.7
71.08620	7.9
72.19762	2.3
76.17731	2.3
79.05054	4.7
79.05491	63.8
81.03414	6.6
81.07061	100.0
83.04972	10.8
83.08618	26.4
83.17965	2.1
85.06541	6.6
85.10177	5.5
88.93502	2.4
89.06035	17.2
89.13524	2.1
91.05480	75.5
93.06465	5.0
93.07041	73.5
95.04966	18.5
95.08610	70.3
95.09233	3.3
97.06538	16.8
97.10178	12.6
99.08112	3.6
103.03938	3.0
103.05482	3.1
105.07033	75.1
107.04958	11.1
107.08600	54.1
109.06517	10.5
109.10162	39.2
111.08096	14.4
112.99856	2.1
113.05968	2.9
115.05445	3.8
117.07025	32.8
119.04927	2.5
119.08582	64.8
121.06520	12.3
121.10141	26.6
123.08061	8.5
123.11729	7.6
125.05965	2.6
125.09612	3.6
128.06235	7.8
129.07014	26.3
131.08571	46.0
133.06479	5.8
133.08571	7.9
133.10130	63.3
135.08067	11.6
135.11702	21.4
137.05962	3.7
137.09630	6.6
137.95488	2.2
139.05835	2.4
139.07520	7.4
141.06993	7.5
142.07776	3.3
143.08583	31.6
145.10115	45.5
147.08083	3.8
147.11699	23.9
149.09622	9.6
149.13255	10.6
151.11154	16.8
153.12784	3.0
155.08513	17.0
156.09332	5.3
157.06462	2.7
157.10150	28.1
159.08112	5.5
159.11708	28.8
161.09631	8.4
161.13248	19.7
163.07523	2.9
163.11241	6.9
163.14865	4.4
167.08572	8.4
168.09323	3.5
169.10126	18.1
169.12260	3.8
171.11655	27.9
172.86322	2.8
173.09605	4.9
173.13240	23.2
175.11215	7.4
175.14810	11.6
177.11238	5.8
177.12688	6.0
181.10080	10.1
183.11629	14.5
185.09628	4.2
185.13258	19.2
187.11119	3.1
187.14812	9.5
189.12691	4.7
193.10164	4.0
194.10938	2.4
195.11710	8.7
195.13622	4.3
197.13310	13.7
199.11203	3.9
199.14801	12.3
201.16412	4.3
207.11777	4.8
209.13269	8.9
211.14810	9.9
213.12735	3.0
213.16437	4.7
215.17911	4.3
221.13234	4.6
223.14832	7.4
225.16377	3.9
227.12744	2.7
227.17935	4.4
235.14854	3.7
237.16481	4.8
239.18071	5.3
241.19524	12.8
245.19002	6.3
253.14111	16.0
255.17534	2.8
257.18924	5.7
259.20544	25.7
267.20914	2.6
269.19113	3.0
273.18576	14.3
275.20114	5.1
283.20615	3.1
285.22406	3.2
287.19983	4.7
289.17981	7.6
291.19403	15.6
313.21710	4.6
315.23068	3.0
325.21213	3.4
333.24265	20.6
335.25815	4.9
339.22995	2.8
349.23776	3.5
363.21826	4.1
365.23169	22.7
391.29941	4.1
395.29321	2.7
409.30881	9.0
427.32092	4.7
455.31168	3.2
469.32944	4.3
483.34531	13.1
487.34335	18.8
499.33917	4.0
501.35770	45.8
503.37836	5.3
511.34494	12.8
513.36432	9.0
515.37341	3.8
525.35693	9.0
529.35223	12.7
531.38568	14.2
543.36627	10.4
549.39160	10.7
583.40057	2.6
595.43402	6.6
605.41772	23.1
623.43066	87.6
641.44214	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.8
51.02389	1.2
53.03936	3.9
55.01868	8.3
55.05096	0.8
55.05509	19.3
57.03150	1.3
57.03435	25.8
57.07072	3.3
65.03927	4.4
67.05502	61.9
69.03432	2.6
69.07067	14.9
69.07413	1.3
71.04990	5.8
71.60307	0.9
79.05491	37.1
81.03414	4.5
81.07055	47.8
83.04961	5.4
83.08627	9.0
85.02913	1.1
85.06543	25.4
87.23119	0.7
88.80585	0.8
91.05476	43.9
92.05820	1.0
92.58293	0.8
93.07042	39.0
95.01331	1.3
95.04967	51.9
95.07982	1.7
95.08598	32.7
97.02914	1.4
97.06530	8.0
97.10172	4.9
99.04442	0.9
99.08109	3.4
103.05505	1.2
105.07028	39.3
107.04946	12.2
107.08589	26.1
107.09283	1.5
109.02833	0.8
109.06513	42.9
109.10161	9.1
111.04488	0.9
111.08038	3.8
113.06001	100.0
113.09680	1.1
115.05480	2.6
117.07013	21.6
119.08573	30.1
121.06492	5.9
121.10142	12.2
121.64327	0.9
123.04488	1.4
123.08051	7.9
123.11734	2.1
125.09665	3.0
126.17834	0.9
128.06216	3.9
129.05542	1.0
129.07001	14.0
129.07898	1.0
130.07785	1.9
131.08562	28.6
131.09503	1.7
133.06509	4.0
133.10127	21.1
133.11072	1.3
135.08041	25.6
135.11687	11.8
137.09648	2.3
141.07016	3.7
141.09145	3.2
142.07814	2.9
143.08553	15.2
144.09364	1.3
145.06522	2.2
145.10117	23.4
147.08057	4.7
147.11682	11.8
149.09586	5.7
149.13258	6.1
153.07014	1.1
155.08542	5.3
156.09431	1.4
157.10092	11.0
159.08147	2.7
159.11678	18.2
161.09618	8.0
161.13240	13.2
161.14426	1.1
163.07651	0.8
163.11171	4.5
163.14986	1.6
165.09216	1.1
167.08623	3.5
168.09270	1.0
169.10114	8.4
171.08115	1.5
171.11684	13.2
173.09683	1.9
173.13240	10.2
173.14413	0.8
175.11250	2.7
175.14792	4.8
177.12805	3.6
177.16263	0.8
179.14320	1.1
180.09367	1.0
181.10184	3.0
183.11665	8.1
184.07224	1.1
185.09753	1.7
185.13254	9.1
185.14645	1.0
187.11200	3.9
187.14893	3.7
189.12817	1.4
189.16479	2.2
191.14372	1.3
193.10236	1.2
195.11761	4.3
195.13879	2.6
197.13226	5.1
199.11215	1.3
199.14815	5.4
201.12802	2.4
201.16449	2.5
203.14403	1.8
205.10226	1.0
205.12216	1.3
207.11664	1.5
207.13942	1.2
209.13347	3.4
211.14938	3.7
213.16461	3.2
215.14241	1.3
215.17931	1.2
217.15854	9.0
217.19585	1.4
221.13371	1.3
221.15422	1.3
223.14954	2.3
225.16380	1.3
227.14645	1.0
227.18030	2.0
229.19530	1.0
231.21191	1.2
235.14885	1.7
237.16391	1.9
239.18037	1.4
241.14423	3.4
241.19527	8.5
245.19106	1.2
255.17590	3.2
257.19095	3.4
258.85187	1.0
259.20551	14.7
259.23071	1.3
273.18503	15.5
275.20178	3.7
277.21817	1.7
279.15933	10.2
289.17914	1.4
291.19528	42.8
292.19666	1.0
293.21396	1.1
297.22519	1.1
307.19257	0.9
311.23956	0.8
315.23410	3.7
321.22687	1.2
325.21686	0.8
325.25385	1.1
327.26837	4.0
329.24768	1.1
331.22733	1.1
333.24222	20.9
335.26437	1.8
339.24063	1.4
343.26636	1.1
347.22180	4.2
349.24054	1.8
365.23346	12.0
379.26413	1.0
435.32880	1.3
437.34406	2.0
447.78488	1.2
459.32651	1.4
473.33987	1.0
490.35449	1.0
495.35422	1.1
497.31543	1.0
501.35745	1.0
503.38702	1.0
509.36386	1.1
511.38095	3.0
513.36371	5.4
527.37628	1.5
529.39111	2.1
531.38275	5.1
543.36456	1.0
549.39709	6.1
551.37402	2.2
565.39099	1.6
567.40942	3.6
569.38916	2.9
581.21082	1.2
583.40198	1.2
595.43835	1.0
605.41943	11.9
623.43048	61.6
624.43866	2.6
641.22083	1.0
641.44189	31.1
642.44092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43019	2.0
53.03936	6.1
55.01874	23.0
55.05265	3.4
55.05513	59.0
57.03436	14.1
57.07082	5.6
65.03935	4.2
67.05506	76.3
68.05821	2.3
68.82549	2.0
69.03426	7.1
69.07074	45.7
69.69415	17.0
71.04993	7.2
79.05060	4.7
79.05495	63.1
80.62860	2.1
81.03438	5.6
81.07055	75.6
83.04993	13.1
83.08620	31.1
84.71195	2.2
85.06532	6.0
85.10145	2.2
91.05484	53.5
93.07047	55.7
95.04984	12.2
95.08610	41.3
97.06551	21.1
97.10169	37.4
99.08068	2.9
103.05433	2.9
105.07028	59.1
107.04958	12.2
107.08596	44.5
109.06516	12.4
109.10168	26.3
111.08075	6.7
115.05450	2.7
115.54095	2.2
117.07021	32.4
119.08574	45.5
121.06519	8.6
121.10133	17.7
123.08053	7.9
123.11707	6.3
125.09637	28.4
128.06235	5.2
129.06985	16.5
130.02882	2.1
130.07767	2.7
131.08577	39.6
133.06480	5.1
133.10126	34.3
135.08049	10.5
135.11710	16.8
137.09631	6.3
140.57056	2.4
141.06978	6.9
142.07771	5.1
143.08559	23.4
145.06491	5.0
145.10132	34.1
147.08026	4.6
147.11681	25.4
149.09598	9.7
149.13268	7.1
151.11151	3.6
153.06950	3.3
153.09161	3.3
153.12770	3.4
155.08591	15.5
156.09358	3.1
157.10152	17.3
159.08038	4.6
159.11684	28.2
159.62514	2.3
161.09645	5.5
161.13255	13.0
163.11198	7.2
167.08517	4.9
169.10104	15.0
169.74931	2.2
171.10347	3.7
171.11668	12.9
173.11804	3.5
173.13199	20.3
175.11197	4.1
175.14815	7.8
177.12709	3.4
179.08533	2.4
179.14386	3.5
181.10109	6.8
183.11713	15.0
185.09630	3.2
185.13242	13.9
187.11096	3.1
187.14812	7.4
189.11227	20.6
189.12714	4.5
193.10146	3.4
195.11682	9.0
197.13272	9.8
199.14836	8.1
201.16461	3.7
206.11034	2.3
207.11642	4.9
209.11473	5.4
209.13266	7.3
211.14835	5.8
213.12820	2.9
213.16393	4.8
215.14326	2.8
223.14949	5.5
225.16400	5.5
227.12738	29.6
227.17992	3.5
231.21002	3.6
239.18001	4.7
241.19492	13.8
245.13580	3.3
257.19034	8.3
259.20569	27.1
269.13684	7.1
271.16867	2.5
271.20676	2.5
273.18546	8.2
273.87000	2.7
275.20065	22.0
275.47049	2.3
281.22574	2.5
283.20627	3.4
285.22086	6.3
287.20044	2.9
289.17975	7.3
291.19550	47.7
297.21799	3.1
299.23669	3.5
313.21521	3.9
333.20758	3.2
333.24341	18.5
349.23856	12.2
365.23117	22.5
379.29968	7.8
381.27780	2.8
392.17206	2.9
395.24191	7.5
421.20209	3.5
437.19504	3.1
440.73309	2.4
447.17923	5.3
448.18796	3.8
449.19751	3.6
451.21692	3.1
455.25900	3.6
455.31348	3.0
461.19330	2.6
469.33118	2.9
477.22849	2.8
480.21451	6.5
494.22870	7.8
495.23929	31.0
496.24124	5.0
507.24307	2.5
511.33978	6.6
512.41754	2.4
513.36536	4.8
525.35846	22.9
529.35028	10.7
531.38239	6.5
535.23492	3.9
543.36456	13.9
549.39130	7.5
554.36200	2.9
567.40344	6.2
581.27606	71.5
582.27759	11.0
587.41290	2.8
605.41748	9.7
609.26715	3.3
623.43091	100.0
624.42871	6.3
641.28961	62.3
641.39337	69.0
642.29413	10.0
642.38416	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
55.01865	12.6
55.05513	50.4
57.03423	9.9
57.07080	16.3
59.04977	4.7
65.03934	4.6
67.05508	79.6
69.03419	7.7
69.07073	38.8
70.84370	9.8
71.04981	7.1
71.08633	14.7
76.67610	2.6
79.05490	65.1
81.03402	6.6
81.07057	72.4
83.04984	11.2
83.08630	24.1
85.06547	5.6
85.10202	7.0
87.04446	4.1
89.06033	25.1
91.05482	57.9
93.07043	59.9
95.04962	17.2
95.08604	44.8
97.06510	9.8
97.10157	35.1
105.04529	3.6
105.07033	48.4
107.04945	11.1
107.08599	42.0
107.60873	3.6
109.06522	10.2
109.10151	22.0
111.04433	4.3
111.08105	6.1
113.06038	3.5
116.06248	4.6
117.07022	32.0
119.08585	45.2
121.06522	6.8
121.10156	17.7
123.08102	8.2
123.11714	11.2
125.09642	25.1
128.06267	6.7
129.06990	13.7
131.08572	38.2
133.06503	6.8
133.08611	13.7
133.10129	33.3
135.08049	10.6
135.11671	12.7
137.09625	8.0
141.06987	6.1
143.08530	16.8
143.10875	2.9
145.06499	3.1
145.10132	33.4
147.08018	5.4
147.11708	22.4
149.09589	6.9
149.13246	10.1
153.09050	3.8
155.08559	12.9
157.10143	16.1
159.08066	6.5
159.11668	27.5
161.09639	7.1
161.13300	15.4
163.11168	6.1
167.08629	5.5
168.09253	3.8
169.10127	17.5
171.11696	16.3
173.09595	4.2
173.13261	12.8
175.14833	10.4
177.12701	5.8
179.08534	4.3
181.10179	9.5
183.11697	13.0
185.13277	14.8
187.14754	6.6
189.11227	17.9
189.12767	3.9
195.11752	8.3
197.13275	13.7
198.13651	2.7
199.14842	5.7
201.16379	3.5
207.11761	3.3
211.14810	8.6
213.16389	4.4
219.11743	3.1
221.13368	4.0
223.13316	9.0
225.16559	4.8
227.12717	27.2
233.15303	3.6
237.16380	5.0
241.19574	13.8
243.15669	3.4
243.21204	3.0
247.17097	3.8
257.18994	4.4
259.20581	31.2
261.18628	4.4
273.18478	9.3
275.20074	6.7
277.21893	4.1
283.20547	2.9
285.22189	6.7
289.17987	8.7
291.16476	5.9
291.19553	72.7
291.22858	4.2
299.23505	3.2
315.23184	5.8
333.24228	24.6
335.25848	6.4
351.10956	3.0
363.22324	4.4
363.26877	6.7
365.23163	31.6
379.30093	5.7
381.27634	4.5
397.31552	3.1
415.29694	3.3
511.34409	4.7
525.35742	4.2
529.35236	6.7
531.37848	9.4
543.36682	13.9
549.39233	6.1
567.40173	5.8
569.38977	3.9
575.00629	3.0
605.41931	20.8
623.43079	100.0
641.44189	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62097	2.5
52.79169	2.4
53.03939	10.0
55.01876	15.1
55.05516	46.0
57.03445	13.8
57.07068	8.4
65.03922	4.7
65.98532	2.8
67.05508	87.4
69.03422	3.7
69.07072	36.5
71.04993	10.3
71.08610	3.5
71.19518	8.0
73.06579	3.0
78.42580	2.9
79.05496	66.5
81.03420	8.4
81.06578	4.9
81.07059	100.0
83.04974	14.8
83.08614	23.7
84.79048	2.5
85.06541	8.3
91.05484	71.6
93.07047	71.9
95.04983	20.7
95.08611	68.0
97.06526	12.6
97.10176	15.9
100.11253	7.6
103.05454	4.9
105.07039	70.7
107.04959	11.8
107.08601	53.8
109.06526	13.1
109.10160	38.5
111.04482	4.0
111.08115	13.6
113.06016	11.8
115.05453	3.5
117.07024	25.9
119.08584	58.1
121.06505	13.7
121.10139	28.5
123.08083	9.3
123.11707	11.2
125.05991	3.4
125.09633	8.7
128.06239	5.0
129.07030	26.9
130.07832	3.4
131.08568	46.1
133.06500	4.2
133.10127	52.7
135.08072	11.3
135.11703	20.3
137.09619	10.4
139.07564	7.1
141.07021	6.4
142.07784	5.0
143.08582	20.0
145.06488	3.2
145.10126	42.8
147.08043	6.0
147.11700	29.2
149.09612	6.2
149.13251	6.3
151.11188	9.5
153.51984	2.6
155.08572	12.7
157.10159	24.6
159.08043	12.9
159.11719	25.8
161.09596	10.2
161.13335	17.1
161.14569	3.9
163.11192	9.8
165.07018	3.2
167.08595	6.0
169.10127	13.2
171.08035	3.4
171.11685	25.2
173.09666	4.0
173.13211	17.1
175.11200	4.6
175.14885	9.8
177.12825	4.5
179.08545	4.0
181.10175	10.6
183.11635	16.1
185.09659	4.1
185.13252	20.2
187.14807	9.3
193.10103	6.8
195.11678	13.3
195.13719	3.1
197.13271	11.5
199.14812	13.6
201.16377	3.9
207.11758	3.4
209.13263	8.5
211.14769	8.9
213.16464	7.4
223.11264	3.5
225.16493	4.4
227.17990	4.0
229.19591	4.9
237.16412	4.8
238.21516	3.1
241.19547	12.6
249.16582	4.5
253.14137	15.4
257.18936	3.6
259.20511	21.5
261.18579	4.0
271.17163	4.1
273.18457	12.0
275.20160	5.3
283.20462	3.1
287.20059	3.9
289.18121	26.2
289.21091	5.3
291.19443	21.4
311.23627	3.7
315.23227	4.4
325.21103	3.5
327.61078	3.6
333.24405	19.4
335.25909	4.2
365.23352	16.3
391.29852	4.6
409.30923	12.1
427.32068	4.1
437.30292	4.0
471.34393	3.7
483.34537	10.1
487.34439	26.4
501.35748	34.8
503.37473	10.0
511.34363	7.2
513.36639	6.2
525.35297	5.2
529.35217	11.0
531.37976	11.4
543.36450	16.6
549.39368	11.5
567.40668	3.3
595.43488	6.4
605.41943	15.6
613.44702	4.2
623.43060	94.7
641.44202	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86200	0.3
55.05481	0.6
57.03398	0.3
67.05458	1.1
68.66763	0.3
68.94095	0.4
69.03384	0.7
69.07030	0.6
69.65257	2.3
69.82879	0.3
70.06545	0.4
70.62500	0.3
71.04978	0.3
79.05461	0.4
81.03367	1.3
81.07009	0.9
83.04947	0.7
83.08573	0.4
85.02855	1.1
91.05438	1.2
93.07015	0.5
95.04921	0.6
95.08551	0.9
97.02852	1.0
97.06493	0.4
98.21505	0.3
99.81527	0.3
105.06960	0.6
107.04968	0.5
107.08533	0.6
109.02798	0.5
109.10104	0.9
111.04380	0.4
117.03326	0.4
119.08527	0.6
122.06018	0.5
123.04374	0.5
127.03893	0.5
131.08511	0.3
133.10016	0.4
136.06168	0.4
137.05933	0.7
145.02797	0.7
147.04393	3.1
147.08005	0.4
149.09724	0.3
163.03862	0.6
165.09036	0.9
175.03906	2.5
177.05452	1.9
184.07164	0.3
223.98039	0.3
231.08063	0.4
233.84532	0.3
247.07542	7.1
255.08046	0.7
259.07547	1.4
268.08868	0.6
271.07483	0.7
276.09595	0.4
281.09454	0.4
297.74957	0.4
300.07751	5.2
301.10049	0.9
305.09491	1.5
307.10983	0.5
308.08334	0.4
313.10205	0.4
319.11166	1.7
321.09286	0.4
323.10654	0.5
329.09631	2.6
330.09796	0.4
331.11060	0.7
333.09024	0.9
337.12491	0.6
346.09790	0.4
347.10672	5.3
350.09445	0.8
351.10123	1.4
357.09033	1.9
358.09909	1.5
359.10736	0.8
361.08661	1.0
365.11722	2.7
368.14413	0.3
374.09399	1.6
375.10138	9.2
376.11017	3.4
377.11807	1.2
379.09647	79.0
380.10007	2.2
385.08569	0.8
387.10092	0.5
390.08676	0.7
392.10315	1.9
393.11243	10.5
394.11609	0.6
402.08716	0.4
403.09674	5.7
404.10571	0.6
405.11218	0.9
407.09183	2.3
421.10709	100.0
422.11160	2.1
431.09128	0.6
449.10242	12.5
450.11166	0.6
467.11310	1.1
492.51968	0.4
641.16010	0.9
641.32385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05496	1.2
57.03427	0.5
60.10474	0.3
61.02931	0.8
65.03952	0.7
67.05507	2.4
69.03422	1.1
69.07058	1.2
71.58569	0.6
79.05473	0.7
81.03406	1.5
81.07054	2.8
83.04965	2.0
84.04456	0.4
85.02905	2.3
85.06573	0.4
86.09717	0.6
91.05473	1.2
93.07029	1.7
94.06585	0.4
95.04956	1.4
95.08602	1.1
97.02893	1.1
97.06560	0.5
99.04501	0.4
102.18754	0.4
105.07018	0.9
107.04955	1.2
107.08588	1.3
108.08118	0.7
109.02859	1.4
109.10177	1.2
111.04433	1.1
119.08587	0.6
120.14613	0.5
121.10186	0.5
122.05997	0.9
123.04365	0.9
123.08039	0.6
125.09549	0.5
127.03905	2.8
131.08644	0.4
133.10078	0.4
137.05972	1.1
137.09576	0.5
139.03902	0.4
145.02817	1.0
145.10156	0.7
147.04422	2.4
147.11667	0.4
151.03909	0.4
163.04015	0.5
163.11121	0.6
165.09105	3.2
166.08604	0.8
175.03923	2.4
176.74992	0.4
177.05493	1.6
179.10699	0.4
184.07401	0.7
205.06778	0.5
227.08505	0.4
231.08102	0.7
247.07564	6.0
255.08043	0.9
259.07584	1.8
271.07870	0.5
283.07489	0.5
295.07455	0.4
299.07385	0.5
300.07733	5.2
305.09564	1.6
307.11124	0.4
311.06805	0.5
318.10541	0.5
319.10959	1.7
323.10818	1.0
329.09589	3.0
330.10651	0.5
331.11340	0.9
333.09088	0.9
334.09567	0.5
339.06885	0.5
346.09976	0.8
347.10696	6.1
350.09421	0.9
351.10245	1.3
357.09052	1.6
358.09860	1.9
359.10370	0.6
361.08527	1.2
365.11768	1.8
374.09317	1.3
375.10178	8.8
376.10855	2.8
377.11688	1.2
379.09653	71.9
380.10165	1.7
385.08383	1.2
387.10089	0.5
389.08099	0.8
390.08749	1.7
392.10339	2.3
393.11182	9.9
402.08914	0.4
403.09698	5.7
404.10428	0.9
405.11340	2.0
406.08426	0.5
407.09076	2.5
407.13574	0.9
420.09454	0.5
421.10703	100.0
422.10895	2.6
431.08844	0.7
435.28946	0.4
449.10223	12.8
450.10620	0.6
467.11227	2.5
623.33484	0.5
640.38440	1.4
641.16534	5.4
641.32867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10144	0.3
55.01854	0.5
55.05501	0.5
61.02887	0.3
67.05487	1.3
69.03412	0.9
69.07066	0.4
71.87924	0.3
79.05470	0.6
80.84109	0.3
81.03403	1.0
81.07041	1.2
83.04965	0.7
85.02892	0.9
86.09659	0.3
89.03936	0.3
91.05455	0.9
91.87785	0.3
93.07040	0.7
95.08598	0.5
97.02898	0.7
99.81538	0.3
100.50327	0.3
105.07026	0.7
107.04956	0.6
107.08591	0.7
109.06564	0.3
109.10175	0.7
111.04427	0.5
112.51358	0.3
119.08578	0.4
121.10129	0.6
123.04400	0.4
125.09641	0.3
127.03967	0.6
133.10068	0.4
135.04391	0.3
135.08112	0.3
137.05959	0.7
139.10779	0.3
145.02794	0.6
147.04419	2.6
165.09106	0.8
175.03917	2.5
177.05478	1.4
184.07318	0.6
231.08081	0.5
247.07552	6.1
254.68372	0.3
255.08162	0.7
258.06601	0.4
259.07559	1.6
268.08725	0.3
271.07645	0.9
273.05573	0.4
276.09415	0.5
281.09622	0.7
283.07642	0.4
284.08527	0.5
295.11267	0.4
300.07758	4.7
301.10114	0.4
305.09634	1.3
318.10638	0.6
319.11136	1.4
321.09097	0.5
323.10648	0.8
329.09531	2.8
331.11337	0.8
333.09024	0.9
334.09894	0.4
337.12164	0.4
346.09750	0.4
347.10693	5.1
348.11432	0.3
350.09335	0.7
351.10117	1.1
357.08926	1.5
358.09915	1.4
359.10440	0.5
361.08722	0.9
365.11807	2.0
367.14923	0.3
373.15771	0.4
374.09473	1.3
375.05429	0.4
375.10144	8.5
376.10944	2.8
377.11743	0.9
379.09665	74.3
380.10098	1.6
385.08282	1.5
389.07971	0.5
390.08646	1.5
391.09036	0.4
392.10538	1.9
393.11218	10.9
402.08664	0.4
403.09607	5.6
404.10361	0.4
405.11319	1.2
407.09201	2.0
421.10718	100.0
422.11105	2.0
431.09219	0.5
449.10236	11.8
467.11334	1.1
623.15387	0.6
641.16449	0.8
641.33496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
55.05500	0.5
56.96560	0.2
57.07038	0.2
60.04503	0.3
61.02898	0.2
65.03928	0.3
66.51577	0.2
67.05501	1.1
69.03416	0.7
69.07047	0.6
70.16138	0.2
79.05479	0.5
81.03398	0.7
81.07044	1.0
83.04953	0.8
85.02905	1.1
91.05489	1.2
93.07021	1.1
94.06550	0.2
95.04947	0.5
95.08588	1.0
97.02873	0.8
97.06534	0.3
97.10125	0.2
99.04452	0.2
101.23035	0.2
105.07018	0.5
107.04939	0.4
107.08561	0.4
109.02870	0.9
109.10140	0.4
111.04421	0.5
117.06992	0.3
119.04917	0.6
119.08572	0.3
121.06449	0.3
122.06062	0.3
125.09591	0.3
127.03895	0.9
131.08498	0.3
137.06003	0.3
137.09558	0.3
139.07367	0.2
145.02838	0.5
145.04965	0.3
145.10114	0.3
147.04420	3.0
147.11664	0.3
148.04762	0.9
151.04013	0.3
165.09122	0.6
175.03876	0.6
177.05453	0.8
191.08684	0.2
202.07730	0.3
217.53812	0.2
226.07828	0.3
231.08125	0.4
247.07625	1.4
254.07256	0.3
255.07999	0.6
258.06686	0.6
259.07556	4.5
268.08774	0.3
271.07651	0.5
276.09344	0.8
277.10193	0.9
281.06195	0.4
281.09552	0.2
281.17477	0.7
282.06726	1.0
282.17889	0.4
287.07202	0.3
289.10025	0.5
290.10825	0.3
292.08954	0.5
294.10165	0.2
295.11169	1.4
300.08115	0.8
301.10107	1.5
302.10916	0.7
304.08643	0.2
305.09589	3.7
306.10104	0.3
313.10068	0.7
316.08899	0.6
317.09390	0.3
318.10410	0.9
319.11139	2.9
321.24341	0.3
322.59055	0.2
323.10675	0.9
328.08810	0.3
329.09625	5.9
330.10306	1.3
331.11136	1.5
332.08505	1.1
332.11841	0.4
333.09091	2.3
334.09787	0.4
337.12222	0.4
339.25247	0.3
340.08777	0.3
341.09787	0.4
342.10391	0.7
345.09064	0.7
346.09924	1.0
347.10663	21.9
348.11224	0.5
350.09552	0.5
351.10162	2.5
356.08405	0.5
357.09073	3.8
358.09875	5.0
359.10568	0.9
360.07706	0.3
361.08569	1.8
362.08954	0.2
365.11844	1.8
373.08588	0.6
374.09491	1.9
375.10178	25.4
376.10855	2.1
378.08694	0.4
379.09656	63.7
380.09943	1.6
385.08493	2.1
386.09253	0.5
389.07925	0.7
392.10678	0.4
393.11209	5.7
402.08835	0.9
403.09659	23.8
404.10086	0.6
405.11176	0.2
407.08972	0.6
421.10703	100.0
422.11090	2.5
431.09174	0.7
435.29245	0.3
449.10220	8.0
467.11322	0.9
623.15759	0.4
640.39032	1.2
641.16833	0.3
641.34277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05496	1.2
57.03427	0.5
60.10474	0.3
61.02931	0.8
65.03952	0.7
67.05507	2.4
69.03422	1.1
69.07058	1.2
71.58569	0.6
79.05473	0.7
81.03406	1.5
81.07054	2.8
83.04965	2.0
84.04456	0.4
85.02905	2.3
85.06573	0.4
86.09717	0.6
91.05473	1.2
93.07029	1.7
94.06585	0.4
95.04956	1.4
95.08602	1.1
97.02893	1.1
97.06560	0.5
99.04501	0.4
102.18754	0.4
105.07018	0.9
107.04955	1.2
107.08588	1.3
108.08118	0.7
109.02859	1.4
109.10177	1.2
111.04433	1.1
119.08587	0.6
120.14613	0.5
121.10186	0.5
122.05997	0.9
123.04365	0.9
123.08039	0.6
125.09549	0.5
127.03905	2.8
131.08644	0.4
133.10078	0.4
137.05972	1.1
137.09576	0.5
139.03902	0.4
145.02817	1.0
145.10156	0.7
147.04422	2.4
147.11667	0.4
151.03909	0.4
163.04015	0.5
163.11121	0.6
165.09105	3.2
166.08604	0.8
175.03923	2.4
176.74992	0.4
177.05493	1.6
179.10699	0.4
184.07401	0.7
205.06778	0.5
227.08505	0.4
231.08102	0.7
247.07564	6.0
255.08043	0.9
259.07584	1.8
271.07870	0.5
283.07489	0.5
295.07455	0.4
299.07385	0.5
300.07733	5.2
305.09564	1.6
307.11124	0.4
311.06805	0.5
318.10541	0.5
319.10959	1.7
323.10818	1.0
329.09589	3.0
330.10651	0.5
331.11340	0.9
333.09088	0.9
334.09567	0.5
339.06885	0.5
346.09976	0.8
347.10696	6.1
350.09421	0.9
351.10245	1.3
357.09052	1.6
358.09860	1.9
359.10370	0.6
361.08527	1.2
365.11768	1.8
374.09317	1.3
375.10178	8.8
376.10855	2.8
377.11688	1.2
379.09653	71.9
380.10165	1.7
385.08383	1.2
387.10089	0.5
389.08099	0.8
390.08749	1.7
392.10339	2.3
393.11182	9.9
402.08914	0.4
403.09698	5.7
404.10428	0.9
405.11340	2.0
406.08426	0.5
407.09076	2.5
407.13574	0.9
420.09454	0.5
421.10703	100.0
422.10895	2.6
431.08844	0.7
435.28946	0.4
449.10223	12.8
450.10620	0.6
467.11227	2.5
623.33484	0.5
640.38440	1.4
641.16534	5.4
641.32867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1501
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03945	0.5
53.77866	0.2
55.01876	0.4
55.05516	0.3
57.03436	0.3
61.02926	0.3
63.02381	0.4
67.05515	0.4
69.03434	2.2
69.03770	0.3
69.07069	0.3
70.06598	0.4
70.43191	0.1
71.04998	0.3
71.58178	0.2
73.02916	0.2
78.04727	0.2
79.05483	0.5
81.03420	4.6
81.07067	0.9
83.04972	0.2
85.02900	1.5
86.09736	0.2
89.03918	5.4
89.15593	0.2
90.60691	0.2
91.05481	0.9
93.07039	0.6
95.04967	0.4
95.08609	0.8
95.78735	0.2
97.02908	0.8
97.06518	0.4
98.97549	0.2
99.04482	0.4
103.05476	0.3
103.50268	0.2
105.07030	0.4
106.04131	0.2
107.04977	0.4
107.08632	0.5
109.02877	1.8
109.10147	0.4
111.08144	0.2
111.30600	0.2
115.05497	0.3
117.03380	16.4
118.03725	0.3
119.04933	0.5
119.08578	0.6
121.06463	0.4
121.10159	0.5
122.06021	0.2
123.11709	0.4
127.03944	1.5
131.08563	0.3
133.10117	0.4
134.03632	1.4
135.04405	1.5
135.08008	0.2
137.02377	0.4
137.05984	0.6
145.02847	42.8
145.10168	0.2
146.03207	0.5
147.04402	0.7
149.05981	6.7
149.13206	0.2
153.01857	1.1
158.06012	0.5
162.03093	0.3
163.03966	1.2
164.07077	0.3
165.01794	0.3
165.09142	0.3
166.08780	0.2
175.14743	0.2
177.05470	100.0
177.95743	0.2
178.05876	1.5
180.38354	0.2
186.05547	2.1
195.06529	1.0
201.05550	0.3
211.11205	0.2
229.04857	1.1
257.04541	0.5
261.07336	0.2
285.03790	0.2
303.04996	17.7
304.05362	0.5
321.09689	5.4
339.10742	4.5
373.65308	0.2
634.25812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4332
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
53.63903	0.2
54.94017	0.2
55.05511	1.7
57.05814	0.3
57.07080	1.0
58.06602	5.8
61.37437	0.2
67.05502	0.7
67.22626	0.2
69.07065	0.6
70.06592	0.6
72.08160	12.4
73.06555	1.7
79.05483	0.5
81.07060	0.6
82.06599	0.2
83.04990	1.7
84.08141	0.7
85.08923	0.3
86.09711	20.9
91.05477	0.4
93.07053	0.5
95.05003	0.2
95.08590	0.2
96.08139	0.3
98.06072	0.4
98.09662	0.2
100.11263	100.0
101.06023	2.4
101.11607	0.6
105.07024	0.3
114.09183	0.2
119.08559	0.2
121.10099	0.3
128.10689	0.3
131.08649	0.3
132.10173	0.2
140.14343	3.5
143.08231	0.2
145.10139	0.2
146.11772	2.6
154.04660	0.2
154.12299	1.7
154.15924	0.9
156.38162	0.2
168.13861	0.2
169.15073	0.2
172.13347	3.0
182.11803	0.5
186.14792	0.2
200.12878	0.5
200.16464	1.4
210.14885	0.4
211.14449	0.6
214.14427	0.9
228.15964	7.6
228.18181	0.4
240.19769	0.3
245.18744	0.3
249.19705	0.3
268.19101	0.3
275.20145	0.4
285.21753	4.5
291.19632	0.5
295.20325	0.3
299.23312	7.0
313.21411	0.7
327.22803	12.8
333.26077	0.2
367.25989	0.3
395.25452	0.9
412.31671	0.3
427.28394	0.3
440.31256	3.2
458.32300	6.6
459.32813	0.3
484.34091	0.8
512.33594	0.8
517.30060	0.2
526.34680	1.1
540.36664	0.3
611.43829	32.7
612.43860	1.0
621.42206	0.4
639.43341	15.3
640.43311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76224	1.2
53.03942	5.6
55.01857	5.7
55.05513	15.5
57.03437	20.7
57.07068	2.6
65.03931	3.0
67.05504	37.6
69.07067	13.4
71.08614	1.4
71.58771	1.8
79.05492	26.9
81.03412	4.2
81.07057	40.7
83.04984	11.6
83.08611	8.8
85.06541	7.4
91.05481	38.5
91.06066	1.4
93.07043	30.4
94.53503	1.1
95.01315	2.6
95.04964	12.1
95.08606	25.4
96.13930	1.2
96.48374	1.2
97.06516	3.3
97.10172	1.6
99.04396	1.7
99.08100	1.5
103.05464	2.7
105.07032	34.9
107.04942	16.4
107.08597	19.6
109.06510	13.0
109.10131	10.1
111.04432	7.9
111.08073	2.8
113.05983	5.7
113.24756	1.3
115.05460	3.0
116.06189	1.5
117.07012	19.2
119.08583	25.6
121.06484	5.8
121.10142	10.1
123.04399	1.7
123.08063	4.9
123.11698	2.0
125.06001	1.6
125.09595	1.8
125.88164	1.2
128.06197	3.1
129.07005	11.3
131.07054	2.2
131.08560	24.5
131.30408	1.3
133.06471	3.1
133.10120	17.2
135.08032	4.9
135.11671	7.0
137.05933	1.7
141.06972	6.6
142.07779	2.7
143.08566	14.4
145.06517	6.4
145.10110	15.7
146.10922	1.3
147.08017	5.3
147.11676	10.7
149.09624	2.8
149.13200	3.1
151.11119	2.6
154.07700	2.1
155.08510	10.1
156.09180	1.6
157.10149	9.8
159.08113	7.5
159.11700	16.1
161.09630	3.5
161.13239	5.6
163.07661	1.4
163.11154	4.0
165.06989	3.5
165.12785	1.6
167.08556	6.4
169.10112	11.2
171.07990	2.8
171.11720	10.5
173.09633	3.6
173.13283	7.0
175.11147	2.1
175.14793	1.8
177.12738	4.2
179.08607	2.7
179.10397	1.1
179.14268	1.8
180.09296	2.0
181.10123	6.9
183.08078	1.8
183.11662	8.6
185.09567	3.6
185.13248	9.0
187.11188	4.7
187.14816	5.3
189.12708	2.7
193.10103	4.9
195.11710	8.1
196.08815	1.7
197.09674	2.7
197.13312	8.2
199.11177	2.2
199.14845	5.2
201.12717	2.8
205.10010	1.4
205.15889	3.8
207.11798	5.9
209.09639	1.6
209.13254	5.6
211.14803	2.8
213.16406	2.6
215.14345	1.5
217.10109	1.6
219.11723	3.0
221.13261	3.1
223.11140	1.9
223.14786	3.0
225.12657	2.1
225.16367	2.7
229.15889	1.7
233.15320	3.8
235.14749	2.5
237.12764	1.3
239.14287	1.9
239.18031	1.6
241.14240	2.9
241.19629	2.4
243.17233	2.5
245.13156	1.8
247.14601	1.5
249.16492	1.5
253.15739	1.4
257.19046	5.4
259.20566	3.8
261.18378	3.4
271.16895	2.9
271.20596	2.4
274.50342	1.5
279.15820	13.2
283.20480	1.5
285.22104	3.1
289.17993	11.1
291.19669	2.4
307.19617	1.6
309.22061	2.1
315.22998	1.5
319.20432	1.6
323.23419	1.6
325.25162	2.8
333.24258	4.3
343.26294	4.0
349.21741	1.6
363.21674	6.9
369.24149	2.1
377.24686	1.6
443.28363	2.6
473.33902	4.3
491.35068	4.9
501.37262	1.5
509.36188	3.7
511.35455	2.4
527.37329	1.5
529.36292	5.0
539.33539	1.5
547.38086	7.9
548.38361	2.0
561.77246	1.4
565.38873	22.8
567.36499	3.8
579.24908	6.0
583.39581	4.3
603.40271	8.8
621.41492	100.0
622.41479	5.9
631.62872	1.5
639.26904	24.3
639.41925	43.8
640.27600	2.5
640.42908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.67852	4.0
69.28454	33.8
69.28882	13.9
86.80606	4.9
143.24844	4.0
156.45979	4.2
157.60068	5.2
161.25548	4.2
190.02399	4.2
334.73407	5.4
405.20892	6.0
407.22232	12.0
421.23660	11.9
451.21188	15.7
465.22598	13.9
503.24231	16.1
507.27203	7.0
535.26959	10.2
551.25928	7.0
552.27319	13.2
579.25330	5.8
621.26642	14.6
639.28162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97562	0.2
53.03733	0.2
53.03942	1.2
55.01863	0.6
55.05505	0.5
55.37939	0.2
56.96554	0.6
57.03419	0.3
60.08165	0.2
61.02923	0.4
65.03941	1.0
67.01864	0.5
67.05498	0.9
69.03432	2.4
69.07054	0.6
69.37691	2.0
70.06580	0.3
71.04987	0.7
79.05494	0.5
81.03418	7.4
81.07054	1.1
83.04961	0.4
83.08615	0.3
85.02904	3.5
85.06552	0.2
86.09711	0.4
91.05482	9.2
93.07043	0.9
95.04960	0.4
95.08598	0.5
97.02888	4.4
97.06496	0.3
97.10143	0.3
98.80318	0.2
99.04451	4.0
103.03954	1.6
105.07012	0.7
107.04961	0.5
107.08579	0.5
109.02878	17.0
109.06525	0.5
109.10176	0.4
117.06980	0.3
119.04944	20.4
119.08601	0.5
121.06510	0.3
121.10147	0.6
123.08054	0.2
124.07564	0.3
125.00012	0.3
125.09649	0.4
127.03916	22.0
131.08571	0.5
133.10164	0.3
135.07994	0.2
135.11728	0.4
136.07541	0.2
137.06004	0.3
139.03896	0.7
145.02867	0.4
145.04979	1.9
145.06621	0.3
145.10150	0.3
147.04408	100.0
148.04770	0.3
151.03870	0.3
163.03955	0.3
163.11172	0.2
165.05573	0.2
165.09138	0.7
169.04967	7.5
177.05431	0.4
184.07306	1.4
187.06032	4.2
211.06032	0.5
214.18118	0.6
215.18260	0.3
229.07082	5.8
235.06058	0.2
255.06624	0.5
273.07565	1.8
289.09186	0.9
291.12585	1.1
309.13672	1.9
314.14139	0.2
319.22644	0.3
333.13791	0.6
351.14700	0.3
435.12924	0.6
453.18018	1.0
476.26953	0.3
477.27768	0.3
639.32806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05510	6.2
57.07072	3.0
64.61723	2.5
67.05510	13.9
69.03417	4.1
69.07072	3.1
69.22877	2.4
69.23499	30.5
71.08626	3.6
79.05495	4.3
81.03435	3.1
81.07050	8.3
83.08607	4.1
87.61101	2.5
91.05487	3.8
93.07067	4.7
95.08636	4.1
98.20718	6.1
109.10144	9.0
119.08594	2.8
121.10139	3.2
212.64476	2.7
292.82111	3.0
353.22565	3.2
401.17545	3.1
414.18848	4.8
415.19354	6.8
427.19681	2.9
428.19745	2.7
429.21039	5.8
443.22745	4.4
444.18643	4.2
456.20261	2.8
465.35938	5.9
471.22226	3.9
472.22882	3.2
473.19565	6.8
485.19421	3.7
490.19736	4.3
499.21161	7.9
503.24316	6.5
531.24463	13.5
539.39209	8.2
559.23413	84.5
587.23004	15.9
619.25610	100.0
637.26550	13.0
637.41656	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	637.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74314	16.0
71.58477	31.9
142.95786	15.9
170.52800	14.7
171.94411	17.9
503.24124	34.2
535.26733	33.4
545.25134	100.0
605.27148	43.8
637.30438	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94664	0.1
53.03956	0.3
55.01885	0.1
55.05515	1.6
57.03440	0.2
57.07077	0.6
61.02925	0.3
65.03928	0.2
66.99005	0.1
67.05505	1.5
69.03429	0.7
69.07069	5.6
69.27144	1.2
71.04987	0.3
77.03940	0.2
79.05489	0.8
81.03412	0.5
81.07055	2.0
83.08623	1.4
85.02905	2.6
85.06551	0.4
91.05475	2.3
93.07040	1.6
95.04976	0.3
95.08607	5.3
97.02894	0.8
97.06542	1.0
99.04442	0.1
103.05467	0.2
105.07031	6.4
107.08591	2.2
109.02892	0.4
109.06530	0.2
109.10162	5.6
115.05442	0.1
117.07009	0.5
119.08582	27.5
120.08931	0.4
121.10146	1.5
123.08038	0.3
123.11697	0.4
127.03922	0.7
131.08545	0.8
132.09346	0.2
133.10130	26.0
134.10500	0.3
135.11699	2.9
137.05966	0.9
137.09622	2.5
144.09364	0.2
145.04987	0.6
145.10112	1.5
146.10880	0.2
147.11685	4.8
149.13254	0.7
150.05553	0.1
151.03877	0.2
151.14861	0.8
152.07066	0.1
157.10139	0.1
159.11629	0.3
160.12459	1.1
164.07031	0.1
173.13315	0.8
175.14824	100.0
176.15167	1.8
177.05446	0.2
177.16371	0.7
189.09099	0.2
193.15881	17.6
194.16212	0.2
233.11752	0.8
250.14378	1.0
408.37854	0.1
523.79138	0.1
638.22467	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	637.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.05502	1.2
56.50530	0.5
56.96563	0.4
57.03426	1.2
58.37556	0.5
61.02908	0.8
64.01635	0.6
65.03925	0.6
67.05502	1.4
69.03426	2.1
69.07077	1.0
70.06594	1.1
70.84776	0.8
70.85136	1.1
71.04998	1.1
71.41269	0.5
73.02905	0.8
79.05502	1.4
81.03414	3.0
81.07074	2.5
83.04984	0.7
83.08607	0.5
84.08149	0.6
85.02912	3.9
85.06559	0.8
86.09725	0.8
90.00149	0.5
91.05492	2.6
93.07058	1.7
95.04975	0.8
95.08614	1.7
97.02913	3.2
97.06544	1.4
97.10165	0.7
98.97573	0.5
99.04462	1.4
104.05368	1.1
105.07041	1.7
107.04989	0.9
107.08594	1.4
109.02881	3.4
109.06497	0.7
109.10157	1.1
119.01955	0.5
119.04964	3.4
119.08578	1.7
120.08131	0.8
121.06443	0.5
121.10148	1.0
122.06090	0.6
123.11745	0.6
125.09649	0.7
127.03918	4.6
127.85794	0.5
131.08592	1.1
133.10132	1.3
135.08054	0.6
135.11734	0.6
137.05971	2.6
145.10110	1.1
147.04420	12.8
147.11665	0.6
148.04755	0.6
149.09634	0.7
151.03946	1.4
151.11180	0.6
159.11690	0.6
161.05974	0.7
163.03925	1.1
163.07532	0.8
164.07097	0.6
165.09171	0.5
167.03139	2.7
167.07076	1.4
169.02620	2.4
177.05626	0.9
187.03810	0.7
187.06033	0.8
193.08698	1.1
197.06110	0.5
209.04185	0.9
212.98381	0.4
224.10281	0.5
245.06575	0.6
259.09784	0.6
260.10587	0.7
269.06384	0.6
273.70279	0.5
285.12299	0.7
287.07449	1.6
329.08566	2.9
331.07953	1.7
373.08926	6.5
391.09952	8.0
433.11151	1.9
475.26953	0.8
585.32355	0.6
637.17358	100.0
638.17749	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19804	6.0
57.07053	9.6
67.00526	5.5
67.05495	28.7
69.07060	9.5
70.10545	22.2
70.10934	13.1
81.07034	12.9
86.66907	6.1
95.08572	10.1
98.20864	7.0
109.10130	17.3
119.08534	6.6
121.10136	7.4
131.47643	6.5
134.88162	6.3
166.63881	7.1
169.37239	6.1
170.03510	6.3
198.83676	6.4
211.40714	6.4
318.52719	6.5
345.56134	6.2
394.41193	9.1
421.20261	8.9
429.21210	8.1
435.21606	7.6
499.21512	9.2
517.22162	16.2
539.39124	13.0
549.24487	9.3
559.23560	46.1
587.22791	15.9
619.25519	61.4
637.16742	10.3
637.26575	100.0
637.41882	24.2
648.40021	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	637.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40681	0.3
53.03942	0.3
54.60434	0.3
55.05505	0.5
56.98401	0.2
57.03418	0.4
61.02922	0.5
62.09623	0.2
67.05509	0.4
69.03429	1.4
69.20684	0.2
70.06574	0.4
70.82043	0.2
70.99120	0.5
70.99493	0.5
71.04998	1.1
79.05474	0.6
81.03415	1.5
81.07066	0.8
83.01118	1.0
85.02914	2.2
85.07661	2.2
91.03972	0.3
91.05470	1.3
93.07060	0.5
95.04971	0.6
95.08615	0.5
97.02882	2.6
97.06526	0.3
99.04455	0.6
105.07048	0.5
107.04931	0.4
107.08604	0.5
109.02869	2.4
109.06548	0.3
109.10159	0.6
111.04411	0.3
119.04949	2.3
119.08587	0.4
121.06493	0.4
121.10150	0.5
122.06057	0.3
127.03923	2.7
131.08598	0.3
133.10155	0.3
135.04407	0.4
136.07544	0.6
137.05969	0.4
137.09702	0.2
145.04951	0.5
145.10092	0.3
147.03215	0.6
147.04405	12.2
147.11668	0.3
148.04794	0.6
149.02142	0.7
149.09586	0.5
158.27736	0.2
163.03943	0.3
164.07120	0.8
165.09192	0.5
167.03157	1.6
169.02628	2.5
169.04889	0.5
187.03700	0.5
187.06053	0.9
205.07147	0.5
209.04204	1.6
227.05287	0.9
229.04773	0.8
245.06267	0.4
247.08167	0.4
287.07855	2.2
313.07132	0.3
373.08963	9.2
391.09982	4.0
433.11069	0.7
475.26938	0.9
547.87024	0.3
577.15222	0.7
637.17358	100.0
638.17786	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
59.38378	0.4
63.21584	0.4
67.05511	0.8
69.03426	1.1
69.07071	0.6
69.98289	2.3
70.06593	0.9
71.04996	0.8
79.05508	0.6
81.03407	1.1
81.07056	1.0
83.05011	0.5
83.08642	0.4
84.04513	0.6
84.08172	0.5
85.02917	2.1
85.07690	0.4
91.05491	1.1
93.07064	0.5
95.04971	0.7
95.08584	0.7
97.02888	1.3
97.06540	1.3
99.04476	0.5
100.11257	0.7
105.07032	1.4
107.04958	0.6
107.08619	1.1
109.02890	1.5
109.06538	0.6
109.10148	0.6
111.04454	0.5
115.39748	0.4
117.07043	0.5
119.04953	1.5
119.08569	0.8
120.08173	0.5
121.10165	0.4
124.60591	0.4
125.06084	0.4
125.09665	0.4
127.03956	1.8
130.03989	0.4
133.10126	0.5
134.99608	0.4
137.06010	1.2
137.09743	0.4
147.04427	7.0
147.08067	0.5
150.11078	0.4
151.03940	1.2
159.07961	0.4
163.03947	0.6
164.07108	0.5
167.01927	0.5
167.03122	2.4
177.05519	1.0
182.15396	0.6
209.04358	0.9
210.14952	0.9
233.11693	0.6
237.02811	0.6
238.89453	0.4
269.71848	0.4
287.05392	0.8
303.04947	0.5
329.08450	12.4
331.07959	7.2
373.09064	0.4
414.38165	0.5
637.17389	100.0
638.17358	2.0
652.11499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20566	0.3
53.72077	0.3
55.05501	0.4
59.06093	0.4
61.02915	0.7
65.03920	0.4
67.05496	1.0
69.03422	1.4
69.07059	0.6
70.06590	0.6
72.08150	0.4
79.05482	0.8
81.03423	1.6
81.07043	1.1
83.01124	0.4
83.04964	0.5
85.02895	2.4
85.06516	0.4
89.06041	0.7
91.05480	1.5
93.07048	0.8
93.89487	0.3
95.04952	0.9
95.08632	0.7
97.02881	1.5
97.06574	0.5
99.04427	0.6
105.07078	0.8
107.04943	0.6
107.08595	1.0
109.02881	2.4
109.06511	0.4
109.10161	0.8
117.91828	0.3
119.04929	2.3
119.08585	0.7
121.02863	0.3
121.06489	0.4
121.10094	0.4
121.70679	0.4
122.06017	0.3
123.04435	0.4
123.08147	0.6
123.11594	0.4
125.05990	0.3
125.09624	0.8
127.03918	2.6
131.04843	0.3
133.10097	0.8
134.10500	0.4
136.07603	0.6
137.05994	1.0
145.02901	0.4
145.04941	0.4
145.10129	0.4
147.04407	9.5
147.05515	0.6
147.11681	0.8
148.04733	0.4
149.09618	0.6
151.03906	1.5
153.09163	0.4
163.03876	0.7
164.07091	0.6
165.09032	0.4
167.03162	3.4
169.02597	2.9
169.04907	0.5
173.13191	0.4
177.05533	0.4
187.03650	0.4
191.03271	0.5
191.14366	0.9
209.04250	1.4
209.15370	0.6
227.05521	0.4
229.04767	1.4
229.06900	0.5
245.06339	0.7
269.06174	0.5
287.07639	1.5
329.08441	0.8
331.07922	1.2
349.08582	0.4
371.16037	0.4
373.08948	4.8
391.09991	7.5
392.10501	0.4
415.09918	0.4
433.11209	1.4
475.26721	0.7
613.52808	0.4
637.17340	100.0
638.17755	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	633.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
65.44552	0.2
69.03425	0.4
70.06604	0.3
70.27091	0.2
70.72161	0.3
70.72491	0.5
71.04989	2.0
83.04960	0.3
85.02905	2.1
96.48376	0.2
97.06535	0.6
121.06477	0.3
129.05508	0.3
137.05994	0.6
148.07504	0.2
183.35623	0.2
185.04269	0.9
233.11723	0.3
243.08611	0.4
250.14348	0.4
289.07098	0.2
303.05090	1.0
304.05240	0.2
315.17752	0.2
324.02408	5.3
325.03006	1.5
326.06723	0.5
331.09976	8.1
332.10281	0.3
361.04120	0.6
373.26053	0.2
379.05145	0.3
381.01233	0.3
487.08408	1.1
633.14252	100.0
634.14606	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	634.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62112	0.5
53.03947	0.8
55.01867	1.5
55.05298	0.6
55.05513	6.4
57.03437	6.2
57.07066	0.6
58.57636	0.5
59.04985	2.1
61.02922	2.3
65.03943	0.9
65.05181	0.5
67.05505	45.2
69.03426	1.4
69.07068	3.7
69.44275	5.0
71.04982	2.1
72.14168	0.5
73.02895	1.1
76.15834	0.5
76.82199	0.5
79.05489	9.1
81.03416	2.4
81.06590	0.9
81.07059	13.2
83.01334	1.0
83.04967	2.5
83.08624	6.2
85.02898	3.6
85.06535	1.9
91.03963	1.2
91.05467	5.2
93.06472	0.9
93.07040	15.4
95.04986	2.7
95.08607	15.7
97.02919	3.1
97.03423	0.6
97.06520	2.3
97.10124	0.7
98.21544	1.1
99.04427	1.7
105.07015	3.5
106.11599	0.6
107.04973	3.9
107.08590	10.5
109.06483	1.2
109.10156	45.1
111.04430	0.8
111.08029	2.6
117.07035	4.0
119.04969	0.6
119.08580	7.6
121.06527	2.6
121.10147	6.1
125.05972	1.6
127.03897	0.6
130.07782	1.2
131.08530	0.7
133.10133	1.2
135.08043	1.1
135.11693	22.5
137.06012	0.8
137.09567	2.5
145.05128	0.6
145.10114	13.1
147.07971	0.6
155.10651	3.0
163.11177	28.9
164.11563	0.7
173.09538	0.8
173.11746	15.4
181.12219	5.9
184.07317	1.1
199.20151	0.5
209.11797	0.6
211.13329	1.5
227.12779	33.2
228.13213	0.7
229.14357	65.2
230.14694	0.6
278.21909	0.6
283.02036	0.6
283.15408	38.1
298.80035	0.6
318.56247	0.6
327.53751	0.5
396.56125	0.6
437.25357	100.0
438.25589	2.8
465.98169	0.6
581.29852	0.7
634.34833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01874	1.7
55.05508	9.1
57.03174	1.2
57.03438	11.0
57.07087	1.1
59.04994	2.7
61.02937	5.0
61.03205	1.0
62.06093	1.1
64.21266	0.8
65.03935	1.6
67.05506	61.9
67.80759	1.1
68.05819	1.1
69.03436	4.3
69.07061	5.1
71.05000	4.3
71.59092	1.2
71.59471	1.3
73.02921	1.8
79.05493	12.1
81.03422	37.6
81.07065	20.0
83.04979	8.1
83.08626	15.9
85.02908	17.5
85.06538	2.5
91.03949	3.2
91.04910	1.2
91.05479	14.9
93.07053	12.1
95.04972	12.8
95.08608	8.5
97.02905	5.4
97.06551	2.2
97.10183	2.1
99.04447	1.5
105.07041	10.8
107.04938	4.4
107.08591	8.1
109.02867	3.0
109.06505	2.4
109.10159	57.9
111.04434	1.6
111.08077	9.7
113.06010	1.7
114.62508	0.9
118.03716	0.8
119.08588	13.4
121.06529	1.2
121.10144	7.0
122.06053	1.4
123.08077	1.8
123.11682	2.6
125.09594	1.5
127.03952	2.0
129.06989	5.4
131.08589	5.8
133.06502	2.7
133.10147	7.6
135.11682	1.1
136.07585	1.1
137.05989	2.5
137.09605	3.3
142.07730	1.1
145.10091	2.1
147.08046	1.3
147.11705	8.8
149.09602	3.2
151.11188	2.7
155.10663	2.6
157.10110	8.4
159.11565	1.1
163.11240	1.4
165.12752	4.7
166.08595	1.5
173.11765	16.8
175.11183	11.1
177.05496	2.8
193.12251	24.8
194.12599	1.3
196.66458	1.2
211.13297	33.4
225.10373	1.1
229.14366	56.5
249.10190	1.1
249.15097	1.2
251.11757	2.6
263.11777	1.3
265.13312	2.2
267.15939	16.7
277.21701	1.3
279.11075	1.0
285.16971	27.9
294.13837	1.2
311.13959	2.1
335.25763	3.0
353.26813	2.7
371.27979	4.4
403.25095	1.3
421.25903	18.4
439.26913	100.0
440.27368	1.8
455.18631	1.1
505.62228	0.9
513.18591	3.8
515.20227	2.3
559.84613	1.0
604.22607	2.2
636.24731	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	632.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.1
51.08605	0.1
53.03932	0.5
55.01844	0.1
57.03421	0.1
60.08162	1.6
61.02917	0.2
65.03939	0.4
67.01858	0.3
67.05502	0.2
69.03424	0.7
69.07059	0.1
69.57104	0.8
71.04977	0.4
71.07356	0.5
79.05489	0.2
81.03414	2.0
81.07057	0.3
83.05000	0.2
83.08611	0.2
85.02917	0.8
86.09703	3.9
91.05478	3.1
93.07018	0.2
95.04942	0.2
95.08617	0.2
97.02882	2.0
97.06548	0.2
98.98451	0.3
99.04462	1.5
101.02354	0.1
103.03951	0.2
104.10740	8.2
105.07021	0.2
109.02871	3.7
111.04427	0.1
119.04941	9.5
124.99989	2.1
127.03912	10.1
133.10172	0.2
135.04495	0.1
137.05986	0.3
139.03857	0.2
145.04933	0.8
147.04402	100.0
148.04749	0.9
165.05524	0.3
167.14624	0.1
169.04953	1.1
177.05475	0.3
180.06505	0.1
184.07343	7.8
187.05984	1.1
187.07278	0.1
229.07033	2.4
243.06567	0.2
247.08153	1.3
255.06697	0.2
273.07541	2.9
309.09683	2.4
315.08585	0.5
320.85223	0.1
333.09827	0.2
351.10739	6.4
352.10663	0.1
393.11694	0.2
512.25928	0.3
614.29602	1.4
632.30487	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	632.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03940	2.3
55.01867	3.3
55.05515	5.7
57.03431	6.0
59.07109	0.8
61.02924	21.6
65.03952	2.1
67.01869	2.5
67.05504	16.6
67.89898	0.8
69.03432	10.2
69.07077	4.1
70.06585	1.5
71.01356	1.2
71.05005	6.1
71.59133	1.1
73.02911	7.4
75.33403	1.0
79.05495	17.8
81.03413	23.4
81.03852	1.5
81.07058	12.7
83.04974	6.7
83.08629	5.8
85.02905	23.3
85.06531	1.9
86.09711	2.1
87.04469	1.2
91.03957	10.4
91.05480	24.6
93.07046	18.4
95.04979	7.6
95.08604	6.5
97.02888	16.7
97.06525	4.6
97.10184	2.7
99.04449	5.6
100.63564	0.9
101.02372	1.4
103.03934	2.2
103.05505	1.4
105.07021	14.0
107.04940	8.6
107.08595	11.2
109.02888	7.8
109.06535	4.2
109.10155	5.5
110.06039	0.9
111.04439	1.8
111.06866	1.0
111.08112	3.1
113.06023	0.9
115.05460	1.3
116.07160	0.8
117.07008	5.0
119.04952	16.4
119.08588	8.9
121.06509	4.8
121.10133	12.6
122.06044	1.2
123.04427	6.6
123.08076	3.5
125.09678	2.5
127.03912	22.3
127.04792	1.5
128.06235	1.9
129.07002	5.8
131.04936	2.3
131.08560	9.7
132.07965	0.9
133.06509	10.0
133.10147	8.2
135.04411	11.8
135.08081	2.0
136.07567	1.4
137.05977	40.7
137.09660	1.7
139.11177	1.3
141.07005	1.5
142.07710	1.0
143.08580	2.3
144.05736	1.1
145.04985	2.1
145.06473	6.9
145.10149	2.2
147.04411	90.4
147.08006	5.8
147.11650	6.6
148.04768	2.3
149.06004	7.2
149.09622	12.5
151.03949	1.4
151.07503	1.0
151.11208	1.8
154.08650	1.5
155.08524	1.5
157.06532	3.6
157.10085	4.4
159.08032	4.4
159.11795	2.3
161.05981	29.0
161.09669	2.1
163.03928	2.2
163.07556	6.0
163.11230	1.4
164.07130	2.4
165.05554	2.2
165.12798	1.8
167.06996	1.0
167.10715	1.9
169.04970	0.9
169.06442	1.3
171.08115	3.1
173.05983	13.8
173.09663	2.3
175.07532	12.3
175.11145	5.9
177.05492	2.2
177.09135	1.2
179.07094	2.3
181.04903	1.0
181.06491	1.2
183.08092	2.9
184.07397	3.9
185.06023	1.6
185.09691	2.9
187.06027	1.5
187.07535	19.0
189.09103	7.4
191.07089	3.2
193.12233	8.9
195.08125	1.1
197.09732	1.9
199.07530	7.1
199.11151	1.2
201.09122	5.0
203.07120	3.5
205.08705	1.0
211.07597	1.1
211.11443	1.6
211.13229	5.9
213.09146	2.9
215.10757	2.0
217.08641	1.4
227.10777	1.9
229.07120	3.0
239.06912	1.0
247.08064	2.2
255.06715	1.1
257.15405	4.6
267.13794	3.9
267.16235	6.1
273.07584	16.2
274.07971	1.2
283.16864	1.7
285.14874	19.2
293.15414	1.8
301.18173	1.4
302.17502	6.3
303.15884	12.2
311.16415	9.0
313.18030	1.0
323.16434	1.3
329.17484	11.0
341.17365	4.3
343.01843	1.1
346.20108	2.3
347.18582	3.3
349.97125	1.0
351.10776	7.5
352.11243	1.1
358.20184	1.4
359.18631	3.9
376.21164	4.3
377.19534	5.0
385.20377	2.0
394.22192	4.8
402.22836	1.6
403.21158	33.0
404.21170	1.1
420.23804	23.6
420.28986	1.7
421.22797	2.7
434.25998	1.1
438.24866	38.8
439.25089	1.2
452.26450	14.6
470.27667	7.0
480.26535	1.1
546.27002	2.7
556.28119	1.1
564.28009	7.9
565.27594	1.1
579.86249	1.0
582.29083	100.0
583.29675	2.7
596.30688	2.4
600.30145	51.6
601.30457	2.2
614.31702	27.4
615.32336	1.3
632.32843	48.6
633.33435	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	632.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.1
53.03939	0.4
55.05511	0.2
61.02927	0.2
65.03932	0.4
67.01833	0.1
67.05500	0.2
69.03422	0.9
69.07054	0.2
70.06583	0.1
70.32560	0.2
70.32954	0.3
71.04980	0.4
80.06513	0.1
81.03418	1.5
81.07059	0.1
84.04453	0.2
85.02912	1.1
86.09689	0.1
91.05475	2.8
93.07043	0.1
94.19234	0.1
95.04928	0.1
95.30801	0.1
96.06991	0.1
97.02893	6.4
97.06557	0.2
99.04456	1.1
103.03893	0.2
105.07021	0.1
109.02883	2.9
111.04449	0.1
118.60867	0.1
119.04942	10.8
120.05306	0.1
121.06563	0.2
122.06041	0.1
123.04464	0.1
127.03920	6.1
133.10092	0.1
136.07645	0.2
137.05931	0.3
139.03906	1.5
145.04994	0.3
147.04407	100.0
148.04762	1.1
164.07076	0.1
165.05499	0.5
169.04936	0.8
177.05432	0.2
184.07333	0.1
187.06029	1.6
229.07076	1.4
247.08141	1.8
273.07550	0.4
291.08636	0.2
309.09631	1.1
351.10742	12.7
393.11801	0.3
598.00555	0.1
632.25836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07673	0.3
53.03937	0.4
55.01857	0.3
55.05512	0.5
62.48220	0.3
65.03934	0.5
67.05499	0.7
69.03433	2.2
70.06582	0.7
70.72537	0.6
70.72909	0.6
81.03413	1.9
81.07030	0.5
83.04977	0.5
84.04483	0.3
85.02911	2.9
86.09682	0.5
87.05513	0.3
91.05482	3.8
94.06596	0.3
95.04993	0.4
97.02274	0.6
97.02895	7.7
97.06541	0.7
99.04478	1.6
100.35228	0.3
105.07026	0.6
107.04940	0.4
107.08581	0.7
109.02894	4.2
109.06476	0.5
109.10226	0.4
110.82426	0.3
111.08125	0.3
119.04952	12.3
119.08614	0.5
121.06505	0.4
121.10149	0.3
122.06046	0.5
127.03912	3.1
133.10143	0.4
137.05995	1.0
139.03928	1.7
145.02850	0.4
145.04962	0.8
147.04416	100.0
148.04756	0.6
151.03940	0.3
153.05469	0.3
159.08076	0.4
165.05508	0.4
165.09087	0.4
169.05002	1.4
177.05490	1.1
184.07466	0.4
187.06021	0.9
247.08221	0.6
259.09589	0.5
273.07770	0.5
315.08667	1.6
329.11255	0.3
348.02975	0.3
351.10754	7.8
351.15048	0.4
393.11856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.05512	0.4
60.04530	0.3
61.02916	0.4
65.03934	0.4
67.01867	0.6
67.05493	0.3
69.03435	1.1
69.07061	0.3
69.44746	0.2
70.06600	0.3
70.92044	0.3
70.92384	0.5
70.96284	0.2
71.04984	0.5
72.08118	0.2
79.05492	0.5
81.03419	2.1
81.07053	0.3
83.04983	0.3
85.02886	1.6
86.09703	0.4
91.05476	3.5
93.07036	0.7
93.75095	0.2
95.04959	0.5
95.08621	0.4
97.02893	3.9
97.06542	0.3
98.97547	0.3
99.04436	0.7
100.18063	0.2
104.10747	0.2
107.04945	0.3
107.08589	0.4
109.02888	4.7
109.06541	0.2
109.10107	0.3
119.04946	12.4
119.08531	0.3
121.06474	0.3
125.09631	0.3
127.03917	4.6
136.07579	0.3
137.05952	0.5
139.03888	0.5
145.02806	0.3
145.04961	0.4
145.10107	0.3
147.04408	100.0
148.04716	0.5
151.03893	0.3
163.07527	0.3
165.05478	1.0
169.04951	1.0
177.05452	0.6
184.07336	0.3
185.05988	0.3
205.07039	0.4
229.07086	0.9
254.29247	0.2
271.57840	0.2
273.07584	3.5
309.09674	7.9
351.10809	1.0
365.55814	0.2
393.11700	2.0
453.15802	0.2
632.26837	0.3
632.36761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.1
53.03944	0.7
53.65028	0.1
55.01862	0.4
55.05487	0.3
57.03427	0.3
60.08145	0.4
60.49480	0.1
61.02925	0.8
61.84445	0.1
65.03941	0.4
67.01864	1.2
67.05491	0.6
69.03426	1.5
69.07039	0.4
70.06578	0.4
71.04995	0.8
71.07368	0.1
71.58384	0.2
73.02912	0.4
78.80167	0.2
79.05486	0.6
81.03417	3.1
81.07041	0.6
83.04969	0.2
83.08614	0.3
85.02901	2.0
86.09719	1.4
91.03966	0.3
91.05479	4.0
92.71717	0.1
93.07047	0.8
95.04957	0.4
95.08598	0.2
95.13116	0.1
97.02895	2.0
97.06532	0.5
98.98451	0.2
99.04443	3.1
103.03899	0.4
104.10744	0.9
105.07022	0.6
107.04952	0.4
107.08578	0.6
109.02127	0.3
109.02878	5.3
109.06521	0.2
109.10128	0.3
111.04414	0.2
117.07013	0.3
119.04939	13.0
119.08591	0.4
121.06446	0.2
121.10109	0.4
122.05983	0.2
123.04434	0.3
123.11678	0.1
125.00014	1.0
127.03915	16.9
128.06204	0.2
129.06966	0.1
131.08574	0.4
133.06488	0.4
133.10155	0.3
135.04367	0.4
137.05972	1.9
137.09624	0.2
139.03891	0.2
140.07091	0.3
145.04967	0.9
145.06468	0.4
145.43713	0.1
147.04405	100.0
148.04761	0.9
149.05988	0.2
149.09627	0.5
151.03951	0.1
157.10135	0.4
161.05989	1.1
163.03943	0.2
163.07422	0.2
164.07094	0.2
165.05505	0.5
168.06540	0.3
169.04979	1.0
173.06015	0.6
175.07542	0.4
175.11192	0.2
177.05502	0.4
181.06520	0.2
183.08049	0.2
184.07343	5.0
187.06009	1.9
187.07558	0.9
189.09024	0.2
193.12288	0.4
199.07594	0.3
229.07045	3.8
233.11743	0.2
247.08122	2.4
250.14398	0.1
255.06557	0.8
267.16016	0.2
273.07565	14.0
274.07886	0.3
285.14908	0.4
303.05066	0.4
303.15912	0.3
311.16376	0.3
329.17511	0.2
351.10745	12.4
360.95773	0.1
371.88318	0.2
393.11749	0.2
394.22186	0.2
403.21127	0.8
419.11530	0.3
420.23883	1.0
438.24890	1.3
447.72934	0.1
452.26367	0.5
564.27936	0.2
582.20404	0.2
582.29083	3.5
600.29944	1.7
614.22675	0.1
614.31720	1.5
632.31384	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92712	16.0
55.05503	19.6
56.82412	15.3
60.34844	14.7
67.05479	32.1
69.03433	17.6
69.07058	20.4
71.58937	23.5
74.48334	19.7
81.07050	33.4
81.28975	17.9
83.08617	20.5
85.02881	17.0
91.05444	22.2
105.06994	21.1
110.60872	18.0
119.08581	18.0
137.06013	21.2
140.61850	16.3
144.24228	16.8
145.02759	18.2
147.11691	19.5
150.09160	77.3
152.84792	16.3
182.55617	16.4
230.84308	15.9
231.08122	17.3
251.11752	34.6
265.13467	18.1
280.80573	17.8
289.08401	23.2
299.13940	20.7
309.12393	53.9
311.13940	30.7
327.13367	55.3
337.11899	36.9
339.13464	16.3
364.06354	20.2
369.14398	54.5
371.15985	46.5
432.19315	23.7
460.18774	100.0
476.21750	61.1
480.21072	19.7
492.21106	65.1
569.26642	26.4
629.28442	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	630.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.3
57.07081	35.1
59.04998	1.1
67.05172	1.6
67.05508	18.4
68.05846	1.1
69.03432	1.3
69.07071	4.0
69.39127	3.9
69.39551	6.6
70.57244	1.0
71.08634	25.8
73.06556	8.4
79.05498	5.8
81.07069	5.4
83.08630	3.6
85.10186	20.6
87.04472	6.4
89.06034	100.0
91.05466	3.7
93.07021	5.9
95.04992	1.4
95.08594	5.4
97.10178	3.7
99.11746	4.9
105.07020	2.6
107.07085	4.4
107.08595	3.8
109.10170	12.2
111.11710	1.2
117.09136	6.6
118.09480	1.0
119.08608	3.4
121.10129	2.8
130.08655	6.0
131.07027	2.2
131.08644	1.4
133.08607	50.8
133.10130	2.1
135.10178	1.6
155.17976	5.8
161.11697	2.9
173.11798	1.4
175.09738	1.5
177.11229	22.8
198.14958	4.2
199.20583	4.1
221.11873	1.5
221.13582	4.8
225.06795	1.1
239.14864	3.0
240.23265	2.3
243.23187	10.1
265.16571	1.0
283.17529	3.1
287.25864	7.2
304.26266	1.3
327.20126	1.7
352.15375	1.2
422.52304	1.2
459.28003	4.5
489.35727	26.0
490.36279	2.8
612.36237	2.0
613.45502	9.6
630.47906	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	629.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30528	2.8
58.04957	3.0
61.02918	3.2
61.63376	3.1
67.05492	13.4
71.04966	9.9
79.05476	6.0
81.07072	7.6
91.05472	6.3
91.77675	3.8
93.07063	6.8
94.06554	7.2
95.08596	6.4
105.07043	4.4
107.04994	4.7
107.07327	7.9
108.08166	5.1
109.10137	5.6
117.07008	3.4
121.10077	4.5
122.06073	15.5
122.09665	13.7
122.10473	3.6
131.99521	3.1
135.06837	4.4
136.07567	11.4
137.05992	16.8
138.09044	3.1
150.09143	74.8
160.03970	5.1
164.07188	7.2
166.08620	5.6
191.06360	3.5
193.08789	3.1
198.30589	3.1
213.10179	4.0
222.11470	4.1
223.08739	8.3
225.10286	18.3
226.11050	5.4
237.10265	9.2
237.13907	5.2
238.10974	6.4
239.08229	7.1
239.11819	12.7
249.10310	10.6
250.10931	6.9
251.08151	4.1
251.11803	26.3
252.08798	3.4
252.12663	5.2
253.09698	4.9
253.13303	7.9
254.10515	8.0
263.11835	29.6
264.08829	3.6
264.12585	11.8
265.09808	10.3
265.13364	35.0
266.14221	3.9
267.11380	5.6
267.14728	5.4
277.09909	5.4
279.11325	14.9
281.12830	11.9
282.13687	4.8
283.10727	7.9
285.12161	6.4
291.11334	7.4
293.12833	13.4
294.13644	5.0
295.11002	5.4
295.14206	3.6
296.11493	5.2
297.12305	12.2
299.14008	7.5
309.12347	69.0
311.13925	36.6
319.10727	4.3
321.12360	15.3
324.11008	6.7
325.11838	6.2
327.13397	65.1
333.17508	3.8
337.11945	22.7
338.12668	11.3
339.13522	17.6
357.14349	4.4
359.15952	4.4
369.14459	54.1
370.14987	4.5
371.16025	49.7
377.18384	3.4
416.19470	7.7
432.19098	24.8
448.18509	18.5
460.18719	100.0
461.18597	3.5
476.21915	34.9
480.21326	19.4
492.21329	68.0
597.27197	17.0
652.68231	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	629.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92712	16.0
55.05503	19.6
56.82412	15.3
60.34844	14.7
67.05479	32.1
69.03433	17.6
69.07058	20.4
71.58937	23.5
74.48334	19.7
81.07050	33.4
81.28975	17.9
83.08617	20.5
85.02881	17.0
91.05444	22.2
105.06994	21.1
110.60872	18.0
119.08581	18.0
137.06013	21.2
140.61850	16.3
144.24228	16.8
145.02759	18.2
147.11691	19.5
150.09160	77.3
152.84792	16.3
182.55617	16.4
230.84308	15.9
231.08122	17.3
251.11752	34.6
265.13467	18.1
280.80573	17.8
289.08401	23.2
299.13940	20.7
309.12393	53.9
311.13940	30.7
327.13367	55.3
337.11899	36.9
339.13464	16.3
364.06354	20.2
369.14398	54.5
371.15985	46.5
432.19315	23.7
460.18774	100.0
476.21750	61.1
480.21072	19.7
492.21106	65.1
569.26642	26.4
629.28442	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	629.2246
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
63.81160	0.4
69.96167	0.6
69.96577	2.0
93.07100	0.6
96.08967	0.4
105.07111	0.5
109.10233	0.5
117.07059	0.5
124.19848	0.5
284.62900	0.4
358.29739	0.5
396.12186	1.9
397.13080	2.3
398.13504	1.0
399.14783	1.3
400.15549	0.7
409.13217	0.6
410.13611	2.8
411.14539	8.0
411.19913	0.6
412.15308	4.8
413.16183	5.5
414.16901	1.1
423.14639	1.9
424.10934	0.9
424.16290	2.7
425.16345	16.2
426.16959	10.9
427.17740	4.1
428.18469	4.2
437.16327	0.7
438.12500	3.4
439.13593	22.5
440.13879	1.6
440.19244	7.8
441.19318	44.8
442.19846	3.3
444.17792	0.8
451.17993	0.8
452.14310	3.7
453.15430	26.6
454.15793	7.3
455.21353	1.0
456.17993	1.9
457.15192	1.4
463.14209	1.1
466.16812	1.3
467.17181	29.9
468.17947	24.4
469.18872	11.2
470.19437	1.3
471.16626	2.4
472.17789	1.0
478.16092	0.5
480.17007	1.5
481.14536	8.8
482.14844	2.8
483.16394	0.6
484.22073	3.9
485.18484	3.2
485.23309	0.6
486.19177	1.1
494.18134	1.6
495.16769	1.7
495.20514	1.4
496.17221	13.8
497.17731	2.1
498.19012	1.7
499.19824	1.5
500.20761	4.8
508.20068	0.9
509.18619	1.4
512.21313	3.3
513.21826	6.8
514.22699	1.1
522.17969	1.4
523.19556	1.9
525.21289	0.5
526.18317	1.3
528.19763	1.2
531.22156	1.1
537.18878	0.9
539.19476	0.6
541.20886	48.7
542.21271	2.2
551.19403	0.7
553.20941	1.2
557.20435	0.5
559.21552	0.5
568.19403	0.8
569.20306	98.2
570.20734	4.8
572.19196	1.2
573.23468	2.5
587.21771	1.0
588.93134	0.5
597.19745	34.3
598.20239	1.2
600.21967	2.3
601.22974	17.7
602.23389	0.5
611.21204	0.6
615.20831	1.9
629.22284	100.0
630.22668	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66967	1.4
52.81096	1.4
53.03942	5.7
55.01875	12.5
55.05262	2.2
55.05515	35.9
57.03437	8.5
57.07068	4.5
65.03950	4.8
67.05508	88.3
69.03442	3.1
69.07073	33.4
71.05003	4.8
71.08646	2.7
75.04515	1.5
77.03930	1.9
79.05495	66.0
81.03426	3.4
81.07059	100.0
83.04994	6.7
83.08625	16.9
85.06557	4.9
89.06065	3.3
91.05485	53.1
93.06465	3.5
93.07049	70.0
95.04972	16.4
95.08609	59.8
97.06537	16.1
97.10179	8.6
98.20688	3.1
99.08102	2.9
103.05447	1.6
105.04519	1.8
105.07030	47.8
107.04967	5.8
107.08598	45.2
109.06519	12.9
109.10162	28.0
111.08102	4.7
117.07029	17.5
119.08585	43.8
121.06530	5.3
121.10148	32.0
121.11020	1.9
123.08064	8.2
123.11687	10.5
125.09645	7.3
129.06998	8.6
131.08566	28.4
133.06516	2.8
133.10130	27.4
135.08055	6.3
135.11687	16.4
135.93681	1.6
137.09633	4.6
137.13309	2.8
139.11189	2.9
141.07011	2.9
143.08577	9.4
145.06506	1.5
145.10129	22.7
147.08090	2.0
147.11697	25.9
147.12788	2.7
149.09630	13.1
149.13222	9.9
155.08557	6.2
157.10124	11.6
159.08264	1.7
159.11679	17.6
161.09651	2.9
161.13228	8.2
163.11188	8.8
163.14886	2.8
165.12775	3.7
168.09439	1.5
169.10182	4.5
171.11705	8.3
173.09695	2.9
173.11838	2.6
173.13179	10.1
175.11238	3.4
175.14931	4.8
181.10153	2.1
183.11719	6.3
185.13356	4.4
187.11252	1.8
187.14832	5.0
189.11305	2.8
189.16444	1.9
195.11774	3.1
197.13359	5.6
199.14925	3.1
201.16420	1.8
211.14879	4.4
213.16466	2.7
219.17490	2.0
227.12817	3.4
229.19659	2.9
239.18001	3.1
241.14209	1.6
241.19627	2.2
243.21031	1.8
247.20732	3.8
257.18961	9.1
259.20627	3.9
261.22202	6.7
267.16089	2.8
267.20956	2.1
267.70386	1.7
275.20074	49.1
277.21783	2.0
282.66138	1.8
293.21228	6.7
331.22549	2.4
335.25818	36.9
349.23770	24.0
351.25391	2.8
506.03317	1.6
515.37469	3.7
517.40271	2.9
529.38824	3.6
535.41565	7.9
553.42426	3.2
609.45105	50.1
627.46301	86.9
628.47119	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	627.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56517	0.4
56.96566	17.8
61.02919	0.4
64.98438	0.3
67.05486	0.8
70.36362	0.3
71.95261	2.7
72.96008	1.0
74.97582	1.4
75.23552	0.3
79.05438	0.4
81.07034	1.2
84.08859	0.3
84.96011	1.6
85.49807	0.4
86.97595	0.5
87.96312	0.3
91.05441	0.7
92.98624	0.4
93.07005	1.0
95.08588	0.5
97.96783	0.7
97.99158	0.5
98.21525	0.6
98.97543	0.4
102.97027	0.4
105.07002	1.1
107.08597	0.5
110.97533	2.0
115.97813	0.8
116.98623	0.9
119.08578	0.5
119.10274	0.3
121.10106	0.5
123.01180	0.7
124.72351	0.4
127.50157	0.4
128.98604	4.6
131.08557	0.3
133.98886	0.9
141.02226	0.4
143.00169	0.5
146.99658	11.8
147.11697	0.4
148.10799	0.3
151.76558	0.4
152.00021	0.5
155.03752	0.7
161.01222	2.7
161.04820	0.6
165.00703	3.2
169.01750	0.5
169.05371	0.4
170.01244	1.3
171.03282	0.5
175.02794	1.0
179.02264	1.4
181.05380	0.4
185.04797	0.6
187.02902	0.4
188.03561	0.5
189.04329	2.2
190.05164	0.5
193.03777	0.6
197.04878	0.5
201.04396	0.5
203.04074	0.4
203.05879	1.7
208.06342	0.5
217.07465	0.7
219.08974	0.6
222.07913	0.4
227.09570	0.7
237.10063	0.5
241.11148	1.5
245.10620	0.7
247.10031	0.4
252.10378	1.2
259.12115	1.9
263.09589	3.6
265.11032	0.6
270.11475	0.8
277.11081	0.9
281.10565	1.4
282.11249	0.4
285.11697	0.5
286.11041	0.8
289.11060	0.6
291.12598	0.6
303.12616	1.8
308.75616	0.3
313.14734	1.1
315.16281	39.5
317.14120	0.7
321.13718	0.8
326.14096	0.5
331.15833	2.9
333.17358	100.0
334.17590	1.7
349.16934	0.4
350.20560	0.4
351.18420	62.7
352.18762	0.9
354.17517	0.7
356.18973	28.0
357.19119	0.8
369.19507	2.3
374.20065	19.7
375.20261	0.5
392.21045	0.5
397.21732	1.2
511.61295	0.4
591.37091	2.8
609.38470	0.7
627.27844	0.5
627.37512	0.5
627.46509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01875	22.6
55.05513	43.9
55.41953	2.4
57.03436	13.2
57.07073	5.0
59.04986	2.8
63.28481	2.2
65.03928	5.6
67.05508	100.0
69.07069	36.5
71.04991	6.4
71.08624	3.1
71.36709	2.7
71.37063	2.6
79.05495	77.2
79.05965	4.0
79.06431	2.4
81.03422	4.5
81.06579	4.8
81.07059	92.0
83.04996	10.0
83.08618	17.6
83.86467	2.4
85.06538	3.7
86.51685	2.2
88.84054	2.7
91.05485	65.4
93.07047	83.9
95.04984	13.3
95.08607	69.9
97.06545	27.3
97.10165	16.5
97.93539	2.0
99.08106	3.0
105.07031	61.6
107.04955	14.3
107.08591	66.0
107.09292	4.1
107.76982	2.1
109.06516	8.9
109.10155	37.3
111.08087	5.1
115.05467	3.0
117.07030	22.6
119.08582	45.5
121.06551	3.4
121.10133	31.3
123.08106	4.1
123.11716	15.5
125.09635	11.2
129.06996	13.6
130.07756	2.6
131.08571	34.9
133.10129	41.3
135.08098	6.0
135.11703	20.8
137.09651	4.2
137.13330	3.2
141.07053	3.6
143.08531	15.3
145.10120	36.4
147.08092	2.5
147.11714	28.8
149.09605	27.2
149.13219	13.1
155.08600	7.4
156.43216	2.0
157.09019	3.6
157.10109	15.3
159.11690	28.0
161.09669	3.5
161.13252	15.5
163.11217	9.8
163.14839	5.5
167.08627	3.4
169.10172	7.7
171.10480	2.4
171.11655	13.3
173.11902	3.5
173.13245	16.5
175.11278	2.3
175.14870	5.6
177.12859	3.1
177.16504	2.3
179.14395	2.6
179.27678	2.6
181.10199	2.8
183.11702	10.5
185.13242	13.2
187.11281	3.5
187.13387	3.4
187.14867	8.7
189.11304	7.0
189.16409	4.8
191.14330	2.6
195.11719	5.2
197.13388	5.1
199.14894	8.8
201.16516	5.5
205.15816	3.3
209.13260	3.2
211.14912	6.9
213.16434	4.7
215.14465	3.0
215.17970	4.6
219.17514	2.5
225.16502	3.5
227.12741	13.4
227.18103	2.8
229.19559	3.9
239.18138	6.1
241.19710	3.9
247.20714	3.4
257.19122	10.7
259.20667	6.3
261.22205	7.2
275.20044	74.1
277.21701	5.0
285.22195	2.6
287.20563	2.4
293.21234	9.1
317.24789	3.5
329.70773	2.3
331.22632	2.6
333.24240	5.2
335.25806	55.1
336.85452	2.5
349.23718	42.5
351.25348	2.6
367.30334	4.6
423.32733	3.0
441.33972	3.5
505.35501	3.9
515.37408	7.8
517.40430	6.1
535.41571	9.9
553.41388	3.4
555.40515	2.7
591.44519	3.6
609.45135	93.9
627.46265	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96462	13.7
56.96956	0.5
63.36365	0.3
67.05416	0.6
69.34621	0.8
69.35044	1.7
71.95144	2.3
71.95573	0.3
72.95969	0.4
74.97493	1.4
79.05421	0.4
81.06944	0.7
84.95897	1.1
91.05368	0.5
91.74744	0.3
92.98562	0.4
93.06959	0.6
94.04640	0.3
97.02774	0.3
97.96738	0.8
97.99106	0.6
98.97512	0.4
99.98247	0.3
100.59385	0.2
100.76629	0.3
105.06910	0.5
107.08465	0.4
110.97538	1.8
115.97695	0.7
115.98503	0.2
116.98548	0.6
119.08485	0.6
123.01090	0.7
128.98607	5.6
131.00011	0.5
133.10020	0.3
133.98741	0.7
134.99561	0.6
137.02657	0.5
141.02158	0.6
143.00040	0.4
145.01492	0.3
146.99655	10.9
147.03185	0.5
152.00024	0.6
155.03644	1.1
161.01187	2.4
161.04726	0.7
163.02721	0.4
165.00739	3.1
169.05263	0.6
170.01256	1.6
171.03104	0.9
175.02705	0.7
175.06320	0.4
176.03464	0.3
177.04288	0.3
179.02296	1.4
181.05225	0.3
183.03146	0.4
183.06833	0.4
184.02615	0.3
185.04721	0.8
187.02692	0.6
188.02185	0.4
189.04349	2.2
190.05125	0.6
191.05774	0.4
193.03767	0.7
199.06308	0.4
201.04274	0.3
203.04117	0.3
203.05898	2.1
205.07396	0.4
207.05115	0.3
208.06177	0.5
209.04839	0.2
209.06731	0.3
215.05765	0.3
217.07343	0.6
221.04813	0.4
221.06732	0.4
223.08388	0.6
227.09563	0.7
231.08821	0.3
237.09982	0.4
239.09384	0.5
241.11169	1.6
245.08388	0.4
245.10567	0.6
252.10283	1.3
259.12213	2.1
259.20575	0.3
263.09586	3.2
264.10178	0.5
264.12744	0.5
265.10977	0.5
270.11401	1.2
275.12042	0.3
277.11096	0.7
281.10602	1.7
282.11334	0.7
283.12085	0.4
285.11615	0.3
286.10959	0.6
289.11160	0.6
291.12598	0.3
303.12686	1.7
312.12473	0.4
313.14822	0.8
315.16302	37.9
316.16595	0.4
317.14380	0.4
321.13678	0.9
331.15836	2.4
333.17365	100.0
334.17682	1.8
349.16745	0.6
351.18423	62.4
352.18753	1.2
354.17343	0.5
356.18982	25.3
357.19412	0.9
360.22571	0.3
369.19525	1.9
374.20026	18.8
375.20319	0.7
392.21161	0.5
397.21964	1.8
397.26538	0.4
591.37274	3.2
609.38843	1.0
627.38458	0.5
627.47876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2814
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.91200	0.4
55.05491	0.6
66.92622	0.6
67.05501	2.2
70.30315	2.1
72.43549	0.4
79.05487	1.3
79.88526	0.6
81.07072	1.0
91.05489	1.7
93.07055	1.4
94.06599	0.4
95.08639	0.5
98.20779	0.7
105.07057	0.6
109.10184	0.6
120.04499	0.7
121.10131	0.6
131.07339	1.0
131.08580	0.8
133.10152	0.9
136.07600	1.8
138.09021	0.5
144.08090	0.8
145.10168	0.9
146.06093	0.7
146.09673	0.9
147.11818	0.5
156.08185	0.6
159.11728	0.5
174.09171	3.5
182.09767	0.8
186.09196	0.7
187.08807	0.7
187.12309	4.0
188.10809	1.8
190.04967	0.7
197.10741	0.9
199.08710	0.9
199.15068	0.6
209.10904	0.6
211.08734	1.3
212.09274	0.7
213.10197	0.7
215.11838	2.4
223.08696	0.8
224.09309	0.6
225.10287	2.8
226.10918	0.7
227.11667	2.4
235.08784	1.1
238.10791	0.6
239.11717	2.7
240.12666	0.6
241.13495	1.7
243.11290	18.1
243.13586	1.0
249.10353	1.6
251.11819	1.6
252.09042	1.3
253.09845	2.1
267.11258	6.1
267.13559	0.6
269.12918	2.0
277.09827	2.3
285.12543	2.2
293.12897	0.8
295.10681	2.7
299.14154	1.2
301.15573	2.5
304.11035	1.0
309.12469	1.5
311.14307	0.5
314.13113	1.6
315.13876	1.5
316.10989	1.2
318.12354	0.8
319.10660	0.8
319.14279	0.7
325.15509	5.2
327.13477	5.2
328.10828	2.6
328.14606	1.8
329.11856	1.6
330.12457	2.3
330.15866	1.2
331.13196	1.1
334.15402	0.8
340.14551	0.6
341.11639	0.6
342.12393	2.9
342.16107	0.7
343.13281	1.9
344.13953	2.6
344.17703	1.0
345.14755	0.9
346.15652	1.7
348.13528	2.4
350.31125	0.6
351.13370	0.8
354.12286	0.8
356.13953	3.3
356.17905	0.6
357.14902	1.4
358.15402	3.2
360.17242	0.9
366.18289	0.8
369.14935	0.8
370.15640	2.3
371.16528	1.0
372.17218	3.7
373.17722	0.7
374.18857	0.7
384.13251	0.7
384.17566	1.0
386.14651	1.2
386.18805	1.6
398.15109	0.9
399.15768	0.7
400.16501	2.3
403.15671	0.7
412.16159	0.7
417.17267	1.0
418.17853	1.1
419.18777	1.1
420.17224	1.0
421.16763	1.5
430.17529	1.2
431.18774	1.2
432.19662	3.5
435.14554	1.6
436.19940	0.9
437.19922	1.8
447.21799	2.0
448.15637	0.8
449.15387	1.0
449.20660	1.1
450.16901	1.5
451.17688	1.7
460.18341	1.2
461.23471	1.7
462.25073	2.7
463.21921	3.0
464.18167	0.9
465.18936	11.3
474.20242	0.7
477.23358	0.7
478.20145	1.3
479.20685	5.1
480.21851	3.9
481.22504	2.5
489.22861	1.4
490.20227	0.9
491.21014	1.5
492.21686	3.5
493.23199	3.6
494.23431	0.8
495.16647	2.9
504.21277	2.2
505.22104	0.6
506.23438	0.8
507.24063	3.7
508.21603	0.8
517.22461	1.2
520.21124	1.6
521.25873	1.1
527.19165	0.7
535.23535	6.4
536.18951	0.7
537.21289	0.8
539.26520	0.8
549.25012	10.3
550.24054	0.7
552.23914	1.0
553.24805	1.2
563.22369	0.9
567.18768	3.3
567.26080	48.7
568.26300	1.5
585.19684	0.8
595.25531	34.1
596.25983	1.1
609.26801	0.9
627.28162	100.0
628.19818	2.9
628.29224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01877	0.4
56.11463	0.2
57.03437	0.5
61.02915	1.0
67.65498	0.2
68.96875	0.2
68.99776	0.3
69.03436	1.7
69.59617	1.8
70.06599	0.5
70.25681	0.2
71.04987	1.4
71.40202	0.2
73.02908	0.3
81.03419	1.4
82.69834	0.2
85.02911	8.5
90.38263	0.2
91.03943	0.5
93.03396	0.2
95.04965	0.3
97.02894	2.7
97.06514	0.3
99.04453	0.5
107.04929	0.3
109.02882	0.6
111.00797	1.1
116.98520	0.2
121.02881	0.8
127.03928	2.1
129.05484	0.4
137.02353	2.7
137.05998	0.3
141.26797	0.2
145.04962	2.2
149.02322	0.3
153.01826	3.0
163.03917	0.6
163.06094	0.2
164.07034	0.3
165.01877	1.9
166.02719	0.3
183.02910	0.7
187.03934	0.3
191.03363	0.2
200.91023	0.2
201.05551	1.3
229.04964	4.2
243.38057	0.2
247.06053	0.8
257.04471	2.7
259.05276	0.2
273.67529	0.2
274.04712	0.7
285.03995	1.2
285.12296	0.5
303.05005	100.0
304.05362	3.7
319.04507	6.5
377.01761	0.3
378.02029	0.4
386.26959	0.3
465.10327	15.9
466.10468	0.3
534.92603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01867	7.7
55.05511	20.8
57.03437	4.9
57.07060	2.7
60.78868	1.4
61.02934	1.4
67.05169	2.7
67.05508	39.0
67.30470	1.3
69.07066	20.4
71.05000	2.7
71.59076	2.2
79.05492	29.1
79.45416	1.5
81.03420	3.9
81.07057	37.7
83.04979	4.7
83.08615	10.5
85.02915	2.9
85.06532	3.3
91.05484	25.4
93.07053	30.0
95.04985	6.7
95.08612	24.8
97.06534	8.1
97.10188	9.2
99.08118	2.7
103.05444	1.6
105.07032	30.0
107.04961	2.8
107.08599	19.3
109.06548	4.3
109.10140	14.6
111.08103	5.3
115.05458	3.9
117.07014	11.2
119.08575	19.4
121.06541	2.6
121.10140	10.4
123.08084	3.5
123.11723	5.5
125.09670	6.7
128.06279	2.7
129.07016	11.2
131.08572	18.0
133.06520	2.7
133.10147	17.8
135.07970	1.8
135.11713	6.4
137.09592	1.9
139.11203	2.0
141.07018	6.0
142.07813	1.8
143.08562	16.4
145.10107	17.0
147.08073	3.6
147.11694	10.0
149.09630	3.4
149.13290	4.0
151.11266	2.0
155.08553	12.2
156.09428	2.0
157.10124	13.6
159.08058	1.8
159.11708	12.9
161.09666	1.7
161.13287	4.7
163.11232	4.7
163.14832	2.8
167.08574	3.6
168.09334	2.2
169.10121	12.6
171.11682	11.4
173.11996	1.8
173.13257	8.9
175.14867	2.2
179.08572	2.7
181.10167	7.4
181.12080	1.5
183.11720	12.1
183.95813	1.5
185.09727	2.3
185.13298	11.0
187.13354	1.9
187.14912	4.1
193.10138	2.3
195.11729	6.1
197.13168	8.9
199.14827	8.5
201.16348	2.2
207.11774	2.8
209.13289	5.8
211.14893	4.3
213.16446	3.7
221.13289	2.2
223.14929	4.3
225.16415	4.3
227.12711	3.4
227.18034	2.3
235.14906	2.5
237.16464	3.4
239.18005	3.2
241.19583	2.9
243.15985	2.2
247.14786	1.4
249.16478	2.5
251.17949	2.0
253.19606	1.7
257.19089	3.4
259.20627	2.5
273.18512	5.2
275.20120	7.6
291.19659	1.6
313.21771	1.7
323.23547	2.6
325.21698	2.3
333.24896	1.5
339.16382	1.6
349.23843	4.4
360.53564	1.8
365.28690	2.3
439.32318	2.7
513.35791	16.4
515.38849	7.0
527.37177	3.7
533.39972	6.8
551.40979	5.1
553.39056	4.8
589.42499	3.8
607.43579	39.9
625.44617	100.0
626.44464	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01873	6.2
55.05512	23.9
57.03431	6.1
57.07071	3.4
65.03938	1.8
65.38242	1.3
67.05505	42.6
69.03429	1.6
69.07069	17.5
69.31932	14.9
71.04995	3.1
73.03931	1.4
79.05491	31.2
81.03441	1.7
81.07054	41.4
83.04990	5.0
83.08617	10.6
85.02930	1.4
85.06558	3.8
91.05485	29.3
93.07039	27.7
95.04980	6.2
95.08611	30.7
97.06505	7.1
97.10158	10.3
99.08134	1.3
103.32034	1.3
105.07035	30.4
105.07764	1.5
107.04951	3.4
107.08602	19.2
109.06535	3.5
109.10168	18.4
111.08095	3.6
115.05466	2.8
117.07018	16.3
119.08582	24.4
119.09358	2.1
121.06508	1.9
121.10153	14.0
123.08074	3.4
123.11741	6.0
125.09608	7.0
128.06207	3.0
129.07001	12.3
130.14960	1.2
131.08566	22.9
133.10121	16.8
135.08047	4.0
135.11678	7.5
137.09657	2.1
138.65419	1.6
139.11125	1.6
141.07014	4.9
142.07739	2.2
143.08566	17.3
144.09273	1.6
145.06496	1.8
145.10129	20.8
147.11699	12.8
149.09642	4.7
149.13324	4.6
151.11246	1.5
153.07011	1.6
154.07744	1.6
155.08554	12.7
157.10141	16.1
158.10674	1.5
159.08115	1.8
159.11699	16.1
161.13274	4.8
163.11186	1.5
166.07866	1.7
167.08563	3.1
169.10118	12.8
171.08113	1.9
171.11676	14.8
173.13284	11.2
175.14813	3.1
179.08539	2.3
181.10139	6.9
182.10866	1.9
183.11664	11.2
185.13300	9.3
187.11137	2.1
187.14850	4.7
189.11334	3.2
189.16420	2.7
191.08559	1.9
193.10225	2.5
195.11736	7.9
197.11748	1.3
197.13217	9.1
199.14896	5.8
201.16411	2.8
203.08546	1.9
207.11794	3.7
209.13235	7.7
211.14827	7.8
213.16415	4.5
215.17848	1.5
219.11884	1.6
221.13289	4.2
221.15279	1.7
223.14897	5.7
225.16470	5.3
227.12732	3.3
227.18056	2.9
231.08156	3.2
233.06055	5.6
234.06802	2.7
235.14879	2.9
237.16302	2.2
239.18044	3.2
243.15918	1.8
244.05238	3.2
245.05980	1.7
251.18048	3.4
253.19687	2.7
257.18982	2.3
259.07532	25.7
259.20746	5.1
260.08038	3.2
261.05499	5.4
262.06149	2.0
265.08661	4.1
265.19675	2.0
267.21005	1.7
272.04782	3.4
273.05420	3.4
273.18576	2.5
275.07211	1.8
275.20148	6.6
287.07199	4.4
289.04984	3.6
290.05792	3.6
291.06586	4.3
293.08154	6.2
294.08646	1.8
303.06589	2.2
304.07230	1.9
305.08093	3.2
311.23691	2.3
313.21896	1.8
333.24460	3.0
347.22198	1.9
349.23877	3.2
353.24796	2.4
365.28409	6.7
379.30103	2.3
383.29672	1.9
389.26971	3.3
421.31155	2.0
439.32376	2.5
445.29617	8.0
463.31018	3.4
503.12888	2.3
513.35870	13.3
515.38916	7.0
527.37231	3.1
531.12177	1.6
533.39801	11.4
551.41199	8.4
589.42810	1.9
597.46130	1.9
607.43634	48.5
608.43958	1.7
625.33521	3.7
625.44653	100.0
626.45001	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01878	8.7
55.05516	25.4
57.03432	7.0
57.07072	2.6
59.04990	1.5
65.03931	1.8
67.05510	44.5
69.03445	1.6
69.07071	23.4
69.64269	0.9
71.05000	3.6
79.05500	32.2
79.63143	0.9
81.03448	1.6
81.07065	50.0
82.33672	0.7
83.04991	4.0
83.08617	11.7
85.06542	3.5
91.05486	31.3
93.07050	37.2
95.04963	6.8
95.08614	35.4
97.06522	8.6
97.10168	5.8
98.20691	2.0
99.08109	2.3
103.05453	1.0
105.07037	34.7
106.07429	1.1
107.04997	4.5
107.08605	23.2
109.06529	4.4
109.10171	13.7
111.08112	3.5
115.05476	2.2
117.07028	18.3
119.08585	24.8
121.06531	3.7
121.10149	14.1
123.08109	3.3
123.11713	5.0
125.09653	4.1
128.06227	3.6
129.07025	13.3
130.07851	2.0
130.64836	1.0
131.08582	25.5
133.10143	21.5
133.11087	1.5
135.08081	3.3
135.11713	8.3
137.09665	2.3
137.13240	1.1
139.11284	1.0
141.07008	4.7
142.07777	2.9
143.08577	13.4
145.06461	1.8
145.10126	23.8
147.08095	1.8
147.11703	12.1
149.09584	4.6
149.13315	3.5
151.11249	1.6
153.07036	1.6
154.07845	1.0
155.08562	10.2
156.09402	2.2
157.10144	17.5
159.08102	1.8
159.11696	18.1
161.09709	1.5
161.13274	7.1
163.11224	3.1
163.14839	1.9
165.12817	1.7
167.08595	4.4
168.09311	1.5
169.10136	12.8
171.08003	1.4
171.10239	1.6
171.11702	15.0
173.09660	1.8
173.13266	10.8
175.11211	1.8
175.14841	3.7
177.12733	1.1
179.08569	1.9
179.14221	1.1
181.10100	6.0
182.11031	1.4
183.11702	12.8
184.12581	0.9
185.09665	1.6
185.13252	9.5
187.11234	2.0
187.13428	1.2
187.14845	5.9
189.11203	1.1
189.16461	1.5
191.14342	1.6
193.10204	3.5
195.11740	7.7
197.13295	10.0
199.14832	7.2
201.12798	1.5
201.16438	2.7
203.18080	1.2
207.11804	2.9
209.13249	7.1
211.14906	5.7
213.16452	4.3
215.17909	1.5
219.11743	0.9
221.13377	2.4
223.14896	2.6
225.16428	3.5
227.12727	1.8
227.17975	3.1
229.19572	1.0
229.77548	1.0
233.13353	2.4
235.14867	3.9
237.16464	3.0
239.18005	3.3
241.19643	2.4
245.19083	1.6
247.14780	1.1
247.20735	1.0
251.14371	1.1
251.18060	1.9
253.19640	1.4
255.17557	1.5
255.21213	1.1
257.19055	4.2
259.20624	4.8
263.20120	1.7
265.19730	1.8
271.20554	2.5
273.18591	3.6
275.20175	7.6
277.21649	1.0
289.21860	1.2
291.19678	1.4
295.20721	1.3
297.22324	1.5
299.23822	1.4
311.23935	1.2
315.23312	1.8
323.23825	1.3
325.21640	1.0
325.25342	1.8
331.22748	1.2
333.24258	3.5
339.23135	1.5
339.26749	1.3
341.24698	1.4
349.24075	4.0
351.26718	1.1
353.24869	1.3
363.26764	1.2
365.28500	1.6
403.29822	1.6
407.29541	1.5
421.31000	3.5
439.32196	2.0
495.34467	1.7
497.36383	1.4
499.34814	1.3
513.35895	11.3
515.38892	4.9
525.35889	1.4
527.37329	5.1
533.39795	7.3
537.36151	1.2
551.41266	6.7
553.39099	1.4
555.36798	1.8
581.42157	1.2
589.42462	3.0
595.43121	1.3
597.44830	2.4
607.43610	44.5
608.44171	3.0
625.44672	100.0
626.45178	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01880	8.5
55.05513	27.9
57.03446	5.6
57.07066	3.8
59.05004	2.2
60.43349	0.9
62.13529	0.9
65.03941	2.4
67.05508	42.3
69.03439	1.7
69.07071	20.1
70.69002	2.8
71.04992	3.0
71.08642	1.8
74.29986	1.0
79.05499	28.5
81.03432	1.1
81.07059	45.6
83.04993	4.4
83.08619	14.1
85.06556	2.4
86.09721	1.1
91.05487	27.8
93.07050	29.1
95.04975	6.0
95.08611	31.0
97.06534	10.1
97.10173	9.9
99.08098	1.5
105.07037	29.3
107.04967	3.3
107.08597	19.2
109.06535	3.9
109.10157	15.7
111.08093	3.5
115.05465	2.5
117.07008	16.2
117.07758	1.6
119.08585	23.7
121.06537	2.4
121.10172	11.6
123.08105	2.9
123.11703	6.4
125.09619	6.0
128.06247	4.0
129.07011	14.4
131.08574	21.1
133.06534	1.9
133.10133	19.4
135.08086	3.2
135.11711	5.4
137.09688	2.4
139.11211	1.8
141.06979	6.5
142.07784	4.6
143.08563	19.7
144.09370	1.3
145.10115	22.0
147.08011	1.4
147.11688	12.4
147.12798	1.3
147.14478	0.9
149.09633	3.8
149.13277	4.9
151.11238	2.0
153.06955	1.6
154.07784	1.4
155.08580	12.7
156.09351	2.4
157.10126	20.1
159.08078	2.0
159.11697	14.8
161.09680	1.9
161.13269	4.9
163.11221	3.6
163.14769	1.0
165.06996	1.4
167.08557	6.1
168.09364	1.9
169.10126	16.4
171.10269	1.9
171.11688	15.6
173.09613	1.3
173.13277	8.8
175.11247	1.5
175.14902	2.5
177.12852	2.4
179.08533	1.4
179.14363	1.3
181.10124	6.9
182.11040	1.1
183.11681	13.8
184.07339	1.1
185.09592	1.5
185.13272	12.2
187.13388	1.5
187.14775	4.9
189.11284	2.3
189.12805	2.1
189.16377	1.2
193.10222	3.1
195.11740	8.3
197.13257	10.1
199.11229	2.2
199.14821	6.6
201.16455	2.2
203.14354	1.3
205.10097	1.6
207.11655	4.7
209.13289	8.6
211.14792	7.7
213.16461	4.3
215.17993	1.5
217.15840	1.3
221.13332	4.5
223.14844	5.5
225.16457	4.7
227.12776	5.0
227.18030	3.5
229.19553	1.6
233.13258	1.5
235.14828	3.4
237.16379	4.5
239.18025	3.8
241.19568	3.7
243.15857	2.4
249.16479	2.0
251.18013	2.6
253.19630	2.8
255.21048	1.0
257.19049	2.4
259.20566	5.3
263.17975	1.4
265.19556	1.5
271.20636	1.4
273.18677	3.0
275.20248	6.3
279.21335	1.8
283.20764	1.4
285.22092	1.3
291.20013	1.4
297.22018	1.3
311.23740	1.8
313.21933	1.8
315.23248	1.7
321.22220	1.2
323.23611	1.7
333.24277	3.7
349.23776	5.3
363.26849	2.1
365.28558	4.5
367.26346	1.4
379.30200	1.9
383.29596	1.9
396.12607	1.3
403.30139	1.4
421.31119	3.1
439.32266	3.1
457.33261	1.2
463.32230	1.4
495.34955	1.9
497.37427	1.9
499.34122	1.3
511.37399	1.0
513.35883	17.4
515.39001	5.1
527.37146	1.5
533.39941	8.2
534.40472	1.3
546.56232	1.2
551.40778	4.8
555.36475	1.4
589.42627	2.2
607.43597	43.3
608.44495	1.2
625.44678	100.0
626.44812	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	625.1762
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
57.03440	1.8
61.02918	1.3
67.05502	0.3
69.03428	1.7
70.06593	0.3
70.19775	1.0
71.04995	12.3
73.02905	0.6
75.04437	0.4
81.03401	0.7
81.07059	0.5
83.04984	1.1
85.02907	17.7
87.04494	0.6
91.03942	0.5
91.05471	0.3
92.02603	0.4
93.03411	0.6
97.02895	1.7
97.06512	0.4
99.04446	0.4
105.07041	0.5
107.04951	0.4
109.02875	1.3
111.04462	0.7
119.08598	0.4
121.02873	0.6
123.04421	0.4
126.03105	0.3
127.03929	1.4
129.05498	4.7
137.06026	0.7
139.03906	0.9
145.04942	0.8
147.04431	0.4
147.06503	1.5
151.03937	1.9
153.00577	0.2
153.01836	4.7
163.03862	0.4
163.07442	0.4
164.07050	0.5
165.01846	0.6
177.05447	0.4
177.09102	0.3
201.05550	0.4
203.03366	0.3
217.04959	0.5
228.04163	1.1
229.04915	2.3
245.04492	0.5
246.05257	1.1
257.04492	2.3
260.03113	0.3
271.05972	0.4
273.03915	1.2
274.04694	3.6
285.03912	3.1
287.05460	0.5
302.04214	9.9
303.04749	0.4
311.51154	0.2
317.06564	100.0
318.06921	3.5
433.17722	0.3
479.11707	0.7
625.26941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01878	15.4
55.05512	30.8
55.70713	1.7
57.03440	12.5
57.07071	4.7
59.05001	2.3
60.27371	1.7
61.25248	2.2
65.03933	3.3
67.05508	60.3
69.03439	3.1
69.07070	26.7
69.90482	8.6
71.04981	4.3
72.68800	1.8
79.05492	40.1
81.03418	3.4
81.07059	54.7
82.61794	2.0
83.04989	5.8
83.08620	12.9
85.06539	3.6
91.05486	43.7
91.06013	3.2
93.07043	47.0
95.04973	5.7
95.08611	38.5
97.06532	24.4
97.10172	11.0
98.20776	2.0
99.08074	2.2
105.07032	35.4
107.04992	7.3
107.08597	27.7
109.06515	12.4
109.10168	19.3
111.08075	3.4
115.05463	4.4
117.07011	18.0
119.08586	33.9
121.06537	3.5
121.10146	21.4
123.08092	7.2
123.11739	7.2
125.09662	7.2
128.06248	3.6
129.06999	14.9
130.07826	1.9
131.08591	24.0
133.06558	2.4
133.10138	24.3
135.08025	8.1
135.11708	11.3
137.09639	2.9
141.07028	5.9
142.07831	4.9
143.08551	18.1
145.06544	3.0
145.10133	25.8
147.08101	5.8
147.11688	12.2
149.09616	10.0
149.13312	3.8
155.08560	12.0
156.09355	3.3
157.10135	18.6
159.08084	2.2
159.11681	17.8
161.09645	5.4
161.13321	8.0
163.11217	4.1
163.14877	3.0
167.08623	4.3
169.10158	13.2
169.11591	1.5
170.10866	2.1
171.11690	14.8
173.11955	2.6
173.13193	9.0
175.11250	3.7
175.14862	3.7
177.12794	2.1
179.08543	1.9
181.10167	7.0
182.10936	2.2
183.11734	13.0
185.13231	10.2
187.11334	2.3
187.14900	5.5
189.11293	4.0
189.12823	2.3
193.10229	3.5
195.11751	6.8
197.13266	8.8
199.11307	2.7
199.14850	8.4
209.13367	5.1
211.14879	6.3
213.16455	3.7
215.18001	2.9
217.15967	5.7
221.13358	3.6
223.14964	4.0
225.16541	3.8
227.12842	7.5
227.18085	4.2
235.14780	2.3
237.16470	3.8
239.18158	3.2
241.19589	4.6
249.16591	3.2
251.18011	2.5
255.17561	4.3
257.19165	3.6
259.20480	8.4
261.22241	2.2
269.22858	2.0
273.18497	20.5
273.20709	1.6
275.20102	17.3
291.19415	8.7
333.24478	7.4
335.25928	13.4
347.22345	7.7
349.23679	11.2
356.52557	1.8
363.26318	2.2
365.28491	4.2
379.30377	2.3
381.31812	2.5
385.30093	2.0
421.31793	2.5
439.32401	1.9
513.35919	10.4
515.39099	6.1
527.37994	2.8
533.40320	6.5
551.41156	7.8
553.38489	2.5
607.43488	44.3
608.43915	3.7
625.44745	100.0
626.44800	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	625.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85954	0.4
55.05508	0.7
57.03424	0.6
67.05494	1.8
69.07049	1.0
70.14217	2.7
70.96235	0.6
72.01356	0.5
79.05490	0.9
81.03394	0.6
81.07043	2.0
83.08603	0.8
85.02875	0.6
86.09695	0.6
91.05457	1.5
93.07015	1.1
95.04979	0.6
95.08606	0.8
107.08574	1.1
109.10161	0.7
121.10204	0.7
133.10072	0.9
150.19901	0.5
167.08455	0.6
174.56421	0.5
189.06981	1.2
189.11006	0.5
190.07768	1.6
191.08548	4.1
202.07773	9.1
203.08531	5.7
205.06421	0.7
213.06966	1.1
218.07281	1.2
219.08012	3.0
223.07542	1.0
229.06520	1.8
230.07343	0.8
231.08054	9.4
237.09177	2.7
238.56366	0.6
242.07272	3.5
245.05925	1.4
247.07410	13.1
257.05972	4.7
258.04056	1.1
258.06781	25.5
259.07538	100.0
260.07889	2.3
273.05600	0.7
275.07022	16.5
277.04300	3.1
285.05533	8.0
286.06171	1.7
287.07117	0.9
289.04922	1.2
293.03656	7.7
303.06512	61.1
304.07126	3.3
305.03604	6.8
321.03085	11.5
322.03854	0.8
323.01041	1.0
323.04712	19.3
472.18610	2.9
551.09808	0.5
553.11566	1.2
563.10413	1.1
579.10010	1.3
581.10657	1.6
607.07617	0.7
646.14221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01873	6.3
55.05510	15.7
57.03436	8.1
57.07071	5.0
58.63398	1.9
59.04987	3.4
59.41816	1.6
61.02925	5.3
67.05508	27.6
68.79583	1.8
69.03424	29.0
69.07070	56.2
70.06628	1.9
71.04996	10.1
71.08637	3.2
71.59400	3.1
73.02921	3.9
77.34165	1.7
79.05497	21.6
81.03419	21.8
81.07056	68.4
83.04984	5.7
83.08620	16.0
84.18356	1.6
85.02907	46.4
85.06539	6.1
87.00826	13.9
91.03925	2.8
91.05465	19.4
93.07044	49.3
95.04971	13.3
95.08609	46.6
97.02888	17.3
97.06556	9.1
97.10153	6.6
99.04459	9.3
99.08126	2.5
105.01855	10.9
105.07034	19.6
107.04969	6.8
107.08598	39.7
108.04477	7.9
108.08123	9.4
109.02878	15.4
109.06509	7.8
109.10159	46.1
111.08080	11.3
111.11726	9.0
117.07037	6.1
119.04959	3.8
119.08591	25.1
121.06533	4.4
121.10143	55.6
122.06020	6.9
123.04421	2.3
123.08070	5.3
123.11713	21.3
125.09678	8.8
125.13338	2.3
127.03922	24.2
127.11167	9.1
129.01839	2.2
129.12782	1.8
131.08571	4.5
132.04485	4.8
133.06487	2.6
133.10138	14.2
135.04480	2.3
135.08055	7.4
135.11700	24.9
136.07597	4.6
137.05988	22.5
137.09628	8.0
137.13248	7.9
139.11186	16.9
142.07753	2.6
143.08543	4.2
145.05009	7.2
145.10150	11.7
147.04352	4.0
147.08072	5.5
147.11705	8.4
149.05901	2.0
149.09628	15.3
149.13254	9.3
150.05473	2.3
150.09122	3.3
151.11209	8.0
152.07060	3.2
153.12750	16.8
155.10620	2.1
155.14330	2.3
157.10161	7.7
159.02884	6.4
159.11702	7.8
160.03975	12.9
161.09576	5.7
161.13283	4.4
163.07552	2.2
163.11209	6.0
163.14755	2.6
165.12788	3.2
167.10655	11.1
167.14429	2.1
171.11714	2.2
171.13829	4.9
173.06047	1.8
173.09575	2.9
173.11816	3.5
173.13255	3.8
174.05582	3.0
175.07590	2.5
175.11145	3.8
175.14771	2.7
177.05554	2.4
177.12746	3.6
177.16336	2.5
178.05025	3.2
179.10680	3.6
181.12285	3.8
185.13333	2.6
187.14890	2.9
189.16429	3.3
192.06464	2.1
193.12282	2.7
193.15845	2.7
199.08754	3.8
211.08713	4.5
211.12283	3.7
212.09413	4.9
213.06688	2.6
213.10275	5.5
213.23111	1.9
224.09435	3.0
225.10147	15.9
225.13782	2.3
226.08919	2.3
226.11005	12.3
227.11809	10.9
229.12236	4.9
231.04987	4.9
237.10201	5.6
238.11034	4.3
239.08183	16.4
239.11800	39.0
239.14143	3.2
240.12527	10.5
241.13338	2.2
249.14705	2.7
251.11815	7.6
252.09082	3.1
252.12694	3.3
253.09869	11.8
253.13268	19.9
254.10501	14.8
254.13737	2.6
255.11118	2.6
261.22128	7.2
263.11804	2.2
265.13419	4.0
266.10397	9.3
267.11359	18.7
268.11804	3.4
269.22623	4.6
271.10803	6.0
272.16464	2.3
273.18405	6.2
277.25189	3.7
279.11511	3.9
279.23157	11.6
281.12833	34.7
282.13403	3.5
284.11664	2.3
285.12381	12.0
286.13092	3.3
287.23746	14.7
291.19489	22.2
293.24731	21.9
295.10550	2.1
297.12411	3.3
299.13870	10.7
305.24747	55.6
307.10486	3.0
309.12308	21.4
310.12906	2.5
311.25781	14.5
312.14337	2.5
313.15616	2.1
323.13647	2.9
323.25809	100.0
327.13391	19.1
328.14072	2.4
341.15018	36.8
341.26929	12.1
342.15329	2.2
359.16068	4.5
359.27939	7.0
369.14337	11.0
371.15939	2.4
383.15839	2.2
399.15805	2.3
401.17358	2.8
411.15558	6.6
425.17090	3.7
427.24695	3.4
429.16708	17.2
430.17679	2.7
435.15628	3.8
443.18359	19.2
445.26077	2.7
449.28900	2.5
453.16599	19.2
454.17041	2.7
462.28519	84.1
467.17972	2.8
469.15585	2.2
470.16782	2.4
471.17609	69.5
472.17993	4.2
485.19318	5.7
501.18625	2.5
502.19302	5.5
503.20343	26.8
504.20987	3.4
522.22156	4.5
553.29840	3.0
556.20734	2.3
564.23523	2.8
574.21655	6.3
588.31671	4.4
592.22687	16.4
593.22296	2.5
606.24011	4.5
606.32556	4.8
624.25085	20.4
624.34174	12.5
625.25549	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	624.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99656	1.8
53.03940	5.0
55.01857	6.4
55.05517	13.6
57.03438	8.9
57.07068	5.0
59.04984	3.7
61.02918	7.4
61.70240	1.7
67.05503	27.5
67.34148	1.9
69.03422	27.5
69.07067	55.2
69.43606	7.0
69.44044	10.2
70.06590	39.0
71.04984	9.1
71.08612	1.8
73.02924	3.6
79.05502	15.1
81.03409	26.5
81.07054	46.3
83.04984	12.5
83.08607	12.0
85.02419	2.9
85.02908	38.7
85.06528	5.6
85.54955	1.9
86.09689	2.7
87.00836	10.2
87.04417	2.9
91.03936	3.4
91.05491	17.7
93.07043	39.2
94.06577	2.7
95.04959	12.7
95.08609	37.9
97.02890	14.8
97.06517	9.7
97.10161	7.6
98.20773	4.4
99.04430	7.7
99.08103	3.4
103.05466	2.0
105.01859	6.0
105.07021	15.1
107.04942	15.4
107.08585	30.8
108.04472	4.5
108.08104	9.6
109.02876	11.8
109.06510	7.4
109.09457	3.5
109.10153	42.9
111.08099	9.7
111.11717	7.8
112.07597	32.9
115.05377	1.9
117.03384	3.8
117.07013	4.7
119.04891	3.0
119.08585	16.2
120.05359	1.8
120.08099	2.5
121.06506	6.9
121.10139	28.8
122.06049	5.3
123.04388	2.7
123.08059	2.8
123.11727	14.2
125.09620	7.8
127.03912	20.2
127.11165	8.9
129.06967	2.7
130.24432	1.9
131.08530	8.2
133.06482	2.8
133.10120	14.8
135.04411	4.2
135.08028	5.7
135.11691	23.6
136.07542	2.6
137.05978	26.7
137.09605	7.5
137.13228	6.5
139.11186	11.9
140.07043	24.5
143.08562	4.9
145.02824	6.5
145.04936	5.2
145.10124	7.9
147.04396	4.1
147.07996	4.3
147.11673	5.3
148.07542	2.4
149.05949	2.8
149.09593	19.4
149.13223	6.4
150.09164	2.4
151.07613	1.8
151.11174	7.7
152.07120	2.4
153.12749	13.4
155.10623	2.9
155.14287	2.1
157.06493	2.3
157.10139	6.1
158.08092	2.7
159.02866	3.8
159.08109	2.4
159.11684	5.2
160.03908	8.9
161.09656	4.5
161.13269	2.4
163.03925	2.0
163.07625	3.5
163.11168	4.3
165.12819	2.6
167.06984	2.5
167.10684	6.7
167.14316	2.8
171.13846	2.8
173.11725	5.7
173.13185	2.2
175.07478	3.4
175.11122	3.2
175.14859	2.2
177.05463	9.4
177.12772	3.2
177.16451	2.3
178.04982	3.5
181.12184	3.9
184.07404	5.9
189.11224	3.0
210.11349	2.2
211.08708	5.7
211.12338	5.5
212.09367	5.1
213.03932	2.2
213.10298	3.7
225.10291	9.6
226.11017	8.7
227.11890	8.7
229.12209	3.1
237.10236	4.5
238.10995	3.4
239.08096	12.4
239.11810	26.3
240.12505	6.8
241.13237	2.3
251.11919	4.5
253.09732	6.3
253.13406	14.8
254.10455	8.7
255.11264	3.5
261.22159	3.6
266.10385	7.2
267.11316	15.0
271.10785	2.6
273.18466	3.3
279.11276	3.0
279.23166	4.0
281.12866	27.2
284.11380	5.2
285.12204	9.8
286.13104	3.0
287.23672	5.6
291.19525	21.6
293.24747	11.5
299.13843	13.7
305.24756	30.7
309.12280	14.3
311.25787	23.2
323.25806	93.8
324.26279	2.9
325.11816	2.4
327.13449	13.0
341.15015	25.8
341.26825	9.9
359.27942	5.2
369.14560	4.9
427.24860	5.3
428.15961	2.2
429.16507	11.1
430.17590	2.6
441.16992	2.3
443.18344	13.3
444.27182	3.1
453.16495	8.0
462.28479	100.0
463.28784	3.0
471.17593	49.0
472.17957	4.9
485.19458	2.6
502.19272	2.8
503.20233	22.7
553.29895	2.8
574.22076	2.6
588.31219	2.8
592.23047	19.3
606.32501	6.6
624.25323	15.8
624.34167	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	623.2862
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
69.43839	17.4
69.44254	4.9
71.08615	3.0
81.07041	2.6
95.79765	3.0
272.57724	2.5
335.63095	2.8
447.17984	3.4
448.22433	2.7
460.22513	4.8
461.19843	9.3
475.21484	5.3
476.21893	18.9
485.23450	11.7
489.23306	3.3
503.24518	13.7
515.24304	8.4
521.25641	8.3
531.23938	19.7
535.24933	2.8
545.25726	12.6
549.24774	15.4
563.26178	15.1
591.26068	22.8
623.28717	100.0
623.38641	3.7
624.28870	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	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.5
53.03917	3.1
55.01859	4.0
55.05507	13.9
57.03421	5.4
59.04995	1.2
59.67275	1.1
61.02648	1.5
61.02930	23.4
64.70901	1.5
65.03939	1.4
67.05176	2.4
67.05504	30.6
69.03429	7.2
69.07066	12.4
71.04978	3.2
73.02907	5.8
79.05067	1.7
79.05499	29.4
81.03409	4.7
81.07056	30.7
83.04972	3.9
83.08624	10.3
85.02907	19.2
85.06534	3.4
91.03950	9.5
91.05477	31.9
93.07040	24.7
95.04964	4.9
95.08601	18.3
97.02892	10.2
97.06523	4.6
97.10153	2.8
98.20803	4.0
99.04454	1.7
103.05453	3.1
105.07027	24.8
107.04951	5.8
107.08598	12.0
109.02882	2.2
109.06512	5.0
109.10165	6.9
109.55614	1.4
111.08068	2.8
115.05468	3.1
117.07024	20.4
119.08582	16.9
121.06489	5.2
121.10143	9.0
123.08041	3.7
125.09603	2.8
127.03910	5.3
128.06197	5.2
129.06998	26.1
131.04951	1.9
131.08565	28.8
133.06488	4.9
133.10115	9.6
135.08060	4.3
135.11714	3.2
137.05959	3.9
137.09572	2.9
141.06976	10.6
142.07756	2.5
142.65540	1.5
143.08557	19.2
145.06476	7.0
145.10124	13.2
147.08047	5.1
147.11670	4.3
149.09636	3.9
149.13220	1.6
153.06998	2.1
154.07809	1.7
155.08539	16.8
157.10126	13.1
159.08052	3.5
159.11664	9.3
161.09595	1.9
161.13254	2.2
163.07611	1.7
163.11174	2.7
165.06946	2.5
165.09029	1.6
165.12790	1.7
167.07292	1.5
167.08501	7.0
169.10117	11.3
171.08014	2.7
171.11734	7.9
173.09587	3.5
173.13191	3.8
175.11188	2.8
177.12759	2.1
179.08522	4.5
179.42950	1.1
181.10121	8.3
183.08078	2.3
183.11745	7.4
184.07320	1.5
185.09631	2.1
185.13261	5.5
187.11159	3.3
189.12663	1.4
193.10133	4.4
195.11655	10.2
197.13254	6.3
199.11142	2.3
199.14787	3.0
201.12717	1.7
203.14302	1.8
205.10149	1.4
207.11682	3.4
209.13258	4.2
211.11189	2.0
211.14726	3.2
213.12852	3.1
213.16335	1.3
214.17990	1.8
215.14308	3.7
221.13217	6.3
223.14806	5.0
225.16327	1.5
227.14407	1.6
233.13342	2.6
235.14771	3.3
239.14273	3.9
241.16023	1.9
245.15315	1.9
253.15858	4.5
255.17416	1.4
257.15387	3.1
259.17188	1.5
264.73965	1.3
271.16910	4.4
300.39365	1.4
303.18079	1.6
315.21063	2.6
323.23636	4.3
333.22083	12.7
341.24762	5.1
351.23181	33.7
358.45441	1.2
369.24258	27.9
384.71899	1.4
387.25275	14.2
415.28214	1.8
425.26837	9.2
433.29675	2.4
443.27927	100.0
444.28317	3.7
461.28983	68.4
462.29343	2.2
487.67249	1.5
514.20172	1.5
529.35895	1.4
605.32391	1.7
623.34204	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
54.05976	1.2
55.01854	3.6
55.05507	11.2
57.03428	3.2
67.05508	18.4
69.03420	1.5
69.07075	9.5
71.04988	2.4
71.58655	2.0
74.09748	1.2
79.05494	15.9
81.03426	13.2
81.07052	16.7
83.04986	2.6
83.08620	6.5
91.05486	17.0
93.07046	17.2
95.04963	4.7
95.08035	1.8
95.08604	16.2
97.06511	2.1
97.10155	4.8
105.07030	15.2
107.04949	3.3
107.08595	9.8
109.06515	3.0
109.10136	8.5
115.05447	2.0
117.07025	8.2
119.08574	11.4
121.06505	1.8
121.10136	4.4
123.08060	1.1
123.11716	2.8
125.09634	3.8
128.06274	1.4
129.07004	5.3
131.04938	1.4
131.08563	7.6
133.06459	1.6
133.10120	7.9
135.08029	3.0
135.11699	2.4
141.06970	3.5
143.08528	6.5
145.06429	1.7
145.10112	6.8
147.08058	2.0
147.11703	4.4
149.09618	1.8
155.08539	5.0
156.09212	1.6
157.10138	6.0
159.11693	5.5
161.05962	1.9
161.09680	1.6
161.13255	2.9
163.11314	1.5
167.08606	2.1
169.10086	5.8
171.11679	5.3
173.05974	2.7
173.13260	3.3
175.11259	1.4
179.08609	1.7
181.10080	3.6
183.11673	6.1
184.07318	1.9
185.13268	3.5
187.14749	2.5
189.11151	2.4
193.10188	1.7
195.11658	3.9
197.13283	3.2
197.92712	1.3
199.14844	1.8
209.13228	3.3
211.14867	2.1
213.16547	1.5
223.14787	1.7
225.16269	2.3
227.12773	2.7
237.16438	1.6
257.18936	2.7
259.20551	1.8
271.13351	2.2
273.18445	1.8
275.20007	4.7
291.19464	2.2
297.22131	1.5
313.21518	1.5
335.25717	2.2
339.23013	1.2
347.93234	1.2
349.23871	1.4
363.18399	1.4
379.30179	2.2
403.19476	2.6
405.21185	1.4
417.16852	2.0
419.22290	4.5
431.17972	2.7
431.23019	2.4
433.20142	2.7
443.18607	3.3
445.20081	7.7
446.20956	4.2
447.21759	5.9
449.23499	2.0
459.21640	3.6
462.20465	1.6
463.21396	2.1
475.21451	2.5
476.22052	4.3
477.22748	7.0
489.22879	2.2
513.36682	2.0
525.35565	5.5
531.38269	2.7
533.25372	15.2
548.54395	1.4
549.39008	2.7
563.26520	17.2
593.27271	4.7
605.42310	9.6
620.60657	1.3
623.28314	100.0
623.42517	49.9
624.29340	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86921	1.8
61.78281	2.1
63.86734	1.9
97.57416	1.9
115.18217	2.1
127.92192	1.9
233.12759	2.3
405.20682	5.2
407.22238	5.8
415.19180	3.5
421.23950	7.5
429.20670	8.9
430.21381	3.6
457.23819	2.6
458.24832	3.3
459.21793	6.1
472.22778	5.0
475.21420	4.6
476.22079	2.3
485.23434	11.3
486.21011	2.3
486.23782	2.0
499.21237	4.6
503.24475	6.2
513.22632	3.0
517.26208	4.1
535.27258	6.5
545.25525	58.5
545.33655	4.4
546.25592	2.9
573.24951	10.5
605.17645	4.6
605.27557	86.7
623.28632	100.0
624.29120	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.5
57.03436	1.9
61.85531	1.5
67.05507	14.5
69.07064	3.8
71.49625	3.3
79.05498	11.0
81.07055	12.4
83.08617	2.6
91.05466	11.9
93.07039	8.7
95.08605	8.1
97.10184	2.7
105.07041	4.1
107.08599	6.2
109.06463	2.0
109.10143	3.5
117.07027	5.6
117.69249	1.6
118.95434	1.8
119.08585	42.2
121.10144	7.0
125.09706	2.4
129.07030	3.0
131.08577	3.8
133.10147	3.6
135.08057	3.2
135.11655	1.9
141.07050	1.4
143.08604	2.5
145.10135	6.6
147.08063	1.7
147.11612	2.1
155.08583	1.7
157.10135	10.8
159.08072	14.4
159.11716	3.4
169.10156	4.9
173.09607	6.6
183.11629	2.3
189.11179	2.9
211.14996	1.6
227.12775	2.9
253.15979	3.2
271.16953	6.9
289.18161	3.7
335.25958	3.6
379.29831	1.7
419.22513	2.3
433.19965	4.2
444.19125	2.2
447.21478	2.5
448.22464	3.1
458.21082	3.5
459.21762	5.4
460.22433	3.8
476.21689	2.8
477.22473	2.0
521.21362	1.8
533.25031	4.8
535.25806	4.9
545.24915	1.9
563.25745	8.2
605.27448	8.1
605.41992	2.9
623.28186	100.0
623.42468	26.3
624.29352	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12477	4.2
69.39446	48.7
112.56161	5.4
131.87802	5.0
236.64012	5.0
431.02518	4.8
446.20508	7.7
447.21921	7.0
459.21524	6.2
475.21222	12.5
480.24753	5.1
487.21353	7.3
493.38696	5.4
533.25372	9.0
561.24945	58.1
593.27777	7.2
621.27118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05503	0.8
58.88754	0.6
60.45942	0.5
60.75361	0.6
67.05505	1.7
70.94117	1.9
71.04965	0.6
79.05491	1.2
81.07049	1.8
91.05486	1.2
93.07040	1.1
95.05005	1.1
95.08632	1.0
95.65286	0.7
104.70603	0.6
105.07033	1.0
109.10168	1.0
119.08590	0.7
122.73129	0.6
127.36125	0.6
145.10136	1.1
335.09598	0.6
373.15503	0.7
389.17734	2.5
390.18161	0.7
401.17633	0.9
402.18710	0.9
403.14749	0.8
403.19550	4.0
404.19998	1.7
405.20847	2.0
416.15808	1.1
417.16275	4.2
417.21368	2.1
418.22089	0.8
419.22372	6.4
420.23209	1.0
430.18048	0.9
431.18210	6.6
432.19485	2.5
433.20276	1.5
444.19406	1.0
445.20255	5.4
446.20963	6.4
447.21808	10.2
459.21774	2.6
461.18991	1.0
463.20981	0.9
473.19229	1.3
474.20508	5.1
475.21167	7.2
487.21222	3.9
488.22388	0.8
491.20773	1.1
501.22931	2.0
505.26285	1.0
519.20038	0.9
533.25507	16.1
534.25818	1.1
561.24951	25.3
562.25519	2.0
589.24420	1.4
593.27356	4.2
621.27087	100.0
622.27319	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	623.1603
Annotation	6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
51.44944	0.2
53.03945	2.1
55.01878	0.4
55.05507	0.7
57.03429	0.9
61.02917	0.7
67.05499	0.8
67.87562	0.3
69.03435	6.0
69.07074	0.5
71.04997	1.4
71.59578	0.3
73.02914	0.9
79.05502	0.3
79.34803	0.3
81.03422	6.6
81.07064	0.8
82.31744	0.2
83.04989	0.5
84.04544	0.3
85.02912	13.4
85.06543	0.5
87.04424	0.5
88.03969	0.6
91.03910	0.3
91.05477	0.4
92.02610	0.5
93.03426	0.6
93.07051	0.6
95.04947	0.3
95.08618	0.6
97.02894	9.4
97.06535	0.5
99.04461	9.3
103.03949	10.8
105.07013	0.7
107.05029	0.3
107.08607	0.4
109.02884	7.2
109.10178	0.6
115.03938	0.3
115.65519	0.3
115.67619	0.3
119.08568	0.5
121.02864	0.9
121.06467	0.3
121.10137	0.7
123.04423	0.4
125.09574	0.6
127.03928	19.9
128.04234	0.3
133.10117	0.3
135.11671	0.4
136.07570	0.4
137.05978	0.8
139.03922	0.7
145.04973	8.3
145.06145	0.5
145.10118	0.3
147.04370	0.7
151.03947	0.8
153.01845	4.6
155.11838	0.3
163.03909	0.6
163.06056	1.8
163.07198	0.3
165.01830	0.5
168.48805	0.3
172.07401	0.3
177.05486	0.4
187.05995	1.6
201.05429	0.4
214.18050	2.0
218.05685	0.4
228.04221	1.0
229.04938	2.2
231.03000	0.3
245.04594	0.7
246.05244	1.1
257.04443	1.8
271.08176	1.4
273.03934	1.8
274.04764	3.8
285.03989	3.5
291.06271	0.4
302.04227	9.9
303.04797	0.7
305.04474	0.5
317.06580	100.0
318.07004	1.5
321.24182	0.4
359.07718	2.3
359.23181	0.5
383.07651	0.4
425.08578	0.4
461.10822	0.3
641.40582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05512	1.6
57.03441	0.8
60.30563	0.7
60.93649	0.7
65.03982	0.8
67.05498	2.2
69.07066	1.4
69.33344	0.8
69.33750	6.9
79.05505	2.0
81.03387	1.1
81.07048	2.4
82.17442	0.7
83.08582	0.8
85.38295	0.7
91.05489	1.6
93.07037	2.4
95.04970	0.9
95.08597	1.8
97.02900	1.1
99.04465	0.8
103.13714	0.8
104.37540	0.8
105.07032	2.9
105.77464	0.7
107.08588	1.5
109.06559	0.8
109.10144	1.8
118.10283	0.7
119.08630	1.6
121.10179	1.7
127.03909	1.0
130.05043	1.3
133.10092	1.2
143.08466	0.8
145.10202	1.0
149.02357	5.9
159.11649	0.9
177.03342	3.8
193.05032	2.8
258.06717	1.8
264.47485	0.7
269.51257	0.7
288.04095	1.0
303.06592	1.2
306.07571	1.3
326.68988	0.7
340.85309	0.7
348.64841	0.8
414.82877	0.8
443.10962	1.4
445.12015	1.9
461.11804	1.9
463.09641	1.1
472.10739	1.6
473.11884	2.5
474.12408	0.8
483.10938	1.4
489.11343	2.5
490.12128	2.0
500.10400	2.4
501.11172	8.6
515.12756	1.4
517.10626	4.4
518.11456	3.0
528.10101	2.2
529.10724	16.5
533.13983	1.3
543.12231	2.3
545.10156	23.7
546.11176	3.6
561.13367	100.0
562.13672	2.3
589.13068	1.3
621.15961	2.9
621.40723	2.8
623.36230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05529	1.9
59.53916	1.4
67.05493	3.4
68.00941	1.3
69.91034	8.8
79.05484	2.6
81.07040	3.3
91.05495	2.7
93.07026	2.1
95.05000	1.9
107.65955	1.5
109.06568	1.7
113.05954	2.4
135.08070	2.1
256.38562	1.6
291.19537	2.7
313.27542	3.4
375.16013	3.2
389.17700	2.7
390.18512	2.0
403.19211	3.8
405.20752	2.9
416.16248	1.8
417.17093	5.5
417.21768	2.9
418.17679	2.8
419.22708	7.9
431.18289	9.7
432.19504	3.7
433.20068	2.7
444.19699	2.7
445.20355	6.3
446.21173	6.3
447.21796	14.2
459.22235	3.2
461.20029	2.5
474.20572	7.8
475.21268	11.5
487.21384	4.0
488.22528	2.4
491.23715	1.5
501.23044	2.3
533.25470	19.2
561.24921	36.4
562.25232	1.8
593.27539	3.7
612.18097	1.8
621.27100	100.0
622.27606	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	614.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79668	0.4
53.03941	1.5
53.41153	0.4
55.01878	1.9
55.05515	1.6
57.03433	3.8
57.07075	1.9
58.44439	0.4
59.04988	0.4
61.02927	9.9
67.05511	0.8
67.52316	0.4
69.03431	15.9
69.07069	4.7
69.92309	2.1
71.04988	2.2
71.08630	1.4
73.02921	4.0
79.05488	0.5
81.03417	6.7
81.07066	0.7
83.01338	0.6
83.08620	4.6
85.02907	100.0
85.10168	0.7
87.04465	2.2
91.03957	6.0
93.07056	0.5
94.36547	0.4
95.08588	0.6
97.02893	28.9
97.10170	4.6
99.04452	3.8
100.12656	0.4
103.03956	0.8
105.07074	0.4
107.08604	0.5
109.02885	7.7
109.10147	0.6
111.11715	2.7
115.03954	1.0
118.87986	0.4
125.13290	0.9
127.03920	31.6
137.05936	0.4
145.04961	53.8
162.07648	0.7
163.06020	12.9
180.08673	1.1
204.08615	1.2
227.23695	17.6
227.25957	0.9
231.49629	0.4
268.26328	2.6
273.24185	1.0
314.26880	0.6
371.28110	0.5
401.17877	0.4
582.24139	2.2
596.36389	0.5
614.37280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.7
57.07079	28.9
59.05001	1.4
67.05527	2.8
69.03432	1.2
69.07050	2.7
69.33633	6.7
69.34051	4.1
71.02134	1.1
71.08634	30.7
73.02922	1.3
73.06573	8.1
81.07056	3.6
83.08611	5.3
85.10187	25.8
85.32748	1.0
87.04471	8.5
89.06037	100.0
91.05482	3.4
91.07574	1.2
93.07056	2.9
95.04958	2.0
95.08582	4.0
97.10168	1.6
99.11737	2.8
105.07025	3.8
107.07067	4.7
107.08617	3.3
109.06453	1.6
112.97681	1.1
117.07020	2.1
117.09129	7.2
119.08599	1.8
121.10143	3.7
123.08106	1.6
130.08669	5.6
131.07106	2.6
131.08534	2.3
133.08607	47.5
133.10149	2.7
141.16391	4.4
143.08580	2.5
145.10112	2.7
149.09554	1.4
151.07512	2.0
157.10132	2.1
158.51599	1.2
161.11728	2.6
161.13062	1.2
165.09044	1.6
167.10713	3.3
168.11050	1.9
173.13188	1.5
175.09677	2.2
177.11234	22.8
181.12354	1.4
185.18967	6.2
189.12825	1.3
221.13805	3.4
223.15182	1.2
226.21605	2.1
229.21611	10.9
239.14934	2.5
265.16446	1.2
273.24228	8.4
283.17575	2.9
309.19086	1.5
377.40356	1.6
415.25638	1.3
459.27902	4.3
599.43842	10.8
616.46075	4.1
617.41547	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
65.03948	0.3
67.05492	1.4
71.58881	0.5
79.05505	0.7
81.03447	0.3
81.07051	0.8
82.69939	0.3
83.08620	0.4
85.02883	0.4
91.05466	1.3
93.07037	1.1
95.08598	0.6
105.07057	0.6
107.08597	0.5
109.06507	0.3
119.08647	0.4
128.00993	0.3
145.10110	0.4
148.53282	0.4
149.02374	2.7
176.50981	0.3
193.04951	1.5
198.86870	0.4
202.07758	0.4
207.08080	0.6
208.13354	0.3
218.07355	0.7
219.08110	0.4
229.06473	15.5
230.07150	0.6
231.08147	0.5
235.64265	0.3
242.07224	0.4
245.06116	0.9
246.06784	0.7
247.07446	1.7
257.05981	13.8
258.06760	2.8
259.07602	1.4
261.09219	0.6
269.05734	0.4
271.07651	0.7
273.05359	0.7
274.06219	1.7
275.07019	5.5
285.05386	0.5
286.06342	0.7
287.06961	3.3
288.04199	0.5
289.08597	2.0
297.05597	1.1
299.06937	0.7
301.05130	0.4
301.08694	0.6
302.05789	0.8
303.06500	3.6
304.07413	0.7
305.08249	1.7
315.06372	1.8
317.08133	1.9
319.09647	2.8
325.05014	1.0
345.07782	0.7
453.11447	0.5
458.13031	0.6
459.13956	0.6
465.14679	0.4
469.12149	0.5
475.13150	0.5
476.14035	0.5
485.11685	1.0
486.12415	0.9
487.13434	1.6
497.11954	0.8
498.12570	1.0
503.12732	2.9
504.14005	0.5
513.11072	1.1
514.11975	1.4
515.12823	2.2
516.13245	0.7
519.16241	0.4
521.13940	0.5
525.11145	0.7
529.14825	0.5
531.12201	2.6
532.13019	4.0
533.13977	0.5
541.10260	0.6
542.11505	1.5
543.12567	2.6
544.13019	0.4
547.15546	2.8
550.14191	0.9
557.14130	1.3
559.11841	4.7
560.12561	7.0
561.13025	2.3
565.16376	1.0
569.10059	0.4
571.11768	1.5
575.14880	6.1
577.13104	0.7
587.01654	0.7
587.11243	18.7
588.12073	8.1
593.16046	2.7
603.14380	25.6
604.14648	1.4
621.15448	100.0
622.15778	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05507	8.3
67.05514	22.8
69.07064	9.8
79.05492	12.3
81.07052	22.0
81.33051	2.8
83.08633	5.8
91.05495	7.8
92.57002	2.7
93.07055	13.8
95.08610	15.1
97.10174	4.3
98.20664	4.8
102.84452	2.8
104.11200	2.6
105.07048	12.9
105.18999	3.0
105.85949	3.0
107.08614	11.9
109.10161	8.9
109.52441	2.7
117.07012	4.1
119.08587	12.3
121.10147	8.9
123.11787	4.0
131.08591	9.9
133.10136	7.9
135.11728	5.1
145.10165	7.7
147.72414	3.3
157.10063	2.7
159.11751	4.8
161.13239	6.5
171.11688	5.2
173.13226	4.8
183.11806	3.4
184.18727	3.0
187.14897	3.8
238.00752	3.3
259.20602	5.4
259.59497	2.8
261.22311	4.8
301.28430	3.5
333.24576	4.6
335.25912	7.9
337.27487	4.7
595.46881	10.7
613.48291	100.0
614.48682	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12973	0.8
55.05509	12.3
57.03443	3.9
57.07086	1.4
58.25169	0.9
58.86145	0.8
63.33170	0.9
65.03957	1.5
67.05503	30.8
69.07072	10.8
69.44755	1.7
69.45139	7.2
71.05003	1.4
79.05489	21.6
81.06583	1.5
81.07059	27.7
81.07517	1.8
83.04972	1.1
83.08627	4.6
85.06557	1.5
91.05476	20.0
91.05998	1.2
93.07051	22.5
95.04971	3.1
95.08608	25.6
95.37264	0.9
97.06522	1.6
97.10191	3.5
99.08085	1.2
105.07030	21.2
107.08593	15.5
109.06540	1.0
109.10146	10.2
111.08103	0.9
115.05463	0.9
117.07024	9.9
119.08587	19.2
121.10136	11.2
123.11719	2.9
128.06233	1.4
129.07022	6.8
130.07773	1.0
131.08589	15.7
133.10138	13.9
135.08087	0.9
135.11679	8.5
137.09615	1.2
141.07014	2.6
142.07825	1.0
143.08545	9.0
145.10127	16.3
147.11694	11.2
149.13258	5.6
155.08604	4.0
156.09280	0.8
157.10129	8.9
159.11707	13.7
161.13269	8.8
163.14844	1.6
169.10098	4.5
171.11691	8.4
173.09724	0.8
173.13275	8.9
175.14888	3.6
181.10152	0.9
183.11644	5.7
185.13261	6.4
187.14850	3.7
189.16414	2.2
195.11662	2.0
197.13278	4.1
199.14818	4.6
201.16443	3.0
209.13342	2.1
211.14920	2.3
213.16406	2.9
215.17868	1.0
223.14827	1.7
225.16466	2.4
227.18089	2.1
229.19531	1.2
231.21179	2.1
239.17957	1.9
241.19667	5.7
243.21095	1.3
257.18961	2.5
259.20563	13.1
261.22144	2.7
271.20621	0.9
275.20135	0.9
291.21225	0.9
308.23923	0.9
313.21927	0.9
333.24164	9.3
335.25803	12.5
353.28378	1.3
449.34384	1.3
478.66791	0.9
499.54575	0.9
501.41171	1.2
515.37787	0.9
519.42163	5.2
523.38416	0.9
537.42938	3.1
541.39105	1.2
593.45502	8.3
611.46680	100.0
612.47644	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.73187	0.6
55.01867	0.9
55.05516	11.0
57.03427	2.7
57.07072	2.6
62.13891	0.5
66.25345	0.6
67.05505	19.9
69.03416	0.8
69.07066	9.8
70.99020	0.6
71.04985	1.3
71.08624	1.8
79.05491	12.1
81.03416	1.0
81.07061	17.5
83.04998	1.0
83.08632	5.5
85.06546	1.2
85.10197	1.2
88.02521	0.6
91.05479	11.1
93.07043	13.5
95.04969	2.1
95.08605	16.3
97.06524	2.1
97.10156	4.0
99.08083	0.8
100.72784	0.6
103.05481	0.7
105.07027	11.3
107.04970	0.7
107.08606	9.0
109.06467	0.9
109.10162	8.8
111.08118	0.8
117.07020	7.5
119.08575	10.3
121.10133	6.0
123.08054	0.7
123.11729	1.8
125.09623	2.0
128.06238	1.7
129.07002	8.6
131.08580	13.7
133.10118	8.0
133.11076	0.8
135.11707	2.7
137.13277	0.9
141.07011	2.3
142.07721	1.4
143.08556	11.4
145.10121	12.4
147.11679	4.7
149.13266	1.9
155.08553	7.3
156.09348	1.2
157.10129	12.1
159.11690	9.5
161.13255	2.9
163.14893	1.4
167.08618	2.2
169.10124	8.1
171.11690	8.7
173.13245	5.4
175.14897	1.3
181.10110	3.8
182.10843	0.7
183.11716	7.4
185.13254	6.7
187.14850	4.0
189.16405	0.8
193.10231	1.2
195.11655	3.1
197.13275	5.8
199.13231	1.0
199.14857	5.7
201.16409	2.2
207.11751	1.3
209.13194	3.4
210.13992	0.9
211.14809	4.5
213.16457	3.4
215.18007	2.2
221.13403	1.0
223.14816	2.9
225.16397	3.2
227.18030	3.1
229.19510	2.1
229.73997	0.7
235.15009	0.8
237.16454	1.5
239.18053	2.2
241.19562	2.8
243.21133	0.8
249.16583	0.8
251.17938	1.6
253.19604	1.7
257.22525	1.0
263.18140	0.7
267.21115	0.7
269.22821	0.9
275.20087	1.1
283.20844	0.6
297.22104	1.1
325.21603	0.9
325.25351	0.9
339.26715	1.0
353.28552	1.3
367.30273	1.3
381.31750	1.0
409.30902	0.9
435.32840	1.0
437.34320	0.9
449.34390	0.8
501.41031	1.5
519.42004	10.3
537.43060	5.6
541.38745	1.4
575.44714	1.7
593.45557	16.0
611.46753	100.0
612.46979	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01864	6.2
55.05504	17.9
57.03433	6.4
57.07061	4.0
61.02923	9.5
67.05513	27.8
69.03428	25.0
69.07066	48.6
70.06603	20.7
70.12847	15.0
71.04983	12.1
71.08635	4.0
73.02908	9.4
73.06532	3.7
79.05479	14.3
81.03413	16.2
81.07060	100.0
83.04988	9.1
83.08607	23.9
85.02902	36.9
85.06535	15.2
86.06097	4.5
86.09698	7.9
87.00833	8.6
91.03919	5.2
91.05489	13.1
93.07037	38.6
95.04951	4.5
95.08051	5.9
95.08614	81.9
97.02896	17.2
97.06529	15.2
97.10167	7.8
99.04446	8.2
99.08086	5.9
105.01880	7.7
105.07049	13.7
107.08607	36.9
108.21914	3.1
109.02884	16.3
109.06470	5.4
109.10148	32.0
111.08076	16.3
111.11729	12.5
112.07609	10.1
119.04923	7.7
119.08575	13.2
120.51014	3.5
121.06551	4.9
121.10128	23.0
123.10961	4.3
123.11709	26.6
125.13253	6.9
127.03923	25.8
133.10127	4.8
135.11694	22.6
137.02328	4.0
137.05945	15.9
137.13257	36.0
139.11208	7.7
140.07040	7.9
145.04961	5.5
147.04437	19.2
147.11649	3.6
149.13237	27.9
151.14825	4.5
153.12715	18.0
155.14275	13.7
161.13200	5.5
163.03868	4.0
163.14824	6.5
165.63148	3.6
167.07007	3.9
167.14302	7.4
171.13789	6.7
173.15411	5.7
173.42453	3.3
177.00595	3.9
177.05505	4.7
177.16347	3.8
179.18051	3.6
181.04976	5.4
184.07344	4.9
191.17949	4.2
198.11285	9.9
275.07129	6.3
279.26697	9.1
291.26843	22.2
296.90720	4.3
297.27859	7.6
303.05057	23.3
309.27887	44.9
315.28888	4.7
327.28961	10.5
345.29929	12.4
375.13010	4.5
419.11276	11.1
497.18805	4.2
514.19220	4.2
593.30780	4.7
611.31049	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	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
54.12252	3.3
55.05515	17.1
57.03436	6.8
57.07093	3.5
66.82267	3.3
67.05503	50.5
69.07073	22.2
69.44017	33.0
79.05503	24.2
81.07060	44.4
83.08603	10.4
91.05470	32.8
93.07047	42.8
95.04999	4.5
95.08607	36.1
97.10198	4.6
105.07030	27.1
107.08568	20.6
109.10139	9.4
117.06986	13.0
119.08586	22.9
121.10194	17.8
121.52850	3.4
123.11724	3.5
129.06999	7.1
129.90643	3.2
131.08597	23.8
133.10146	17.3
135.11665	14.8
135.12582	3.3
143.08568	11.7
145.10130	22.2
147.11690	21.7
149.13222	8.5
155.08586	5.6
157.10144	14.7
159.11716	20.5
161.13235	12.6
163.11212	4.7
163.67265	3.5
169.10098	7.6
171.11684	11.5
173.13260	8.3
174.34296	4.2
175.14804	3.4
183.11710	5.6
185.13229	8.4
189.16399	4.2
199.14851	7.9
213.16273	3.9
223.14508	3.4
241.19626	6.8
259.20648	14.2
275.20102	4.9
282.54669	3.4
329.12314	3.8
333.24307	6.9
335.25784	15.0
593.45483	7.6
611.46735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01881	1.0
55.05512	9.7
57.03436	2.6
57.07072	2.1
59.04997	0.5
63.02424	0.5
67.05506	21.9
68.05858	0.6
69.03403	0.5
69.07072	8.6
71.04998	0.6
71.08639	1.0
79.05495	15.8
80.05821	1.0
81.07058	21.9
82.07412	0.8
83.05000	0.7
83.08611	5.0
89.06039	1.4
91.05481	12.2
93.07043	18.7
95.04978	2.2
95.08606	18.9
96.08961	0.5
97.06539	1.8
97.10177	2.5
99.08131	0.7
103.05474	0.5
104.37046	0.5
105.07035	16.8
106.07366	0.8
107.08590	10.3
108.08930	0.9
109.10155	8.4
111.08083	0.7
111.11658	0.6
115.05487	0.8
117.07025	7.2
118.80180	0.5
119.08585	14.2
121.06514	0.7
121.10151	8.6
123.11677	2.6
125.09640	0.9
128.06290	0.9
129.07010	3.7
131.08575	11.0
131.09512	0.8
132.08873	0.7
133.08650	0.8
133.10130	10.1
135.11687	6.4
137.09729	0.7
137.13292	1.3
141.07024	1.7
142.07753	1.0
143.08571	6.7
144.09229	0.6
145.10117	11.5
146.10478	0.8
147.11687	9.5
149.09665	1.2
149.13281	4.0
155.08600	2.9
156.09334	1.0
157.10123	7.4
159.11690	9.2
159.12857	0.7
160.12219	0.5
161.13264	7.6
162.13609	0.7
163.11227	0.7
163.14876	1.8
167.08563	1.0
169.10097	3.6
170.10594	0.7
171.11676	6.8
172.12096	0.6
173.13266	6.4
175.14879	3.9
177.16438	1.4
181.10155	1.7
182.10919	0.5
183.11659	3.6
184.12177	0.6
185.13287	5.2
186.13673	0.6
187.14833	3.6
189.16360	1.1
195.11736	2.1
197.13268	3.6
198.13814	0.7
199.14809	3.8
201.16397	2.1
207.11627	0.6
209.13301	1.8
211.14795	2.4
213.16518	2.5
215.18015	1.3
217.19356	0.7
223.14825	0.7
225.16447	1.4
227.18132	1.0
229.19553	0.8
231.21043	0.8
237.16333	0.9
239.17989	1.6
241.19572	5.3
243.21111	1.5
251.18050	0.7
253.19627	0.6
257.19052	2.3
259.20578	10.8
261.22180	1.8
267.21167	0.7
271.20313	0.5
273.22174	0.8
277.21799	0.7
285.22119	0.7
299.23624	0.9
301.25446	0.7
311.23737	0.9
315.23251	1.5
325.25082	0.7
333.24240	7.7
335.25839	11.3
337.27621	1.2
353.28354	1.1
365.28720	0.6
385.26617	0.6
395.28763	0.8
435.32513	0.6
466.39810	0.6
501.41028	0.7
503.37259	1.4
519.41925	5.4
529.38922	0.8
530.10803	0.5
537.42816	3.1
541.38696	1.7
543.39624	0.6
562.78748	0.6
593.45465	7.3
611.46576	100.0
612.47394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03931	0.3
57.03432	1.8
57.08784	0.2
60.01828	0.2
61.02905	0.4
68.99809	0.4
69.03419	0.8
69.73565	0.3
70.90324	0.5
70.90687	0.4
71.04588	0.5
71.04990	9.9
73.02924	0.4
75.04478	0.4
81.03394	0.5
83.04971	0.3
85.02906	13.8
97.02887	1.1
98.74812	0.3
99.04449	0.3
109.02877	0.4
111.00797	0.7
113.90709	0.2
121.02871	0.4
127.03927	0.7
129.05478	4.4
137.02319	1.8
145.04933	0.6
147.06520	1.2
149.02391	0.3
153.01799	1.9
163.03946	0.4
165.01819	1.4
183.02829	0.8
201.05447	0.9
229.04944	2.8
247.05983	0.6
257.04486	1.8
274.04782	0.6
285.03979	0.8
303.04990	100.0
304.05383	1.7
309.04492	0.3
327.34210	0.3
333.23724	0.2
337.14139	0.3
465.10217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
55.05508	1.0
56.50813	0.4
57.03425	1.6
61.02913	1.0
64.05666	0.5
67.05505	2.8
67.22618	0.4
69.03419	1.0
69.07082	0.9
71.04994	10.2
71.08622	0.5
71.58730	0.5
73.02901	0.7
77.82717	0.4
79.05493	1.5
79.21538	0.4
81.03408	1.6
81.07046	2.1
83.04973	1.1
83.08629	0.4
85.02905	14.7
86.49340	0.4
87.04491	0.6
89.96661	0.4
90.31799	0.4
91.03957	0.6
91.05470	1.4
93.07040	2.0
95.04965	1.1
95.08599	1.5
97.02887	1.7
97.06559	0.5
99.04436	0.6
99.08080	0.5
105.07013	1.2
107.04951	1.2
107.08602	1.1
109.02886	0.8
109.10137	1.0
111.00829	0.6
111.04469	0.5
117.07018	0.5
119.08555	0.9
121.02873	0.6
121.10146	1.1
121.31396	0.5
127.03917	1.1
129.05507	3.7
131.08531	0.6
133.10114	0.8
135.04413	0.4
137.02341	1.8
145.04869	0.7
147.06549	1.0
147.11737	0.6
149.13239	0.5
149.88577	0.4
153.01814	2.9
163.03943	0.5
165.01837	1.8
179.14322	1.2
183.03006	0.8
201.05428	0.7
213.05589	0.5
229.05014	2.9
247.05952	0.5
257.04443	1.6
277.12994	0.4
277.21625	0.7
285.03986	1.1
295.97852	0.4
303.05005	100.0
304.05359	2.5
345.05688	0.4
351.25275	4.8
465.10211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68595	0.2
58.99583	0.3
60.45885	0.2
65.03931	0.4
68.53244	0.3
69.03415	0.8
71.58713	0.6
76.02239	0.6
81.03431	0.4
84.08117	0.3
85.02897	1.3
89.89228	0.3
91.05441	1.8
91.84663	0.3
95.04981	0.5
97.02898	2.4
97.81310	0.3
99.04456	0.5
99.73703	0.3
100.02220	0.4
105.00108	0.3
109.02866	1.1
112.87605	0.3
119.04943	8.2
121.02856	0.3
122.02737	6.1
123.04443	6.1
127.03909	1.1
145.75986	0.3
146.02737	0.5
146.89713	0.3
147.04407	100.0
148.04765	0.9
148.90666	0.3
152.02980	0.2
158.02731	0.3
165.05473	4.3
166.79503	0.3
173.05989	0.5
193.91988	0.3
226.05338	0.3
268.06610	0.4
273.07623	0.4
284.07928	1.8
286.07471	2.3
309.09686	31.0
381.02658	0.3
430.11740	2.4
471.14865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.05511	0.2
57.03442	1.7
61.02927	1.2
65.03929	0.2
68.99793	0.4
69.03421	0.8
69.45042	0.5
69.45456	1.4
71.04997	9.7
73.02910	0.6
75.04472	0.6
81.03412	0.3
83.04980	0.5
84.97048	0.2
85.02909	14.8
87.04459	0.2
91.03951	0.9
97.02912	1.2
98.20799	0.4
99.04440	0.3
109.02871	0.6
111.00803	0.8
111.04428	0.4
121.02869	0.7
123.04424	0.3
127.03905	0.7
129.05490	3.6
137.02356	2.5
145.04973	0.6
147.06558	1.2
149.02356	0.3
153.01825	2.8
161.05954	0.5
163.03915	0.5
165.01840	1.8
166.02631	0.2
173.05966	0.2
183.02936	0.9
183.04361	0.2
201.05455	1.4
218.94882	0.2
228.04086	0.2
229.04984	3.6
239.03488	0.3
247.06026	0.7
257.04486	2.3
274.04724	0.8
275.05515	0.2
285.03851	1.0
287.05496	0.5
290.52322	0.2
303.05002	100.0
304.05283	2.7
315.05063	0.3
345.06012	0.6
353.51736	0.2
369.06271	0.4
447.09088	0.3
449.10757	0.5
465.10373	1.0
546.11237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36893	1.7
51.02356	1.8
53.03939	4.5
53.70859	2.1
55.01872	3.4
55.05510	17.9
57.03436	9.0
57.07060	1.8
57.47132	1.7
65.03930	3.3
67.05507	56.1
68.69131	1.6
69.03427	2.2
69.07066	16.5
69.73052	1.6
71.19099	4.3
77.92569	1.6
79.05495	50.8
81.07061	57.7
83.04987	2.6
83.08624	7.7
85.06551	3.5
91.05479	46.7
91.21954	1.9
93.07051	52.1
95.04980	6.4
95.08614	41.9
97.06541	4.6
97.10182	2.3
100.74310	1.6
105.07033	39.9
107.04948	4.3
107.08602	28.2
109.06516	4.9
109.10162	15.5
111.08138	1.8
117.07011	18.4
119.08590	30.6
121.10159	19.7
123.08096	3.7
123.11716	2.4
128.06233	2.7
129.00888	2.0
129.07033	7.6
130.07791	2.6
131.08571	26.9
132.08046	1.7
133.10133	24.2
135.11700	12.2
137.09648	2.7
141.07008	5.4
142.07706	2.6
143.08633	9.1
145.10112	26.7
147.11713	14.3
149.09654	5.2
149.13286	4.6
155.08591	6.3
157.10107	10.4
159.11682	15.5
161.13280	5.8
163.11215	3.3
163.14792	1.8
167.08585	3.9
169.10182	5.6
171.11806	9.3
173.13278	8.9
177.12651	2.3
179.14342	3.2
181.10184	4.3
183.11761	7.7
185.13309	8.3
195.11789	2.4
197.13319	7.2
199.14839	3.2
201.16406	4.9
209.13272	2.9
211.14827	2.0
219.17450	43.8
221.13123	2.4
229.19617	1.8
239.18047	4.2
257.18979	8.9
259.20682	2.0
261.22128	1.8
275.20074	30.2
293.21136	3.6
331.22644	3.0
335.25864	6.7
349.24423	2.0
411.96368	2.1
428.94864	2.1
517.40271	3.7
528.19049	2.6
591.44495	3.3
609.28009	3.6
609.45142	100.0
610.45361	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02382	0.4
53.03948	0.5
54.82228	0.4
55.01863	1.3
55.05513	10.8
57.03440	2.9
57.07082	1.7
65.03946	0.7
67.05506	18.0
69.07069	10.1
71.04995	1.0
79.05497	11.5
81.07059	19.5
83.04979	0.9
83.08624	5.5
85.06546	1.2
91.05488	11.2
93.07044	13.5
94.93488	0.4
95.04963	1.7
95.08607	16.7
97.06549	1.9
97.10170	3.6
98.20698	0.6
103.05453	0.6
105.07037	11.4
107.08601	9.6
109.06555	0.9
109.10157	7.7
111.08083	1.0
115.05453	1.0
117.07024	6.0
118.37362	0.3
119.08582	10.3
121.10147	6.1
123.08080	0.7
123.11714	1.9
125.09656	1.5
128.06203	1.7
129.07014	9.7
130.07845	0.4
131.08575	10.1
133.10133	8.0
135.08055	0.6
135.11688	3.2
137.09641	0.6
137.13280	1.0
141.06979	4.0
142.07811	2.0
143.08557	11.4
144.09312	0.8
145.10126	11.0
147.11699	5.0
147.12785	0.4
149.09599	0.4
149.13293	2.0
151.11176	0.6
153.07040	1.4
154.07797	0.9
155.06145	0.4
155.08557	9.7
156.09326	1.3
157.10127	10.8
158.10852	0.6
159.11691	8.3
161.09787	0.5
161.13239	2.5
163.11127	0.5
163.14868	0.9
165.06958	0.7
165.12785	0.4
166.07831	0.9
167.08585	4.7
168.09354	1.6
169.10124	14.5
170.10861	0.7
171.11691	10.1
171.13133	0.5
173.13260	3.9
175.14864	2.1
177.16403	0.6
179.08559	2.0
180.09244	1.1
181.10138	7.4
182.10953	1.4
183.11703	14.2
184.12418	0.4
185.13278	6.7
187.14835	3.0
189.16412	0.9
193.10146	2.7
194.10924	0.6
195.11714	7.6
195.13402	0.6
196.12442	0.6
197.13264	10.3
198.13824	0.5
199.13277	0.6
199.14845	5.7
199.16577	0.5
201.16460	1.5
203.17963	0.4
205.10289	0.6
206.11075	0.5
207.11710	2.6
208.12357	0.5
209.13257	7.1
210.13829	0.6
211.14822	5.9
212.15587	0.5
213.14923	0.3
213.16472	3.0
215.18019	0.8
219.11682	0.8
221.13304	2.8
222.13905	0.6
223.14859	4.5
225.16400	6.2
227.18137	2.8
231.11658	0.5
233.13197	0.8
235.14830	3.3
237.16399	3.7
239.17934	2.7
241.19545	1.4
247.14830	1.1
249.16429	2.2
251.18002	2.1
253.19588	1.6
255.21349	0.5
257.19049	0.4
259.20767	0.3
261.16519	0.6
263.18008	1.1
265.19559	1.6
267.21201	1.1
269.18906	0.5
269.22699	0.3
277.19489	0.7
279.21097	0.8
281.19034	0.4
283.20468	0.8
285.18613	0.4
293.19199	0.4
295.20581	0.8
295.24103	0.6
297.22028	0.7
299.23764	0.5
307.20456	0.7
309.22141	1.3
311.20111	0.5
311.23770	0.7
321.22159	1.0
323.23706	0.9
325.21835	0.8
325.25296	0.5
327.23386	0.5
335.23724	0.6
337.25183	0.8
339.23206	1.3
339.26956	0.6
341.24927	0.5
347.23706	1.0
349.25378	1.1
351.26892	2.0
353.24545	0.4
353.28592	0.4
361.25174	0.6
363.26855	1.2
365.28568	1.6
367.26248	0.6
369.27997	0.6
377.28406	0.8
379.25818	0.8
379.30078	0.9
381.27969	0.7
389.28473	0.5
391.29950	1.0
393.27490	0.5
393.32007	0.5
395.29645	0.7
405.31677	0.6
407.29318	0.8
409.30841	0.6
419.33200	0.6
431.32800	0.5
433.30386	0.5
435.32272	0.6
447.32532	1.6
449.33960	0.5
461.34198	0.7
473.32858	0.4
475.35199	0.4
487.34509	0.4
495.34885	0.6
499.39334	1.8
501.35971	0.8
513.36346	0.5
515.38342	0.5
517.40479	11.3
521.36365	0.7
523.38025	0.6
535.41565	7.4
539.37244	1.1
541.38501	0.4
553.41919	1.1
555.42047	1.2
573.43365	2.0
591.44147	17.4
592.44495	0.4
609.45123	100.0
610.45276	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
53.35228	0.9
55.01861	3.6
55.05263	1.7
55.05509	17.2
56.53620	1.0
57.03433	3.2
57.07076	7.2
59.04995	2.6
59.07835	1.0
61.02891	1.3
61.84177	1.1
65.03920	1.6
67.05502	24.9
68.05816	1.2
69.03426	15.7
69.07068	42.2
69.25385	5.9
69.25806	5.2
71.04987	9.5
71.08614	2.7
73.02905	2.1
75.96030	0.9
79.05489	12.0
81.03416	11.0
81.07055	100.0
83.04981	9.5
83.08619	16.6
85.02431	1.4
85.02908	24.5
85.06550	8.4
86.54145	0.9
87.00844	8.2
87.04429	1.5
91.05464	11.8
93.07042	44.3
95.04963	16.1
95.08606	64.1
97.02912	8.6
97.06509	7.4
97.10165	8.6
99.04476	5.5
99.08076	4.7
103.03920	1.3
105.01853	8.0
105.04514	1.1
105.07038	15.0
107.04951	1.8
107.08589	32.1
109.02888	11.3
109.06524	6.7
109.10152	41.3
111.08053	8.0
111.11712	8.8
113.06047	1.0
113.09581	1.8
117.06992	2.3
119.08585	13.1
121.06520	1.8
121.10142	29.5
123.04433	1.1
123.08066	2.1
123.11703	33.6
125.05972	1.7
125.09620	2.7
125.13248	2.3
127.03914	18.8
127.11182	3.6
129.01802	1.3
131.08548	3.9
133.10143	8.9
135.08087	1.0
135.11688	25.5
137.05940	2.4
137.09561	1.8
137.13257	23.9
139.11143	6.0
141.12712	2.0
143.08551	1.1
145.04945	2.8
145.10117	9.1
147.04407	2.6
147.11687	11.4
149.09526	1.9
149.13275	14.2
151.11230	2.3
151.14821	3.9
153.12715	11.2
154.73045	1.1
155.10649	1.2
155.14285	3.7
159.02863	1.2
159.11722	7.8
161.13268	7.2
163.11192	4.8
163.14774	5.2
165.12712	4.2
165.16411	1.6
167.10658	1.1
167.14313	3.7
171.13821	3.3
173.13290	2.8
173.15417	2.5
175.14763	3.1
177.05383	1.0
177.12758	1.7
177.16415	3.6
177.43933	1.2
181.12233	5.2
185.15431	1.1
187.06027	1.8
187.13240	2.4
187.14803	1.7
189.16443	2.4
191.17833	2.2
193.15823	1.4
195.13657	1.0
195.17387	1.2
201.16351	1.7
203.17918	1.1
205.19608	1.7
209.19073	2.9
213.03914	3.7
215.17896	3.0
217.19562	1.6
231.04988	3.3
235.20499	3.2
245.22694	1.2
251.95085	0.9
259.24216	1.6
261.25717	1.9
271.24280	7.2
275.07001	6.3
277.25229	3.5
279.26721	2.2
289.25250	16.3
295.26294	20.7
307.26309	42.9
313.27393	2.6
325.27368	16.0
343.28445	3.4
361.29303	1.8
407.48669	1.0
433.29108	1.0
537.30463	2.6
609.13885	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.38165	0.6
53.03952	1.4
55.01862	0.8
55.05512	8.3
55.98409	0.7
57.03431	2.6
57.07075	1.5
57.12293	0.6
57.56706	0.6
57.78242	0.6
65.03954	1.1
67.05505	17.8
67.05873	0.9
69.07068	8.2
71.02374	0.9
71.02718	1.3
76.40244	0.6
77.85781	0.6
79.05065	1.0
79.05495	14.7
81.07060	18.9
83.04994	0.9
83.08624	4.5
85.06544	1.2
91.05482	10.0
93.07044	13.0
95.04973	1.7
95.08614	15.2
96.79660	0.6
97.06503	0.9
97.10170	1.6
103.05456	0.7
105.06377	1.0
105.07036	10.9
107.08599	10.6
109.06522	1.5
109.10152	6.1
111.08102	1.0
117.07021	5.8
119.08583	10.2
121.10149	6.9
123.05767	0.6
123.08033	0.7
123.11700	1.5
125.09608	1.3
128.06200	1.1
129.07002	6.1
131.08578	9.4
133.10129	8.8
135.08070	0.9
135.11740	3.5
137.13223	0.7
141.06981	1.9
142.07735	1.1
143.08563	8.5
144.09389	0.7
145.10127	11.4
147.11703	4.9
149.09668	1.1
149.13298	1.7
153.07004	0.7
154.07735	0.7
154.15311	0.6
155.08572	6.7
156.09386	1.3
156.77290	0.6
157.10136	8.8
159.11696	8.1
161.13284	2.7
165.06992	1.0
167.08591	2.6
168.09334	1.0
169.10149	8.2
170.10873	0.8
171.11673	7.4
173.13263	5.3
175.14838	1.7
179.08562	0.9
180.09261	0.7
181.10115	4.4
182.10956	0.9
183.11722	9.6
184.12404	0.6
185.13272	5.9
187.14877	2.6
189.16389	1.0
193.10153	2.6
195.11707	5.2
197.13269	6.5
199.14806	3.9
201.16415	1.9
207.11739	2.0
209.13220	5.2
211.14784	6.1
213.16440	2.5
215.17947	1.2
221.13301	1.3
223.14789	3.5
225.16447	3.7
227.17996	1.9
229.19539	0.9
235.14865	1.6
237.16452	2.7
239.17984	2.4
241.19640	1.2
249.16479	1.2
251.17888	1.9
253.19562	1.7
257.19028	2.9
259.20712	0.6
263.17944	0.9
265.19635	0.7
267.21027	0.8
275.20160	4.3
277.19385	0.9
279.21353	1.1
291.20590	0.6
293.18683	0.6
297.21979	0.8
313.21954	0.7
321.22092	1.1
331.22745	1.4
335.25974	1.3
337.25107	0.8
351.27002	1.3
363.26816	1.0
365.28574	1.2
379.30313	1.0
391.30130	1.3
417.31564	0.8
421.30701	1.0
435.32642	0.8
447.32346	1.2
449.34512	0.8
461.33716	1.2
499.39355	2.3
517.40460	9.4
533.39075	0.7
535.41479	5.9
539.37689	1.5
573.43243	2.0
591.44080	10.8
592.44366	1.0
609.45129	100.0
610.45758	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	609.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46987	0.4
55.01864	0.7
55.05515	2.1
67.05225	0.4
67.05514	4.4
69.07066	2.6
79.05502	4.0
81.07061	4.6
85.52811	0.4
91.05499	3.1
93.07037	3.9
95.04967	1.6
95.08610	2.3
97.06516	0.4
105.07035	2.8
107.04942	0.5
107.08603	2.8
109.10153	1.0
117.02949	0.5
117.07026	1.4
118.66626	0.4
119.08627	2.1
121.10139	1.5
131.08562	1.7
133.10176	2.0
133.11052	0.5
135.11713	0.8
143.08574	0.9
145.10144	2.3
147.11678	0.6
149.09694	0.5
157.10136	1.0
159.11783	2.1
163.11191	0.5
169.10165	0.6
179.14374	0.6
185.13321	0.8
197.10591	0.4
197.13298	0.5
219.17531	0.8
223.12254	0.7
237.13956	0.9
238.59268	0.5
257.18997	0.9
275.20105	2.5
293.21051	0.7
315.19141	0.6
377.17722	0.9
389.18503	0.9
390.18744	0.5
391.19159	1.4
392.20197	1.3
398.50455	0.5
402.18973	0.5
404.20428	1.2
405.20963	2.6
406.21631	1.8
407.22311	2.8
415.19217	1.8
417.21304	0.6
419.18124	0.8
419.22858	0.8
420.23233	0.5
421.23932	4.0
422.24353	0.5
427.18976	0.8
429.20731	1.7
430.22076	0.7
431.22861	0.5
432.19574	1.1
433.15533	0.6
433.20340	1.0
443.22720	0.7
444.23224	1.2
445.20651	0.6
446.21506	0.7
447.17532	2.3
448.18140	0.6
449.23511	0.5
451.22498	0.5
457.23941	0.8
459.21829	1.6
460.23093	0.9
461.19391	5.6
462.20657	2.0
463.21301	1.5
472.22803	0.6
473.19427	0.7
474.20822	0.8
475.21124	6.6
476.21796	4.2
477.22510	4.9
479.24088	0.5
485.23715	4.6
486.20462	2.0
487.25311	0.6
488.22034	1.0
489.22955	4.0
493.22449	0.7
499.21347	3.0
500.21945	0.9
503.24640	6.4
504.22107	1.0
505.22455	0.5
513.22595	0.8
515.24384	4.6
517.22559	1.7
518.23297	0.5
521.26050	3.2
531.23914	7.4
532.24908	0.5
549.25159	1.7
550.25616	4.9
559.23395	4.1
563.26782	1.9
577.24670	1.7
591.26050	10.6
591.44562	0.6
609.27106	100.0
609.44958	10.1
610.27545	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.21439	0.5
55.01861	0.9
55.05506	2.9
57.03415	1.1
57.07072	1.8
67.05510	8.4
69.07073	2.8
70.77376	1.9
71.08627	0.9
79.05498	5.5
81.07061	7.7
83.08633	2.2
87.09484	0.7
91.05481	6.7
93.07037	6.5
95.05001	1.2
95.08608	4.7
97.06532	1.2
97.10159	1.0
105.07024	4.1
107.08595	4.0
109.06514	0.7
109.10150	3.5
117.07008	2.3
119.08582	4.5
121.10155	2.8
129.06995	1.4
131.08568	3.3
133.10112	3.3
135.11713	1.2
143.08563	1.7
145.10156	4.4
147.11703	1.8
155.08603	0.7
157.10197	1.9
159.11694	2.9
161.13315	1.5
167.08678	0.6
169.10129	1.3
171.11668	1.7
173.13245	0.9
183.11702	1.1
185.13271	1.1
197.13373	1.6
199.14822	0.8
209.13351	0.8
239.17879	1.1
257.19012	2.1
275.20300	2.9
331.22598	1.6
335.25891	0.9
404.20758	0.6
415.19290	1.4
417.21365	0.8
419.22861	1.2
429.20981	2.4
431.18433	1.1
433.24152	1.7
435.21927	0.8
443.22562	1.4
444.23291	1.3
446.17590	0.8
447.17419	0.9
447.22580	1.2
449.23566	1.2
459.21518	5.4
460.22910	2.0
461.23712	2.6
462.19971	1.0
467.37408	2.5
468.37634	4.6
472.22720	1.8
473.23398	1.3
476.22260	1.8
477.23016	2.1
485.23517	1.3
487.24911	3.1
489.23413	1.6
503.24603	2.8
511.34338	0.7
517.40558	0.8
519.24170	2.7
521.22150	2.2
531.23981	24.1
532.24744	1.4
534.23242	0.9
549.24915	13.5
563.26733	0.7
591.25854	3.6
608.44037	0.9
609.27100	100.0
609.44348	18.0
610.27814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03950	0.8
55.01867	0.7
55.05508	2.2
57.03431	0.9
57.07060	0.5
65.03976	0.4
67.05506	5.4
69.07062	2.8
70.00614	0.6
70.01033	1.0
71.05026	0.4
79.05494	6.0
81.07059	6.9
83.08627	1.3
85.06538	0.3
91.05492	4.7
93.07046	6.2
95.04975	1.1
95.08608	4.3
95.09168	0.5
97.06545	0.9
97.10148	0.4
103.72356	0.3
105.07032	5.3
107.04942	0.5
107.08594	3.3
109.06548	0.8
109.10163	2.0
111.08157	0.3
115.05494	0.3
117.07031	2.0
119.08571	3.4
119.09213	0.3
121.10148	2.4
123.08092	0.3
123.11700	0.7
129.07019	0.9
131.08560	3.3
133.10123	2.8
135.11679	1.6
138.69847	0.4
143.08580	1.4
145.10126	4.3
147.11684	1.7
149.09648	1.0
149.13370	0.5
155.08582	0.3
157.10181	1.5
159.11703	2.4
161.13281	0.8
163.11230	0.5
165.02464	0.3
169.10188	1.1
171.11745	1.0
173.13290	1.3
179.14453	0.7
183.11685	1.0
185.13300	0.9
187.14796	0.4
194.67812	0.3
195.11720	0.4
197.13307	0.8
199.14862	0.4
201.16475	0.3
211.14848	0.5
213.16490	0.5
219.17465	0.5
223.12338	0.3
229.19556	0.4
237.13960	0.3
237.16415	0.4
238.14508	0.3
239.15593	0.4
239.18001	1.2
247.20654	0.3
257.18985	2.5
261.22241	0.5
275.20053	5.5
293.21136	0.6
309.71045	0.3
326.16901	0.3
329.20853	0.4
331.22623	0.8
335.25958	1.5
362.15784	0.4
376.17044	0.4
377.17880	0.8
378.18335	0.3
386.15442	0.3
388.17917	0.4
389.18228	0.7
390.18631	0.6
391.19302	1.2
392.19907	1.1
393.20877	0.5
400.17157	0.5
401.17654	0.4
403.19791	0.7
404.20819	0.4
405.21118	2.1
406.21524	1.4
407.22195	3.0
413.17728	0.7
414.18610	0.8
415.19019	2.2
416.19788	0.5
417.21335	0.5
418.21887	0.5
419.17947	0.6
419.22473	1.0
420.23392	0.6
421.24005	3.2
422.24744	0.4
427.19360	1.2
429.21100	2.1
430.21832	1.3
431.18317	0.5
432.19424	0.6
433.20352	1.4
434.20752	0.4
442.21429	0.9
443.23080	0.5
444.23236	1.0
445.20358	0.9
447.17294	1.8
448.18561	0.6
449.24060	0.4
452.22205	0.4
456.19412	0.5
457.24655	1.9
458.24823	0.5
459.21875	2.3
460.22638	1.0
461.19257	4.6
462.20071	1.5
463.20889	1.7
470.21335	0.5
471.18262	0.9
472.22760	1.0
473.19623	0.5
474.20456	1.2
475.20847	6.1
476.21719	5.6
477.22321	3.3
478.23718	1.0
479.24731	0.6
485.23557	7.6
486.19971	2.0
487.25320	1.0
488.21976	0.7
489.22949	4.0
490.22836	0.5
493.21744	0.4
493.26709	0.5
494.26846	1.0
497.23196	0.8
499.21219	2.3
500.22226	1.0
501.21762	0.4
503.24530	4.9
504.20847	0.4
504.25684	0.5
513.22882	1.0
515.24524	7.2
517.22699	0.6
517.40271	0.4
521.26208	2.7
522.26056	0.4
531.23926	13.7
532.24512	0.6
533.24994	0.5
535.23181	0.8
535.41064	0.4
541.22253	1.0
548.24713	0.7
549.25037	1.6
550.25739	3.6
551.25690	0.3
559.23438	6.2
563.26282	0.4
577.24445	1.6
581.28033	0.4
591.26013	26.6
591.42883	0.8
592.26331	0.5
609.27087	100.0
609.44440	19.3
610.27570	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23827	0.7
55.05498	2.1
56.71984	0.6
67.05502	4.3
69.03424	1.0
69.07050	1.0
71.58665	1.5
79.05486	2.8
81.03415	1.6
81.07083	3.4
85.02912	1.2
91.05486	2.7
93.07047	3.2
95.04966	1.4
95.08609	1.5
97.02889	1.0
97.06538	1.3
105.07046	2.3
107.04955	2.6
107.08606	1.7
108.22556	0.8
109.06531	0.7
109.10142	2.2
115.56180	0.7
117.07034	0.6
119.08574	1.9
121.06543	0.9
121.10162	1.1
131.04919	1.1
131.08592	1.1
133.10127	2.3
135.11729	1.5
137.05956	3.8
145.10159	1.5
152.07062	2.4
163.11116	0.9
167.07115	0.8
184.07324	1.2
227.12831	2.1
231.08102	1.7
259.07480	4.0
271.09766	0.9
273.11249	3.1
273.18399	0.8
274.05850	0.8
291.19629	2.6
411.10611	1.2
442.13507	1.3
447.13782	2.1
447.27667	1.3
447.71817	0.9
448.14746	0.9
449.15588	1.0
457.12018	1.1
458.13052	2.8
459.13687	2.6
469.12225	2.0
471.13626	1.2
473.11545	0.9
475.13275	2.4
476.13748	1.4
485.11761	2.6
486.12421	2.4
487.13284	6.8
488.13800	1.5
490.12299	1.0
491.12680	1.3
501.11230	1.0
502.11945	1.6
503.12936	5.3
504.13116	1.5
505.14142	5.9
506.15253	2.3
514.12341	1.1
515.12665	1.5
516.13379	1.1
518.11499	1.5
519.12408	1.0
520.14105	0.8
531.12231	8.4
532.12720	1.0
533.13782	4.6
541.10944	0.9
547.11676	4.9
548.12451	1.6
549.13293	2.5
559.11707	7.7
563.14783	2.0
565.16620	1.2
575.11407	9.2
577.12866	12.0
591.14301	23.4
592.14386	1.4
609.15411	100.0
610.15796	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	609.145
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
53.03934	1.6
55.01868	0.7
57.03424	0.7
61.02909	1.6
61.32940	0.4
64.83990	0.3
67.05492	0.6
68.99747	0.3
69.03086	0.4
69.03435	5.5
69.52493	1.8
69.52918	1.6
71.04979	1.7
73.02911	1.8
81.03414	7.5
81.07066	0.4
83.04984	0.5
85.02907	17.2
86.03227	0.9
91.03938	0.7
97.02894	10.9
99.04457	10.3
101.02364	0.4
103.03944	14.5
104.04283	0.4
105.07047	0.7
109.02881	6.4
111.00800	0.9
118.65810	0.4
121.02883	0.8
123.04369	0.6
127.03917	24.8
128.04260	0.9
128.55261	0.3
137.02335	2.9
137.05933	0.5
143.77528	0.4
145.04964	11.2
146.05284	0.6
147.04509	0.4
153.01817	2.7
161.06096	0.4
163.03909	0.5
163.06029	6.2
164.06331	0.7
165.01849	1.4
169.04890	0.4
177.05475	0.4
183.02919	0.8
187.04460	0.4
187.05977	2.5
199.05907	0.4
201.05446	1.6
205.07069	0.8
215.03307	0.5
229.04944	2.6
247.06017	0.7
253.07277	0.5
257.04449	1.9
271.08255	1.9
274.04648	0.8
285.04044	0.9
285.16977	0.5
289.09326	0.9
301.07098	1.1
303.05002	100.0
304.05267	1.0
307.10153	0.9
308.10706	0.7
325.87317	0.4
327.04721	0.5
345.06216	2.2
369.05566	0.4
411.06659	0.8
465.45068	0.4
471.82513	0.5
583.82831	0.4
609.17963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1452
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
51.02386	0.2
53.03946	1.5
55.01867	0.4
55.05499	0.3
57.03422	0.7
58.15081	0.1
59.04977	0.2
61.02926	1.2
68.99799	0.5
69.03073	0.3
69.03427	4.0
70.19898	0.7
71.04990	0.8
73.02917	1.2
79.05506	0.2
81.03416	5.7
83.01351	0.3
83.04981	0.4
84.08140	0.2
85.02904	13.9
87.04450	0.5
91.03967	0.9
93.03423	0.3
95.04964	0.7
97.02892	7.9
99.04453	9.5
100.89487	0.1
101.02370	0.3
103.03944	9.1
105.07041	0.3
109.02880	6.2
111.00774	0.8
115.03951	0.4
121.02859	0.7
123.04417	0.4
127.03918	17.5
137.02336	2.7
137.03394	0.2
142.23454	0.2
145.04958	7.9
149.02368	0.5
153.01822	3.2
161.05978	0.3
163.03925	0.3
163.06032	1.6
165.01831	1.4
169.04974	0.3
173.06010	0.3
183.02815	0.5
183.04341	0.2
187.04333	0.3
187.06032	2.5
189.12595	0.2
193.12241	0.3
195.02881	0.2
199.06142	0.3
201.05444	1.5
205.07071	0.6
208.83562	0.2
219.06531	0.2
228.04214	0.2
229.04947	4.0
247.06050	0.7
253.07111	0.4
257.04465	2.5
267.15857	0.2
271.08157	1.2
274.04599	0.6
275.05396	0.2
285.03925	1.2
285.16882	0.3
286.04517	0.2
289.09229	0.4
302.04492	0.2
303.04990	100.0
304.05249	0.7
315.04968	0.6
327.04999	0.6
345.05994	2.6
369.05981	0.6
393.05786	0.3
411.07132	0.6
447.09500	0.3
447.18430	0.6
609.23175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.0
57.03430	1.3
57.07077	14.2
59.04992	1.2
62.52427	0.6
62.91632	0.7
65.03932	0.7
67.05505	38.0
69.07066	3.6
70.77544	1.4
71.04991	0.9
71.08630	11.3
79.05500	1.7
81.07059	11.4
83.01302	0.6
83.08617	5.5
85.10182	5.5
91.05482	3.4
93.07053	2.7
95.04982	0.8
95.08605	10.0
97.10183	2.1
98.98463	0.8
105.07062	0.9
107.08598	1.2
109.10154	35.0
111.08092	1.4
119.08585	2.2
121.10133	0.6
123.11700	2.1
135.08073	0.7
137.09671	0.9
143.08585	0.7
155.10648	1.0
157.10118	0.9
173.11757	5.0
180.13821	3.2
198.14891	5.7
203.65993	0.6
205.29271	0.7
229.14349	1.7
239.23682	1.7
246.04123	0.7
273.18335	0.7
278.11627	0.8
282.27893	1.7
301.31955	0.7
313.27423	2.4
334.14343	1.1
352.15216	2.3
467.37344	100.0
468.37646	3.2
590.38062	8.9
605.63702	0.8
608.44568	4.6
619.87872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
53.04395	0.2
71.19746	0.6
104.36623	0.3
177.05533	0.4
214.01260	0.3
286.13522	0.3
338.40695	0.3
388.16858	0.5
389.17621	0.8
390.18729	0.3
401.18030	0.4
402.18292	0.8
403.19107	2.5
404.20233	0.8
405.20844	1.3
415.19226	0.7
416.20319	0.6
417.16220	0.5
417.21375	2.4
418.21759	1.5
419.22327	3.3
430.17966	0.9
431.18100	6.4
431.23639	0.6
432.18527	1.4
433.24179	6.2
434.24768	0.9
444.19461	0.8
445.19742	7.0
446.20871	3.2
447.21683	3.1
449.23267	0.3
457.20309	0.4
458.21906	0.4
459.21494	3.5
460.22531	8.0
461.23395	9.2
473.23694	2.7
474.24094	1.0
477.23254	0.6
487.24945	1.2
488.26093	0.3
489.23331	0.3
491.24957	0.6
492.25330	0.8
505.21875	2.3
506.26508	0.4
515.23987	0.4
518.23346	0.4
519.24316	1.3
519.27118	1.4
528.99146	0.3
532.24304	0.4
533.25183	0.5
541.75739	0.3
547.27063	26.9
548.27478	0.8
575.26483	0.8
578.25580	0.4
579.29541	0.3
607.29132	100.0
608.29584	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01858	5.7
55.05303	1.8
55.05515	18.6
57.03436	3.1
57.07072	5.6
58.92920	2.0
59.04983	1.9
61.02935	4.2
67.05173	2.7
67.05506	28.6
69.03431	16.0
69.06728	2.8
69.07069	40.5
70.06571	2.7
70.50016	8.3
71.04985	5.2
71.08630	2.6
73.02906	2.5
79.05491	18.1
81.03423	14.2
81.07060	100.0
83.04986	6.4
83.08618	11.5
85.02903	22.1
85.06548	10.0
86.09733	2.5
87.00828	9.6
91.05472	12.7
93.07052	46.9
95.04972	7.8
95.08613	79.8
96.05319	2.1
97.02899	12.5
97.06541	16.8
97.10172	26.8
99.04446	5.6
99.08131	2.4
105.01842	4.1
105.07033	16.6
106.28230	1.8
107.08603	46.4
109.02892	15.1
109.06528	3.1
109.10160	37.1
111.04438	2.8
111.08102	15.1
111.11706	8.8
113.09641	2.5
117.06992	2.3
119.08584	15.2
120.08027	2.9
121.06530	3.6
121.10153	31.5
122.05994	3.1
123.08083	6.0
123.11710	60.7
124.12016	2.2
125.05959	2.1
125.09625	7.1
127.03913	15.5
127.11166	2.3
131.08554	5.1
133.10120	10.6
134.06105	2.1
135.08127	2.0
135.11705	17.0
136.07562	4.9
137.05984	6.9
137.13266	27.2
139.11182	18.4
141.12741	4.5
143.08589	2.8
143.10657	3.0
143.12881	2.0
145.10088	3.6
147.04420	6.0
147.11716	13.5
149.05952	2.1
149.09596	3.2
149.13258	49.7
151.11172	5.1
153.12749	7.0
155.14301	5.2
157.12257	14.1
159.07996	2.2
159.11679	8.0
161.13324	10.1
163.07460	2.7
163.11197	3.1
163.14825	8.5
164.07112	6.0
165.08989	2.4
165.12683	3.0
167.07001	2.1
167.14278	2.5
168.05931	2.0
168.09424	1.9
169.12259	5.3
171.11632	2.4
171.13852	2.5
173.13268	5.9
175.14969	3.1
177.05446	7.1
177.09097	2.5
179.14288	2.2
183.13753	2.6
187.13280	17.3
187.14679	2.6
189.12874	2.7
189.16365	4.5
203.12750	10.0
203.17899	4.3
207.17615	3.1
209.15318	2.6
213.04059	3.5
213.16426	3.0
214.17934	2.2
219.17441	2.3
223.17010	3.3
231.05028	4.3
231.17328	2.6
237.18628	2.3
249.18481	6.1
259.24149	2.6
269.22653	2.5
275.23489	2.9
277.25223	4.2
282.17746	2.7
287.23648	3.8
293.24707	14.3
305.24762	78.0
311.25668	5.2
323.25806	50.8
341.26807	7.4
359.27924	9.8
400.55316	2.2
413.26520	3.4
431.27866	4.1
433.28214	2.2
447.10550	2.5
526.71313	2.2
535.28998	2.4
553.30115	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	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
50.53036	0.6
55.05506	2.0
57.03434	1.1
57.07072	1.0
66.31438	0.7
67.05509	7.1
69.07059	3.9
79.05489	5.8
81.03406	1.2
81.07044	5.9
83.04940	0.8
85.06530	1.1
91.05478	8.7
93.07026	5.3
95.01346	0.8
95.04980	1.2
95.08616	5.5
97.06549	0.7
105.07028	9.9
107.04946	1.5
107.08611	2.5
109.06510	1.1
109.10178	1.6
110.40798	0.7
117.07042	3.1
119.08575	5.3
121.10167	1.1
123.08083	0.7
129.06998	2.2
131.08578	3.5
133.10120	4.9
143.08530	1.0
145.10117	3.4
147.11726	2.2
155.08560	1.0
157.10132	1.5
159.11736	2.1
161.13223	1.2
163.11176	0.7
169.10176	1.0
171.11731	0.8
173.13292	1.4
179.14400	0.8
181.10098	1.5
185.13324	1.1
199.14952	0.7
219.17435	5.2
237.16510	0.9
259.20517	1.3
275.20078	6.0
293.20758	0.9
315.23218	2.3
374.15292	0.9
387.16269	1.0
389.17661	3.9
390.18637	1.0
402.18741	0.9
403.19406	4.7
404.19968	2.9
405.20734	3.0
416.16299	1.2
417.16226	4.6
417.21356	2.3
418.22009	1.2
419.22269	8.5
420.22903	1.2
429.16669	0.9
430.17599	1.5
431.18304	7.9
432.19553	1.8
433.20306	3.0
445.20279	7.2
446.20938	6.5
447.21808	8.2
459.17493	1.2
459.22583	1.4
460.18546	0.9
463.25089	1.2
474.20511	8.8
475.21207	11.5
487.21237	2.2
490.23730	1.3
491.20187	1.5
501.22824	0.8
519.24072	14.4
529.21826	0.9
547.23419	56.6
548.23761	2.3
561.24811	1.8
579.26086	2.3
589.24780	1.3
607.25537	100.0
607.42853	16.3
608.25903	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
66.01230	0.4
67.05499	0.9
70.20155	0.8
70.20548	1.0
74.50826	0.4
81.07057	0.8
91.05504	0.6
95.08573	0.6
105.07010	0.6
115.61094	0.4
120.08122	0.4
121.14207	0.3
123.22197	0.3
147.11667	0.4
185.78148	0.4
231.56721	0.4
311.31870	0.4
315.39133	0.4
375.16150	0.9
388.16821	0.8
389.17624	2.6
390.18427	1.0
391.97699	0.4
401.17838	0.7
402.18878	1.0
403.14847	0.5
403.19455	3.0
404.20279	1.7
405.20770	2.8
415.19458	0.7
416.16162	0.8
417.16223	3.6
417.21417	1.5
418.17212	0.8
418.21896	0.9
419.22443	5.5
420.23047	1.0
430.17609	1.0
431.18314	6.8
431.24164	0.5
432.19281	2.8
433.20081	3.8
443.18552	0.5
445.20184	4.6
446.20990	7.6
447.21817	7.4
448.22748	0.8
459.17133	0.7
459.22174	1.4
461.19440	1.9
462.24207	0.7
463.25473	0.6
473.24002	0.8
474.20203	4.0
475.21078	4.1
477.23236	0.5
478.23672	1.0
487.21326	1.3
490.23590	0.7
491.20370	2.4
501.22873	1.3
504.21338	0.7
506.23593	0.8
519.24133	16.0
520.24933	0.8
529.22571	0.5
547.23315	11.3
548.23932	1.1
551.26666	0.5
561.25061	0.5
579.26068	6.2
580.26111	0.4
607.25482	100.0
608.25806	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	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.32508	0.4
67.05492	1.4
69.07059	0.9
71.60188	0.7
79.05485	0.7
81.03441	0.6
81.07053	1.2
81.54527	0.4
84.88310	0.4
87.43955	0.4
91.05499	0.9
93.07034	1.0
95.08625	0.7
131.08536	0.4
131.95096	0.4
133.10152	0.7
171.11749	0.4
173.13235	0.6
209.10851	0.5
212.84653	0.4
244.55544	0.4
259.07568	1.2
260.08130	0.5
306.50098	0.5
324.15237	0.5
335.25800	1.1
336.26273	1.4
374.15283	0.5
387.16403	0.4
389.17688	1.9
390.18369	0.9
391.18927	0.6
401.18365	0.6
402.18930	0.5
403.14740	0.5
403.19522	3.8
404.19925	1.5
405.20779	1.7
415.19507	0.7
417.16626	3.6
418.17276	1.0
418.22104	1.0
419.22543	4.9
420.23279	1.3
430.22177	0.6
431.18295	6.4
432.18845	2.8
433.20197	3.2
443.18472	0.6
444.19781	0.7
445.20181	4.2
446.21088	6.5
447.21713	5.6
459.17233	0.7
459.22714	1.0
460.18726	0.7
461.19821	1.5
462.24280	0.8
463.25482	0.8
473.23212	0.5
474.20218	3.4
475.21167	4.4
477.23279	0.8
478.24127	0.7
487.21417	1.7
488.22052	0.5
491.20200	2.5
501.22968	0.7
505.22449	0.5
519.24023	16.7
547.23364	12.8
561.24255	0.5
575.14044	1.0
579.25885	5.2
580.25775	0.6
586.13232	0.9
587.13348	0.5
592.22467	0.5
607.25507	100.0
608.26221	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	607.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.7
65.03925	3.1
67.05510	6.1
69.03397	2.0
69.07071	2.3
70.32123	5.9
70.32521	4.1
78.04700	4.5
79.05496	19.9
81.03439	2.8
81.07063	7.7
82.07439	1.8
83.04951	3.1
83.08612	2.3
84.77193	2.1
86.87296	1.9
91.05473	13.6
92.40322	1.8
93.07055	3.7
94.04171	3.4
95.04954	5.0
103.05487	14.8
105.07038	18.0
106.04195	2.2
107.04958	69.7
107.08587	3.2
109.02862	1.9
111.04449	4.4
115.05453	7.7
117.07044	11.7
118.04157	3.6
119.08554	2.3
121.06528	5.6
122.03698	4.6
123.04434	10.5
124.05254	2.9
125.06058	3.0
128.06242	3.5
129.06993	7.9
130.04123	2.5
131.04935	23.6
131.08562	5.8
133.06514	14.1
133.10077	2.3
135.04437	16.6
137.05981	71.2
141.06998	9.5
143.04881	2.3
143.08601	3.0
145.03967	3.5
145.06502	16.4
146.03682	3.2
147.04443	2.7
147.08095	2.3
149.05981	2.4
151.03894	2.8
151.07558	4.8
153.05507	6.3
153.07001	12.3
154.07784	4.3
155.08577	10.7
156.05698	4.1
157.06471	4.0
159.08047	4.1
161.06007	20.5
163.03912	60.1
163.05368	2.8
163.07576	26.7
165.07048	6.0
167.07047	100.0
169.06511	8.9
171.08037	7.0
173.06004	3.0
175.07555	10.2
176.04721	4.8
177.09116	30.2
179.07027	7.4
181.05031	4.0
181.06474	16.4
181.08597	8.9
182.07301	5.7
183.08058	18.3
185.09584	4.6
186.99760	2.4
187.07549	14.3
189.09134	8.0
191.07056	22.0
193.08618	78.8
195.06509	25.0
195.08031	3.6
198.06752	2.0
199.07541	18.2
201.09129	13.7
202.07820	3.1
205.08606	4.9
211.07547	5.4
212.08383	2.9
213.09093	33.1
214.09900	38.6
215.08698	3.4
215.10687	32.5
216.07637	3.1
217.08627	3.9
219.08237	3.5
221.09602	3.2
223.07571	5.0
225.09041	2.9
227.10773	3.0
227.12769	2.6
229.12045	2.2
231.08078	5.4
231.10129	28.6
234.06628	3.6
236.08408	2.6
237.08994	2.3
240.07776	2.5
243.08015	2.7
245.11845	4.1
247.07684	3.5
248.08449	2.6
249.09172	6.1
251.07037	5.9
259.07645	9.4
260.08231	4.0
261.09064	2.6
265.08530	3.1
266.09155	2.3
274.12064	5.9
275.06998	2.6
275.10706	4.1
277.08554	2.9
279.06763	2.7
279.10101	3.3
281.11630	6.8
283.09695	7.2
289.08356	2.9
291.10071	3.5
291.19687	2.3
294.09082	2.9
295.09915	2.4
295.13318	2.4
297.11316	5.2
300.10052	2.6
303.10242	6.8
307.09674	3.8
307.13293	5.1
309.11258	13.3
315.12253	22.1
323.08932	3.0
324.13586	2.4
325.10797	3.6
326.11530	3.1
335.12671	16.3
339.12439	5.2
339.16016	2.7
341.13895	29.0
343.15396	7.7
345.13187	2.8
347.12860	3.9
351.16064	2.8
353.17612	12.0
355.15369	14.8
361.14392	2.6
361.93436	2.4
365.17566	2.4
367.15411	58.1
367.20013	3.6
369.13400	3.8
371.15015	6.1
379.15393	7.1
393.16937	5.1
427.17145	2.8
515.20526	5.9
542.40448	2.3
545.13629	2.8
547.23230	23.4
563.14746	4.9
607.34308	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
57.03418	0.8
64.88387	0.6
67.05500	3.8
69.03406	0.8
69.07056	0.8
70.92330	1.7
79.05482	1.9
81.03410	1.9
81.07044	3.2
83.69275	0.6
85.02882	0.8
91.05470	2.3
93.07038	2.2
95.04966	0.7
95.08604	2.2
96.08997	0.7
98.09337	0.7
105.07022	1.0
107.04971	1.5
107.08600	2.3
109.06509	0.7
109.10129	1.3
110.77484	0.8
117.07028	0.9
119.08577	1.1
121.10194	0.8
131.08624	1.1
133.10139	1.0
137.05978	1.4
143.08614	0.8
145.10126	0.7
219.08128	1.4
229.06424	0.8
231.08061	1.4
233.06046	1.0
245.05995	0.9
247.07507	3.0
248.07988	0.7
258.06686	0.9
259.03888	0.7
259.07495	2.2
266.03766	0.7
271.07550	3.2
272.08313	1.6
273.05673	1.5
274.06339	1.0
275.07031	8.2
276.91583	0.6
277.21786	0.7
286.06302	1.1
287.07047	9.0
299.06854	1.2
300.07993	1.0
302.05548	0.9
303.06522	0.9
304.07114	1.5
315.06470	1.1
320.17267	0.8
411.10266	0.9
421.08414	0.9
422.09421	0.7
439.09769	1.6
440.10440	1.3
459.13876	1.5
461.11725	0.7
469.12170	2.1
470.13409	1.0
473.11612	1.2
477.14587	1.2
480.11487	2.2
485.11792	0.8
487.13324	6.7
497.11646	1.7
498.12201	3.3
499.13492	0.9
503.12759	1.6
505.14325	5.9
514.11993	2.0
515.12726	13.0
516.13385	4.0
525.11157	1.3
527.12805	1.5
531.12469	1.1
532.13025	1.8
533.13873	30.6
542.11713	0.7
543.12231	9.6
544.12952	2.5
545.14056	0.7
553.10956	0.8
554.11371	0.6
560.12537	1.3
561.13336	100.0
562.13617	2.3
569.10004	1.8
570.11115	2.2
571.11633	9.1
575.11523	1.6
589.12762	24.8
590.13025	1.2
607.13971	0.9
607.34839	2.1
620.65369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35263	1.2
55.05506	3.3
57.03416	1.5
67.05490	5.9
69.07066	2.1
70.72142	3.8
78.05247	1.5
78.68195	1.2
79.05476	5.6
81.03419	2.1
81.07059	11.4
83.05009	2.0
83.08602	1.5
85.02901	2.6
91.05492	6.6
93.07033	4.7
94.04175	3.0
95.04971	2.2
95.08594	2.1
103.05457	4.3
105.07027	5.4
107.04960	3.8
107.08565	3.8
108.80351	1.3
109.06535	4.1
109.10161	1.7
111.04510	1.6
115.05457	1.7
117.07020	3.3
119.08600	1.9
121.06507	1.7
121.10117	1.8
122.03620	4.0
123.04440	1.5
128.05254	1.3
129.06953	1.9
131.04918	4.9
131.08551	4.3
133.06456	2.6
133.10150	3.3
137.05981	58.9
143.08629	1.4
145.06487	4.9
145.10141	2.5
147.08034	2.1
151.07539	2.0
159.08002	2.0
163.07565	9.3
163.10985	1.8
167.07034	15.4
171.07985	1.9
175.07541	1.6
177.09077	6.2
179.07051	1.5
187.07486	2.0
189.07219	1.3
189.09108	7.5
191.08656	2.9
191.10623	6.1
193.08551	2.6
202.07762	5.8
203.08591	7.7
211.07544	1.7
217.08530	3.1
217.54286	1.6
218.07266	3.4
219.08060	3.8
223.19923	1.4
229.06339	1.8
231.08041	14.5
237.09169	3.1
242.07332	3.0
247.07481	9.8
257.06030	3.8
258.06766	13.0
259.07550	100.0
260.08002	2.1
261.05331	1.9
261.09225	1.7
273.18512	1.9
275.07028	21.4
276.07767	2.3
277.08624	4.0
285.05338	6.8
286.06229	2.1
287.07025	27.9
289.05624	2.0
289.08578	7.4
290.09247	1.4
291.19510	10.8
299.14908	2.9
303.06537	96.7
304.07291	13.0
305.08096	98.9
306.08502	1.9
308.10373	4.2
315.08658	2.0
323.09094	4.5
330.11057	2.9
333.11179	1.6
336.09940	1.6
337.10654	7.4
343.11652	4.0
354.11032	1.5
357.13101	1.4
369.13281	29.4
393.16751	2.3
515.20642	3.4
545.13770	2.2
547.23193	5.8
563.14978	10.7
589.33350	4.7
607.13824	9.0
607.25208	6.6
607.34546	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	606.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50800	0.4
51.34284	0.3
53.03944	0.4
53.38731	0.3
54.26673	0.4
55.01875	1.8
55.05516	0.5
56.11910	0.4
57.03426	0.9
65.03944	0.4
67.05499	1.2
69.03435	1.1
69.07070	14.9
70.06599	1.0
71.04990	1.3
71.59152	0.4
73.06556	1.0
79.05498	4.8
81.03425	1.2
81.07059	0.9
83.04969	0.6
85.02905	1.9
85.06586	0.4
86.09692	0.6
91.05480	9.7
93.07043	0.7
95.04986	0.8
95.08626	0.6
97.02892	1.6
97.06534	67.6
98.06859	0.6
99.04417	0.5
105.07030	0.4
107.04961	0.8
107.08574	0.5
109.02876	0.5
109.06528	1.4
109.10152	0.6
115.07567	1.7
117.06999	0.5
119.04956	6.4
119.08570	0.9
121.06537	1.0
121.10159	0.6
123.04485	0.5
127.03933	1.5
131.08620	0.6
133.06487	1.3
133.10109	0.5
135.04385	1.5
135.08072	0.5
136.05203	0.5
137.05980	80.9
138.06302	1.2
145.02866	0.5
145.04971	0.6
145.06487	0.4
147.04416	4.7
147.11754	0.4
149.01210	0.6
149.05968	1.2
151.06244	0.5
152.06990	0.6
163.03917	3.9
163.07584	1.3
164.07024	0.6
177.05501	0.8
184.07394	0.9
187.11241	0.5
189.09105	9.1
191.10664	0.7
202.10619	0.4
205.12228	0.9
215.10680	1.4
229.14360	0.4
233.11731	64.8
234.12029	1.7
248.12794	0.9
250.14395	100.0
251.12764	28.7
268.08826	0.7
268.15466	9.0
325.09085	0.4
364.16214	0.9
606.24902	1.2
607.18237	0.6
634.61926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58562	0.7
55.01873	2.3
56.97633	0.9
57.03435	1.1
61.31446	0.6
67.05502	2.1
69.03426	3.2
69.07070	7.2
70.06593	1.9
71.05013	0.7
71.58519	0.8
71.58887	0.6
79.05499	7.0
81.03417	2.1
85.02911	4.6
86.09701	1.4
91.05478	9.1
93.07017	0.7
95.04988	1.0
97.02892	2.2
97.06535	73.2
98.06818	1.0
99.04460	0.8
104.10745	0.9
105.07046	1.1
107.04963	0.8
107.08610	0.9
109.02839	1.7
117.03419	0.8
119.04974	3.4
121.06540	0.9
123.04433	0.9
127.03925	3.4
129.28848	0.6
133.06459	1.1
135.04419	3.9
137.05983	58.1
145.02847	2.0
145.10117	0.9
147.04440	4.6
149.05966	0.9
150.05518	0.7
151.03899	1.1
152.07074	0.7
159.11674	0.7
163.03917	27.2
163.07533	1.3
163.95815	0.7
164.07014	0.8
177.05399	1.3
189.09129	8.0
197.11732	0.8
215.10710	1.0
233.11731	86.1
234.12090	1.8
248.12775	0.7
250.14391	100.0
251.14709	2.7
325.09167	3.2
389.12317	0.7
605.85260	0.7
606.22327	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	605.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	1.1
59.92555	1.0
67.05495	1.8
69.07067	1.2
71.26358	1.0
71.59038	1.2
79.05503	1.7
81.03428	1.3
81.07049	2.6
85.02909	1.5
91.05481	3.7
93.07029	2.4
95.04990	1.3
95.08545	1.4
97.06522	1.1
102.58419	0.9
105.07034	2.4
107.04977	1.3
107.08596	1.6
117.07037	1.3
119.08610	1.2
121.10121	1.1
125.09612	1.0
133.10057	1.1
137.06029	0.9
141.49417	0.8
143.08461	0.8
231.08090	4.2
233.05992	1.8
258.06805	1.3
259.07538	1.5
266.35547	0.9
269.06018	2.2
273.05478	1.9
285.05444	2.2
302.17639	3.4
303.18054	1.3
313.04932	6.0
337.10522	1.0
346.20050	1.2
354.84573	1.0
366.10361	1.7
393.09216	1.0
395.10648	1.3
414.10056	1.2
416.11600	1.0
422.09299	1.7
429.12619	2.1
431.14240	1.6
432.11551	1.3
434.12967	1.0
439.10172	3.6
442.13538	2.4
445.12335	1.1
447.13950	1.9
457.11996	1.7
458.12921	4.1
459.14072	4.4
467.10687	1.8
468.11517	2.0
469.12216	5.9
471.14099	7.1
474.12607	1.3
475.13293	2.5
477.14713	2.5
485.11578	2.3
486.12369	1.7
487.13354	26.9
488.14035	6.3
489.15112	6.2
494.09726	1.1
496.10739	1.4
497.11731	3.2
498.12616	5.4
499.13248	1.3
503.12915	4.3
505.14505	10.9
506.14987	1.2
513.11224	16.3
514.12073	7.6
515.12762	19.2
516.13605	8.3
531.12311	60.3
532.12744	4.6
533.13867	100.0
534.14191	4.7
543.12268	2.3
559.11938	10.3
561.13049	5.5
577.12817	4.3
605.15961	4.5
605.34369	1.6
632.56610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09044	4.4
54.34098	3.4
55.05515	31.9
57.03433	5.8
57.07060	7.4
67.05502	26.3
69.03426	22.5
69.07071	50.7
70.06575	4.3
71.04986	9.1
71.59431	8.1
73.02920	6.2
79.05510	21.6
81.03416	23.7
81.07060	100.0
83.04978	8.1
83.08617	10.3
85.02901	18.9
85.06530	15.8
86.09739	4.9
87.00832	5.7
91.05479	27.1
93.07052	54.4
95.04980	21.8
95.08609	58.8
95.89632	4.0
97.02890	15.9
97.06540	20.5
97.10193	43.5
99.04445	8.3
99.08092	6.9
105.01900	4.5
105.07034	39.7
107.08592	46.6
109.02879	18.3
109.06501	14.5
109.10151	42.6
111.08057	11.6
111.11739	12.8
119.04913	6.5
119.08578	29.7
121.10160	45.8
123.08055	6.3
123.11708	63.2
125.09612	11.5
125.19875	3.8
127.03922	23.1
131.08539	9.7
133.10130	20.5
135.08047	5.8
135.11693	27.2
137.05962	6.1
137.09659	3.9
137.13278	13.4
139.11197	34.0
143.08536	5.1
145.04979	5.6
145.10127	15.3
147.04427	17.7
147.11678	26.7
149.13264	14.4
151.03874	4.4
151.11172	7.1
153.12781	20.5
155.11795	8.1
157.10165	6.8
157.12201	22.0
157.48933	4.3
159.11710	14.1
161.09637	4.7
161.13277	10.4
163.03943	7.5
163.07480	4.4
163.11230	11.1
165.09129	10.0
165.12799	10.2
167.07042	6.0
171.11670	6.9
175.14868	6.1
177.05450	6.2
179.10593	4.7
184.07361	4.7
185.13362	5.4
187.13261	8.6
187.14801	5.0
201.16504	5.4
203.10971	5.0
203.12805	11.7
205.15970	4.5
231.05226	6.3
231.07936	8.8
247.07483	5.0
251.16406	10.2
269.17496	5.8
275.07101	26.5
275.23730	10.0
276.07410	25.7
285.22031	7.5
291.23169	13.7
298.81812	4.6
303.23181	62.9
309.24265	13.7
321.24265	90.1
322.24368	4.9
339.25351	30.4
357.26303	7.2
533.28326	4.8
543.14661	10.1
551.28619	6.1
605.22723	15.2
606.22980	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	605.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45792	0.4
56.38284	0.4
67.05500	1.1
74.38306	0.4
77.98640	0.4
79.05494	1.2
81.07057	0.9
90.05573	0.6
91.05478	0.8
93.07043	0.8
95.08592	0.5
98.22739	0.4
105.07054	0.8
107.08605	1.1
108.78799	0.4
119.08604	0.7
121.10129	0.6
131.08568	0.7
133.10135	0.6
135.11746	0.8
145.10159	0.7
147.11726	0.6
183.14886	0.4
184.07420	0.6
184.87712	0.4
202.07855	1.1
203.08591	1.3
207.11734	0.5
213.06889	0.6
215.08611	0.4
218.07307	1.4
229.06496	17.3
230.07175	0.8
231.08070	2.8
245.06160	0.5
246.06802	1.5
247.07614	0.8
255.07748	0.4
257.06009	13.6
258.06747	5.3
259.07571	24.8
260.08148	1.0
274.06180	2.4
275.07166	1.4
286.06284	1.4
287.07101	1.7
289.08557	2.7
302.05731	0.8
303.06534	1.6
317.08054	0.7
344.18976	0.4
397.12189	0.5
441.12753	0.4
442.13663	0.5
443.14328	1.1
453.13083	0.6
459.13812	2.2
460.14575	2.4
469.12067	0.9
471.14145	2.7
487.13315	1.4
488.14047	0.6
489.14761	0.6
498.12698	1.7
499.13394	2.4
500.13925	1.9
505.14243	1.4
509.11938	0.6
510.12317	0.6
514.15845	1.7
515.13135	1.7
516.13525	3.3
517.14636	1.0
526.12018	1.5
527.12952	3.7
528.13452	0.7
529.13885	0.5
531.15961	7.4
533.14014	1.5
534.14642	0.5
541.14526	0.7
542.14972	0.7
543.12555	2.3
544.13232	2.0
545.13794	1.3
548.16437	0.4
554.11407	0.6
555.12238	1.7
559.15582	3.2
561.13116	2.4
562.13629	1.0
571.11664	1.2
572.12421	0.7
573.13727	1.3
577.16382	1.3
586.13885	0.7
587.15289	2.4
588.15839	3.1
589.13116	0.5
605.15985	100.0
606.16571	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	603.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01871	20.5
55.05512	68.8
57.03429	3.8
57.07069	4.4
59.04985	2.8
61.02918	2.8
65.03928	5.4
67.05506	85.1
69.03425	8.0
69.07067	66.6
69.07451	3.0
69.84040	4.4
69.84449	9.5
71.04985	7.8
73.06549	2.1
79.05493	71.6
81.03413	7.1
81.07056	81.3
83.04966	11.7
83.08619	37.3
85.02904	4.0
85.06547	7.6
91.05484	73.6
93.07044	69.8
93.07629	3.8
95.04967	21.7
95.08605	61.5
97.06540	28.3
97.10165	45.4
99.08076	3.1
103.05466	3.0
105.07032	69.0
107.04970	12.3
107.08595	60.5
109.06528	13.4
109.10152	31.0
111.08084	10.5
115.05431	3.0
117.07031	30.7
119.08581	59.7
121.06507	7.7
121.10142	29.0
123.04494	2.4
123.08047	8.1
123.11688	6.3
125.09630	31.8
128.06252	3.6
129.07001	16.3
130.07773	2.1
131.07007	2.0
131.08583	35.9
133.06465	5.1
133.10133	47.0
135.08022	8.2
135.11705	12.4
137.06018	4.5
137.09595	9.8
139.11124	5.0
141.07005	7.6
142.07755	4.6
143.08553	19.7
143.10793	2.3
144.09409	2.8
145.06508	6.1
145.10126	36.7
147.08052	5.7
147.11696	26.8
149.09637	19.7
149.13194	4.5
151.11171	6.2
153.09111	2.4
155.08562	9.9
157.10139	16.6
159.08064	4.7
159.11707	27.2
161.09592	4.6
161.13197	12.8
163.07607	2.1
163.11177	11.7
163.14789	3.0
165.09167	3.2
167.08536	4.1
169.10115	13.7
171.10202	3.6
171.11668	13.2
173.09641	6.6
173.11731	7.8
173.13271	14.2
175.11182	4.1
175.14870	4.6
177.12724	6.0
179.14337	3.2
181.10114	4.3
181.12271	4.2
183.11690	12.0
184.07370	2.1
185.09595	4.1
185.13211	10.6
187.11209	2.2
187.14813	6.3
189.11253	23.1
189.12772	3.0
190.85124	2.1
192.09254	2.0
193.12273	3.7
195.11768	5.1
195.13760	1.8
197.13213	10.2
199.11162	2.4
199.14772	4.8
201.12845	2.2
209.13281	3.3
211.13196	3.3
211.14934	4.1
213.16342	2.6
215.14261	2.4
221.13194	2.8
223.13110	3.2
225.16313	2.1
227.17970	4.5
229.19417	4.1
233.15329	3.9
235.17064	2.7
237.16515	3.0
239.17905	5.2
247.16928	2.5
247.20508	3.0
253.19505	2.2
257.19061	11.7
263.20126	3.0
271.16946	2.2
273.18317	2.0
275.20068	100.0
277.21664	6.0
279.19791	1.8
285.22171	4.5
287.20120	2.5
289.21695	5.8
291.19507	19.5
293.21170	16.2
299.20151	4.0
301.21579	5.8
302.17526	11.1
303.23132	3.6
317.20950	2.2
317.24820	2.2
319.22736	8.3
327.23184	4.0
346.20084	5.0
363.26892	2.4
381.27896	11.6
383.29507	3.5
395.29230	4.0
399.28812	11.5
413.30414	5.4
421.31030	2.4
431.18970	3.4
437.30560	3.4
439.32263	4.0
453.33493	2.6
455.31387	5.8
457.33307	2.5
473.32217	10.0
475.33759	2.2
487.34018	4.1
513.37463	2.7
536.86676	2.7
549.39099	7.8
567.40417	25.0
585.41528	19.2
603.42322	6.3
604.34131	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.6
52.97975	3.0
53.03946	5.9
55.05511	26.0
57.07078	11.5
58.17349	2.6
59.25605	3.3
65.03944	5.0
67.05506	34.3
69.03432	18.9
69.07069	29.2
69.91058	13.8
71.05012	4.4
71.08622	5.9
79.05498	39.7
81.07053	49.7
83.04986	20.5
83.08636	16.0
85.06531	7.6
87.04444	10.4
89.06036	13.1
91.05480	58.6
91.06015	5.0
93.07055	74.2
94.07374	3.1
95.04971	26.0
95.08611	43.9
96.05325	3.3
97.06546	13.8
103.05447	3.8
105.07026	100.0
105.12009	3.9
106.07336	3.3
107.04973	5.2
107.08594	78.6
108.08954	5.7
109.06516	19.4
109.10155	39.7
111.08098	5.8
113.09625	6.1
115.05475	3.6
117.07010	22.0
119.08584	99.5
121.06522	13.7
121.10149	95.0
123.08076	12.4
123.11722	10.5
125.09658	17.3
125.10445	3.1
128.06241	16.7
129.07051	18.5
130.07811	11.2
131.08572	45.0
132.09348	3.1
133.06506	7.1
133.08588	7.4
133.10130	65.9
135.08055	18.5
135.11702	25.3
137.09616	11.1
139.11177	9.6
141.06955	8.6
142.07779	20.9
143.08580	45.1
144.09286	9.3
145.10132	73.2
146.10718	3.5
147.08058	10.1
147.11702	22.7
149.09615	24.1
149.13278	7.1
151.07600	7.0
151.11182	3.4
154.07822	4.2
155.08572	20.8
155.10654	7.9
156.09386	18.7
157.10143	67.3
158.10768	7.1
159.08035	17.1
159.11690	42.4
161.09616	14.5
161.13263	11.3
163.11241	12.2
163.14790	5.1
165.06975	8.9
165.09131	13.0
166.07811	4.8
167.08548	9.6
167.10680	71.4
168.09456	7.2
169.10138	25.2
170.10872	9.2
171.11716	40.3
172.08879	3.3
172.12355	4.2
173.09653	8.1
173.13252	27.8
174.10434	3.6
175.11203	12.8
175.14813	16.9
177.12683	3.4
179.08548	11.8
180.09334	5.0
181.10176	16.2
181.12312	5.9
182.10912	10.0
183.11729	31.8
184.12360	2.9
185.09613	4.1
185.13263	22.9
186.13939	4.5
187.11163	4.9
187.14830	13.3
189.12784	10.5
189.16403	3.4
191.14305	5.8
192.09421	4.3
193.10188	11.9
194.10942	12.5
195.11731	23.6
196.12364	7.7
197.13283	24.2
198.13844	3.3
199.11165	7.7
199.14816	18.1
201.12836	3.4
201.16414	2.9
203.14374	7.3
205.10127	3.3
205.15898	4.2
205.27979	2.9
206.10890	8.1
207.11708	14.9
207.13705	4.8
208.12437	6.7
209.13336	31.7
209.15198	6.1
210.14003	6.8
211.14755	15.7
212.15469	3.3
213.12608	5.2
213.16449	6.7
214.28972	3.7
215.14331	9.2
217.10248	3.9
217.15886	7.2
219.17635	3.3
220.12451	4.9
221.13278	15.1
221.15421	30.0
222.13947	4.8
223.14856	15.5
224.15442	6.4
225.12668	4.9
225.16415	8.5
227.14401	8.0
229.15851	3.7
229.44620	2.8
233.13240	6.8
233.15323	36.5
234.16084	4.5
235.14862	12.1
236.15527	6.5
237.16368	7.8
239.14230	5.4
245.13365	3.3
247.14833	10.1
249.16454	6.7
251.18015	8.2
255.17378	5.9
256.17838	3.7
258.13956	3.5
259.14944	4.0
259.20645	3.4
261.16418	9.8
263.17868	3.5
265.19571	6.1
267.17172	3.4
269.18958	9.5
270.19272	4.0
273.18652	5.6
275.17877	7.9
281.19171	6.7
283.20654	4.3
285.18463	8.3
289.19440	4.4
295.20499	8.1
299.20361	6.2
301.21762	3.8
335.23935	3.7
522.21552	3.2
565.40619	8.9
583.41364	14.4
601.42529	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	601.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01866	2.4
55.05508	21.0
55.24011	1.7
57.07073	9.9
59.05002	4.5
65.03934	6.1
67.05504	38.7
69.00459	1.7
69.03421	15.9
69.07063	23.7
71.04987	3.4
75.30287	1.8
79.05495	39.7
81.03432	5.8
81.07059	56.9
83.04983	23.6
83.08607	18.7
85.06541	6.8
87.04459	4.8
91.04893	3.6
91.05476	58.5
93.07043	84.9
94.07412	2.2
95.04968	31.7
95.08603	46.7
97.06524	13.5
97.10146	3.3
98.20655	3.9
99.08070	2.3
103.05456	4.1
105.07030	100.0
106.07368	1.9
107.04938	3.2
107.08594	83.9
109.06515	21.8
109.10156	43.7
111.08092	6.4
111.11775	1.9
113.09629	3.9
115.05463	7.7
116.06253	2.8
117.07031	28.1
119.04980	3.5
119.08580	100.0
120.08912	2.8
121.06543	9.8
121.10143	98.2
122.10480	3.0
123.08069	16.9
123.11704	12.5
125.05992	3.2
125.09642	17.2
128.06227	13.8
129.07013	20.8
130.07770	10.5
131.08568	51.5
133.06509	6.0
133.10133	74.5
135.08055	20.4
135.11662	20.5
137.09631	10.7
137.13217	2.2
139.11238	7.8
141.06932	11.1
142.07796	22.9
143.08554	39.7
144.09328	12.4
145.06528	3.3
145.10129	85.8
146.10588	3.9
147.08054	17.7
147.11687	28.5
149.09599	23.6
149.13284	6.3
151.07562	7.5
151.11194	3.0
153.06985	5.2
153.09097	3.3
154.07787	5.2
155.08557	20.1
155.10675	5.2
156.09355	17.3
157.10124	61.8
158.10831	9.0
159.08061	18.4
159.11694	46.1
161.09657	17.9
161.13284	11.2
163.11174	15.7
165.06993	6.0
165.09128	11.3
165.12726	2.2
166.07851	3.2
167.08592	9.3
167.10670	78.6
168.09352	7.1
169.10110	32.8
170.10873	8.1
171.11690	43.0
172.12314	3.6
173.09586	12.2
173.13280	25.9
175.11259	9.7
175.14810	19.7
177.12747	4.5
179.08536	11.8
180.09344	6.6
181.10139	17.1
181.12257	6.4
182.10881	10.6
183.11713	26.4
184.12541	4.4
185.09598	3.7
185.13249	25.3
187.11209	6.4
187.14786	15.1
189.12762	8.4
191.14325	7.4
192.09326	4.9
193.10101	13.2
194.10936	12.3
195.11696	25.8
196.12479	7.9
197.13283	28.6
198.13890	3.2
199.11163	4.8
199.14809	18.4
199.72707	2.0
201.12750	7.3
201.16397	6.1
203.14339	9.3
205.10114	3.4
205.15833	3.5
206.10918	5.4
207.11708	15.5
207.13594	3.6
208.12408	4.6
209.13246	29.3
209.15166	2.8
210.10413	2.5
210.13945	3.5
211.11198	4.5
211.14787	18.3
212.15427	3.6
213.12758	6.4
213.16444	4.9
215.14355	8.6
217.10254	4.0
217.15970	5.5
219.11690	5.5
220.12445	4.4
221.13242	18.2
221.15401	32.9
222.13931	3.4
223.14816	21.2
225.12761	6.1
225.16469	10.5
227.14297	6.8
227.18095	2.4
231.11629	3.7
231.17439	3.1
233.13235	6.5
233.15326	36.2
234.13806	2.4
234.15919	4.4
235.14803	12.2
235.16895	4.3
236.15509	2.2
237.12703	2.4
237.16394	10.2
239.14340	3.6
239.17911	4.9
241.15865	3.5
245.13281	4.4
245.19029	3.5
246.14005	3.1
247.14807	5.6
249.16437	8.4
251.14540	2.0
251.17833	4.2
253.15889	3.0
253.19576	3.2
255.17386	3.9
257.19061	6.9
259.14737	4.2
260.15805	2.4
261.16461	5.4
263.17908	5.7
265.16043	2.0
265.19492	8.2
267.17242	3.1
269.18951	12.4
273.16089	2.6
273.18594	6.3
275.17694	4.5
275.20349	3.9
277.19513	6.0
279.17383	2.6
281.19064	5.5
283.20575	7.8
285.18604	5.5
287.20123	5.8
289.19400	3.3
291.19751	7.9
295.20450	2.6
303.21121	2.9
305.22687	2.8
309.21863	2.8
311.20203	3.1
315.21188	2.6
347.23642	2.4
349.25607	3.9
361.25021	2.2
367.26416	3.0
375.27048	2.6
377.24643	2.2
393.28040	2.3
401.28494	3.3
456.68265	1.9
491.34933	3.7
509.34747	2.4
565.40112	7.8
583.41431	15.3
600.78461	2.5
601.42285	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	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74986	4.8
55.05500	23.0
57.07065	13.9
67.05505	39.9
68.30423	5.1
69.03421	14.9
69.07077	32.8
69.84872	6.0
71.03574	14.1
79.05510	37.2
81.07062	48.9
83.04974	21.8
83.08614	19.6
87.04443	6.3
91.05474	51.2
93.07041	83.3
95.04964	23.5
95.08613	53.2
97.06505	11.6
100.38917	5.7
103.05499	5.4
103.92577	6.2
105.07030	92.1
107.04921	6.4
107.08592	85.2
109.06503	15.8
109.10143	28.3
111.08060	8.3
113.09642	8.7
117.07009	20.7
119.08572	100.0
120.08884	6.2
121.06496	19.4
121.10145	68.7
123.08041	16.2
123.11737	9.2
125.09639	17.3
127.34853	6.0
128.06157	12.6
129.07001	14.4
131.08589	55.4
133.10121	67.0
135.08037	20.5
135.11676	22.2
137.09578	10.2
139.11215	8.3
142.07761	24.1
143.08580	45.7
144.09048	6.0
145.10129	74.5
147.08051	15.8
147.11684	24.9
149.09596	23.0
151.07617	4.9
151.86446	5.2
153.07129	5.3
155.08517	15.8
155.10622	5.7
156.09322	18.4
157.10147	48.1
159.08084	16.8
159.11678	40.4
161.09641	12.6
161.13290	7.1
163.11180	13.7
165.09106	15.7
166.07800	5.9
167.08580	13.3
167.10684	57.8
168.09163	6.7
169.10127	25.2
170.10844	6.0
171.11722	37.2
172.12219	6.3
173.09712	6.7
173.13242	20.6
175.11098	5.8
179.08466	7.0
181.10123	21.1
181.12181	12.0
182.10893	9.1
183.11688	28.9
185.13220	17.5
187.11137	6.3
187.14764	8.1
193.10172	14.4
194.10866	10.2
195.11644	26.1
196.12422	10.7
197.13254	27.3
199.14845	14.6
201.16489	8.3
203.14339	13.2
207.11687	17.4
207.13707	7.0
208.12404	7.0
209.13254	23.2
211.14790	18.8
213.12608	6.5
221.13202	14.5
221.15402	37.4
223.14839	17.3
225.12840	6.0
225.16371	12.6
233.13289	7.0
233.15414	26.9
235.14828	11.6
237.16428	7.0
247.14709	10.2
263.65073	6.1
269.19055	14.5
277.19519	9.0
283.20517	8.4
307.20520	7.9
341.30606	5.8
367.26166	6.9
472.97897	5.8
565.40503	11.1
583.41248	14.7
601.42639	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	40.4
81.07069	34.7
84.74493	28.7
91.05502	43.9
93.07034	71.9
95.08614	30.4
96.20953	25.2
105.07005	84.2
107.08560	40.4
109.06539	26.8
119.08569	74.8
121.10158	59.4
123.08054	26.3
128.49191	27.4
131.08481	36.8
133.10133	41.3
145.10077	64.4
157.10147	52.7
159.11732	29.7
165.09096	51.6
169.10091	32.1
171.11705	28.7
195.11757	42.1
221.15305	100.0
254.60416	28.0
531.14056	27.8
601.42303	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95428	12.4
55.05505	39.8
56.54493	13.2
57.07058	19.6
59.24445	13.6
60.15442	15.9
60.35881	14.2
67.05490	55.5
69.07050	52.9
71.51381	25.0
79.05477	48.2
81.07069	78.8
83.04974	27.3
83.08604	22.8
89.05964	16.4
91.05466	54.7
93.07061	100.0
95.04972	33.1
95.08594	32.5
105.07019	90.9
107.04931	24.4
107.08597	63.3
109.06445	20.5
109.10141	38.5
111.04546	14.7
117.07008	22.5
119.08570	85.0
120.98458	13.7
121.06515	20.0
121.10173	69.8
123.08048	22.9
129.07033	20.0
131.08589	47.8
133.10120	73.2
135.08035	31.9
137.09636	18.0
143.08536	47.5
145.10143	74.1
147.08023	26.5
147.11702	23.5
149.09627	34.1
156.09396	21.4
157.10112	44.3
159.08040	32.6
159.11678	34.4
161.09494	19.1
163.11143	19.6
165.09146	32.2
167.10651	23.0
169.10120	18.2
171.11707	35.9
173.13242	24.7
175.11253	13.8
181.10168	21.9
183.11743	23.7
195.11812	18.7
202.45535	15.0
209.13295	27.5
211.14868	20.3
221.15367	58.1
233.13182	14.2
233.15370	27.7
235.14560	15.8
275.20041	36.1
291.19534	37.2
529.62427	15.2
548.28546	14.1
583.40698	22.9
601.42383	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.9
57.07075	18.6
67.05502	20.9
69.03436	13.3
69.07058	10.4
79.05494	19.6
81.07066	26.8
83.08622	8.3
89.06004	15.2
91.05473	24.6
93.07054	42.0
95.04953	11.6
95.08610	24.9
105.07042	55.0
107.08589	18.5
109.10164	13.1
111.40076	8.7
112.15549	9.7
117.07076	16.5
119.08587	36.9
121.10141	24.5
123.08058	26.3
129.06964	13.1
129.45525	9.3
131.08519	14.3
133.10100	20.6
134.47853	8.8
135.08012	13.7
142.07825	12.1
143.08636	23.5
144.18401	8.6
145.10147	34.1
147.08044	23.1
147.11649	10.1
151.07570	12.0
157.10156	26.0
159.11679	19.5
165.09105	64.8
169.10181	8.4
171.11684	19.8
185.13179	9.5
187.14595	10.0
203.14398	29.8
221.15318	100.0
221.17023	9.4
222.15764	10.2
224.13138	8.5
251.17702	9.5
405.11041	8.6
491.35281	13.4
521.35986	19.5
583.40747	10.6
601.42316	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01865	1.1
55.05504	3.4
56.05022	0.5
57.03425	0.6
57.07058	0.6
57.98798	0.3
58.99574	1.3
61.01133	0.4
65.03925	0.7
67.04221	0.3
67.05507	11.4
69.03423	0.6
69.07070	4.0
69.87497	1.1
69.87903	0.7
70.06577	0.4
71.04977	0.5
71.73907	0.3
73.01130	0.3
74.00665	2.6
76.02226	1.5
76.04004	0.3
79.05057	0.6
79.05494	8.7
80.05012	1.5
81.03402	0.5
81.05769	0.3
81.07056	7.8
82.06570	0.4
83.04988	0.8
83.06103	1.4
83.08609	1.3
84.04039	0.5
84.04503	5.4
85.01121	0.8
85.06520	0.3
86.00650	1.5
86.99078	0.5
88.02209	1.0
91.05482	6.4
93.07047	10.9
94.06550	1.1
95.04954	1.8
95.08606	6.1
97.01115	1.3
97.06512	1.1
97.10162	1.2
98.00645	0.4
99.01412	0.9
99.05582	0.7
100.02198	1.3
105.07040	6.2
106.06540	0.8
107.04945	1.0
107.06057	0.4
107.08598	7.2
108.08092	0.4
109.02907	0.5
109.06511	0.8
109.10153	4.0
111.02639	0.5
111.11752	0.3
112.02192	4.5
113.00578	1.3
113.04258	0.4
114.00126	0.5
114.03743	3.5
116.01672	3.3
117.07019	1.8
118.46511	0.3
119.08587	5.0
120.08108	0.5
121.06533	0.9
121.10130	3.5
123.02640	0.5
123.08077	0.6
125.04239	0.7
125.09679	0.5
126.03713	1.5
129.06572	1.4
130.05006	1.5
131.08578	2.4
133.10138	4.0
134.09615	0.4
135.08052	1.0
135.11708	2.6
136.04028	0.7
137.05988	0.4
137.09622	1.0
138.03723	0.9
139.03235	0.4
139.05765	0.4
139.11200	1.5
140.05301	2.0
142.03169	0.5
143.02748	0.4
143.08543	1.0
144.01152	1.0
145.06108	0.5
145.10117	1.8
147.11653	2.4
148.11186	0.5
149.09616	1.2
150.12798	0.3
151.11131	0.4
152.05312	0.6
155.08562	0.5
157.10136	0.9
159.11722	1.2
161.04160	0.4
162.02217	1.3
162.12814	0.9
163.05710	0.4
163.11208	0.8
166.06880	0.4
167.10701	0.4
168.08389	2.3
169.04350	0.3
169.10080	0.5
171.11658	0.4
173.13310	0.7
174.55814	0.4
177.07269	0.4
177.12703	0.4
179.04893	1.2
179.08887	0.5
181.06033	0.5
183.11772	0.5
185.03810	1.5
187.05383	0.6
187.11226	0.5
191.08948	0.4
191.14377	0.3
196.11563	3.8
199.07072	0.4
202.04108	0.3
203.12755	1.4
208.11559	0.5
209.15398	0.3
215.04843	2.0
216.00755	0.3
216.05705	2.0
216.10559	0.4
224.11041	14.2
231.04344	3.3
233.05925	1.1
237.09636	0.4
239.17972	0.4
241.06381	0.4
241.11304	0.6
242.12096	24.4
243.12411	0.4
252.10571	0.4
254.12067	0.6
255.08057	0.5
257.19058	0.4
264.14206	0.8
269.10803	0.4
270.10272	0.8
275.06985	0.6
275.20029	4.1
275.22736	0.4
282.15262	4.3
289.16196	0.5
292.22760	0.7
293.21158	1.1
299.14313	0.5
299.20148	0.4
304.23016	0.4
307.17371	0.5
308.09055	1.2
315.17917	0.5
323.20209	0.5
324.20099	0.7
332.20523	0.8
333.18774	2.2
343.13431	0.4
344.13989	5.8
345.14734	0.5
350.17111	0.5
350.21497	9.9
351.19751	1.0
368.22546	8.4
378.21439	0.3
384.17133	1.7
407.23871	0.4
434.23166	0.4
435.23221	0.4
453.24185	100.0
454.24429	2.8
488.22681	0.4
507.25192	0.4
525.26337	5.1
537.26837	0.4
582.28448	1.2
583.26929	0.5
600.20789	0.4
600.29565	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46600	12.3
59.95070	13.8
67.05502	30.8
69.80404	12.2
69.89916	82.0
78.20245	14.6
79.05494	29.9
83.04978	19.1
89.06021	14.2
91.05479	20.4
93.07030	55.8
95.08592	39.4
96.36742	13.5
97.06524	18.8
97.35875	13.2
103.05483	14.6
105.07018	63.3
107.08578	33.2
108.52632	14.3
109.06539	13.5
109.10144	26.9
117.07027	27.0
119.08604	78.6
121.06452	16.7
121.10152	31.0
123.08080	44.2
128.06248	19.7
131.08539	41.4
133.10124	33.8
137.09589	19.3
142.07787	15.8
143.08582	48.0
145.06566	22.0
145.10109	57.0
147.08063	18.1
155.08559	22.1
157.10132	60.4
159.08067	21.3
159.11708	41.8
160.08826	100.0
161.13242	17.5
165.09081	34.5
171.11742	34.5
173.09645	19.2
181.12285	25.3
183.11679	30.5
193.12360	18.9
195.11668	35.2
197.13283	29.0
203.77179	18.3
209.13283	22.5
221.15317	84.7
226.69223	13.3
234.16072	16.9
286.19257	35.9
287.20050	16.5
300.20972	17.6
325.21622	16.3
352.23932	45.4
409.46933	17.7
440.29221	45.2
520.35364	25.3
600.40771	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01871	1.2
55.05511	3.8
56.05036	0.5
57.03435	0.5
57.07079	0.4
57.98796	0.8
58.99586	15.8
64.64827	0.3
65.03950	0.4
67.05166	0.6
67.05507	7.1
69.03418	0.9
69.07069	4.7
70.64732	0.7
70.65123	0.7
71.04986	0.6
73.01147	0.5
76.02228	70.4
76.03995	2.6
78.03801	0.4
79.05489	5.3
80.05014	0.5
81.03436	0.5
81.06577	0.6
81.07055	10.7
82.10472	0.3
83.04982	2.5
83.06108	1.6
83.08617	2.3
84.04504	12.1
85.02908	0.9
86.99051	2.9
88.02227	1.6
91.05479	5.3
93.07049	8.5
95.04964	2.4
95.08605	7.4
95.22708	0.3
96.04569	0.3
97.01128	0.4
97.06519	1.7
97.10167	1.2
99.05589	0.9
100.02236	0.5
102.05519	0.5
105.07027	7.4
107.04984	2.5
107.08593	5.3
109.06519	3.8
109.10158	3.2
111.08083	0.6
114.03758	0.7
116.01681	19.5
117.07004	2.1
119.08578	5.5
120.08127	0.4
121.06485	3.2
121.10152	3.3
123.08074	2.4
123.11710	1.2
124.02205	0.5
125.09647	0.7
129.06691	1.5
130.05008	5.3
131.08563	5.7
133.06500	1.3
133.10135	6.2
135.08046	1.8
135.11700	2.0
137.09610	1.0
141.04826	1.1
142.03229	7.3
143.08575	1.2
144.01144	12.5
145.06233	0.7
145.10127	4.1
147.08057	1.3
147.11688	4.1
149.09650	2.0
149.13284	1.3
151.11185	1.7
155.08527	0.6
157.10168	1.3
159.08093	1.0
159.11668	2.8
161.09613	1.7
161.13251	1.0
162.02200	37.5
163.11183	1.6
163.14810	0.4
164.35194	0.3
165.12898	0.4
169.10106	0.4
170.02705	2.6
171.11673	0.8
173.09636	1.2
173.13223	1.7
175.11195	1.3
175.14772	0.8
177.12762	0.4
179.04854	100.0
180.05206	0.4
183.11707	0.7
185.13315	0.5
187.05386	2.7
187.11220	1.1
187.14790	0.5
189.12701	0.4
191.14316	1.0
193.12070	0.4
197.13332	0.7
199.05397	0.5
199.14940	0.5
201.12814	1.0
203.14473	0.4
205.15746	0.5
205.19641	0.4
207.13806	2.4
213.16188	0.7
215.04793	1.9
215.17960	0.7
216.03271	0.5
219.13837	1.0
227.04877	0.8
229.19537	0.8
233.05913	11.1
234.70833	0.4
239.17982	0.9
245.05930	3.3
247.20619	1.2
257.19003	3.4
273.18500	3.8
275.20065	27.2
276.20343	0.5
290.08047	0.8
291.06488	2.4
291.19659	2.2
293.18271	0.2
293.21097	18.9
308.09113	30.3
333.19009	0.5
350.21469	0.6
351.19611	0.7
368.22574	9.0
378.20938	0.8
453.24146	5.1
453.30093	0.4
471.25220	2.5
507.25488	0.5
525.26196	3.4
582.28235	0.8
600.29517	13.2
601.29584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
51.21199	1.0
53.03930	2.6
53.19225	1.0
55.01855	2.6
55.05512	8.9
57.03416	1.6
57.07061	3.6
59.04997	3.1
67.05506	13.1
69.03427	8.3
69.07066	12.8
69.29955	10.5
71.04978	1.3
79.05489	13.5
80.06246	1.1
81.03442	1.0
81.07056	21.0
83.04977	4.0
83.08616	4.7
85.06541	2.4
91.05479	20.0
93.07041	40.8
95.04975	11.3
95.08607	20.8
97.06538	6.0
99.80626	1.2
103.05479	1.5
105.07027	32.6
107.04964	2.8
107.08588	25.1
109.06508	4.7
109.10152	10.8
111.08091	1.6
111.11731	2.4
113.09612	1.3
115.05463	2.1
116.06260	1.3
117.07021	6.0
119.08578	31.3
121.06523	6.1
121.10141	52.7
123.08062	12.1
123.11699	4.6
125.06020	1.7
125.09636	4.1
128.06213	4.1
129.06989	6.0
130.07835	3.3
131.08551	14.3
133.03546	1.0
133.06496	2.5
133.10127	21.9
135.08043	7.4
135.11699	8.0
137.09650	4.1
139.11166	3.0
141.07002	2.8
142.07768	6.4
143.08568	16.3
144.09364	2.0
145.10117	24.9
147.08044	10.0
147.11697	8.5
149.09610	16.3
151.07521	16.9
151.11154	1.5
153.09093	1.2
155.08530	5.6
156.09328	5.9
157.10139	19.7
158.07297	1.7
158.10886	2.0
159.08022	6.8
159.11694	15.0
161.09630	7.8
161.13347	5.4
162.03688	1.1
163.11172	5.3
165.06960	2.4
165.09120	7.7
166.07732	1.4
167.08485	2.7
167.10674	85.8
168.09381	2.7
169.10086	8.8
170.10930	3.4
171.11673	14.3
173.09622	4.9
173.13243	10.0
175.11229	3.7
175.14792	6.4
177.09175	2.7
177.12778	2.1
179.08568	4.6
179.10582	1.2
180.09392	1.6
181.10159	7.0
181.12241	4.7
182.10963	3.4
183.11705	9.6
185.09604	3.7
185.13269	8.0
186.10457	1.8
187.11205	5.1
187.14760	6.0
189.12761	8.2
191.10570	1.6
191.14359	4.0
192.09386	2.5
193.10155	5.1
193.15918	1.2
194.10953	4.0
195.11719	7.7
195.13657	1.4
196.12518	1.9
197.09592	1.7
197.13274	9.7
199.11176	3.4
199.14825	6.0
201.12668	2.5
201.16357	2.0
203.14421	5.6
205.15898	2.0
206.10938	1.8
207.11719	8.1
207.13857	6.1
208.12514	3.7
209.13268	8.9
209.15381	3.6
211.11206	2.3
211.14853	4.5
213.12813	3.2
213.16302	2.8
215.14326	4.7
215.82883	1.2
217.10078	1.2
217.15984	1.9
219.11746	2.4
219.17352	1.3
220.12482	2.4
221.13283	7.2
221.15408	20.4
222.14082	1.2
223.11142	1.9
223.14886	5.5
225.12706	3.2
225.16454	2.4
227.14360	2.3
231.11754	1.8
231.13797	1.6
232.12415	2.0
233.13225	4.0
233.15337	26.1
234.14136	1.8
235.14819	4.9
237.12778	2.5
237.16441	2.8
239.14348	1.7
239.17943	2.1
241.15916	1.9
243.11816	1.5
245.13330	2.7
246.13953	2.2
247.14861	2.9
247.17097	2.4
248.15732	1.8
249.12764	2.0
249.16458	3.2
251.14307	2.5
251.18056	2.0
255.17447	1.1
257.13116	1.4
257.19080	2.0
258.14096	1.3
259.14868	3.8
259.20737	1.2
261.16431	1.8
263.17908	2.1
265.15912	2.4
265.19617	2.4
269.19159	1.6
271.20609	1.6
272.15482	1.6
273.16040	1.7
273.18661	2.9
275.17838	1.7
277.19443	1.7
285.16229	1.6
287.20190	3.8
299.20142	4.9
303.20172	1.3
307.20538	1.3
311.20087	2.2
312.21255	1.2
313.21951	1.9
315.19656	1.3
328.29147	1.2
349.25473	2.0
365.24652	2.9
373.25543	2.1
377.24716	3.4
391.26306	3.6
393.24234	2.7
399.26514	1.6
419.29453	1.7
431.29297	1.9
525.33514	1.6
553.40570	2.1
563.38446	3.1
571.41370	2.6
581.39948	25.5
599.40912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36049	2.1
53.03954	2.5
55.05508	6.6
57.07074	7.4
61.02940	2.6
67.05502	15.4
69.03419	4.8
69.07063	10.7
69.29993	20.8
69.30404	3.4
79.05489	15.2
79.12452	2.3
81.03431	2.4
81.07061	18.6
83.04990	6.6
83.08607	6.3
87.04492	3.0
91.05493	15.9
93.07050	24.9
95.04983	12.8
95.08608	15.6
97.06536	7.5
98.20740	4.4
105.07024	32.2
107.08589	23.7
108.86988	2.1
109.06512	11.7
109.10162	11.1
111.08125	3.2
115.05430	2.5
117.07037	6.9
119.08570	27.1
121.06507	7.4
121.10150	29.3
123.08086	12.9
123.11709	3.9
125.09634	5.4
128.06258	3.6
129.07027	8.1
130.07825	3.0
131.08575	18.5
133.06516	3.8
133.10132	19.7
135.08070	12.0
135.11713	7.5
137.05978	2.9
137.09618	6.1
139.07535	2.4
141.06982	5.2
142.07811	10.2
143.08559	18.4
144.09421	5.3
145.10130	20.7
147.08029	13.1
147.11685	8.6
149.09618	13.3
151.07579	8.6
151.11174	2.2
153.09163	2.1
155.08566	6.2
156.09378	7.6
157.10118	25.3
159.08104	9.7
159.11722	11.6
160.03114	2.1
161.09653	7.1
161.13263	5.4
163.11205	8.4
165.07027	3.8
165.09143	17.3
167.08571	4.4
167.09186	2.3
167.10651	26.1
168.09357	4.1
169.10164	12.8
170.10974	3.1
171.11714	18.7
171.48253	2.1
173.09660	6.2
173.13339	8.5
175.11176	4.7
175.14891	3.3
179.08641	4.9
181.10190	6.0
181.12303	5.9
182.10956	4.0
183.11649	15.9
185.09700	3.7
185.13284	9.0
187.11243	5.3
187.14911	3.1
189.12781	8.4
191.14323	3.3
193.10202	6.6
194.10982	3.6
195.11758	8.5
195.13820	2.3
196.12463	3.1
197.13322	12.2
199.11185	4.8
199.14905	5.8
201.12788	2.5
203.14386	7.5
207.11749	7.9
207.13867	6.6
209.13310	9.3
209.15266	3.2
210.13918	2.2
211.14848	3.9
213.12802	3.3
215.14534	2.6
217.10083	2.1
220.12648	3.2
221.13312	6.1
221.15439	24.0
223.14864	5.2
225.12788	5.3
225.16486	3.0
233.13271	5.6
233.15446	26.1
235.11345	2.6
235.14813	4.8
235.16995	2.5
237.12784	3.6
237.16441	3.2
239.14171	2.2
245.13249	3.9
247.14784	3.4
247.17064	3.7
249.16417	2.7
251.14471	2.5
251.18069	2.9
259.14679	3.6
269.18985	2.5
281.19061	6.4
299.20099	4.3
312.20932	3.5
391.26236	4.2
463.17517	2.4
489.33615	3.6
507.34738	50.1
538.14862	2.8
581.39557	10.7
599.40948	100.0
600.41138	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	599.4096
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03939	2.1
55.01879	1.8
55.05515	7.8
57.07067	5.0
59.04994	4.0
66.11752	1.5
67.05517	12.1
69.03424	7.7
69.07069	16.7
69.96642	8.8
79.05497	15.3
81.07059	16.0
83.04976	5.1
83.08607	4.9
85.06544	2.9
91.05479	22.5
93.07041	40.8
95.04970	10.6
95.08603	20.9
97.06522	7.1
97.10172	1.6
101.17916	1.4
103.05494	2.5
104.28445	1.7
105.07035	36.7
107.04952	2.4
107.07943	2.7
107.08588	24.5
109.06504	6.6
109.10167	11.7
111.08074	2.2
111.11705	2.3
113.09642	1.6
115.05446	1.8
115.39869	1.4
117.06991	8.7
118.44157	1.6
119.04986	2.6
119.08591	33.5
121.06530	5.0
121.10146	62.2
123.08063	11.5
123.11680	6.1
125.09646	3.3
128.06236	4.6
129.06995	6.5
131.08542	15.8
133.06496	2.0
133.10126	20.2
135.08052	5.3
135.11682	7.5
137.09628	3.3
139.11182	4.2
141.06963	4.0
142.07791	8.3
143.08559	14.3
144.09341	3.5
145.10112	27.4
147.07988	8.8
147.11656	8.0
149.09619	12.4
151.07532	12.1
153.06950	1.5
155.08566	6.8
156.09375	7.4
156.85356	1.7
157.10152	20.2
158.10934	2.2
159.08031	5.3
159.11667	13.9
161.09598	5.1
161.13290	3.0
163.11163	5.8
165.06995	1.9
165.09103	8.6
167.08481	4.3
167.10683	91.4
168.09372	3.1
169.10158	13.3
170.10883	3.7
171.11678	15.6
173.09636	5.9
173.13246	7.9
174.10388	1.6
175.11284	2.5
175.14816	6.8
179.08511	4.4
181.10138	7.8
181.12184	6.0
182.11020	2.5
182.13972	1.4
183.11711	10.1
185.09612	2.8
185.13341	7.7
185.14711	1.7
187.11163	3.7
187.14783	6.2
189.12735	6.6
191.14261	4.0
193.10146	5.4
194.11005	3.1
195.11749	9.0
196.12553	3.0
197.09628	1.6
197.13239	10.7
199.14801	4.4
201.12778	3.2
201.16341	4.5
203.14333	5.1
205.10132	1.7
206.10936	2.3
207.11699	7.3
207.13780	4.9
208.12529	4.0
209.13245	10.6
209.15219	2.9
211.11107	2.5
211.14830	5.4
213.16339	2.0
215.14243	5.0
217.15808	2.8
220.12422	1.7
221.13246	6.6
221.15390	21.4
223.14845	5.2
225.12788	3.7
225.16293	4.1
227.14299	2.2
231.11734	3.1
232.12515	1.8
233.13303	2.6
233.15364	30.5
234.14148	1.8
235.14812	3.2
237.16405	1.8
239.17924	2.3
241.15822	2.0
244.12527	1.7
245.13174	2.4
246.13994	2.1
247.14787	2.9
247.16959	1.7
249.10947	2.3
249.16359	2.7
251.14343	2.0
251.17834	2.8
259.14795	2.6
261.16452	3.3
263.14407	2.0
263.17969	2.6
277.19525	2.1
281.19086	1.7
286.19373	2.2
291.17340	2.6
293.18906	2.4
299.20212	3.0
311.20010	7.0
323.20013	2.0
354.59280	1.6
363.23138	1.6
365.24704	4.9
377.24777	3.3
391.26260	4.6
393.24319	3.5
419.29352	2.0
425.28766	1.7
506.77145	1.8
563.38965	2.2
581.39874	21.3
599.41412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01872	3.6
55.05502	6.7
57.07071	6.9
59.04995	2.8
67.05510	15.0
69.03439	6.7
69.07072	9.0
69.60316	7.4
69.60752	8.0
79.05495	13.0
79.16380	2.3
81.03454	2.8
81.07056	17.6
83.04981	4.5
83.08638	5.0
84.91190	3.3
85.06555	6.4
91.05470	23.7
93.07046	30.5
95.04981	11.5
95.08607	20.4
97.06550	5.7
98.20712	1.9
103.05469	2.6
104.10735	1.9
105.07040	31.8
107.04964	6.7
107.08582	22.6
109.06538	9.7
109.10168	9.3
117.07045	7.9
119.08579	37.5
121.06504	6.7
121.10155	24.7
123.08089	12.7
123.11751	3.8
125.05981	5.1
128.06232	2.3
129.06992	6.8
130.07811	3.7
131.08577	16.0
133.06514	3.9
133.10138	21.7
135.08064	14.2
135.11703	6.5
137.09576	13.1
141.07007	2.7
142.07857	6.1
143.08566	14.6
144.09401	2.4
145.10133	24.7
147.08044	29.3
147.11717	5.6
149.09631	9.5
151.06546	2.0
151.07553	11.3
155.08586	6.0
156.09383	6.6
157.10130	18.9
159.08092	6.2
159.11705	13.1
161.09621	10.3
161.13277	7.0
163.11192	12.2
165.09129	53.7
167.10663	10.3
169.10168	10.1
170.10905	2.8
171.11726	14.1
173.09631	4.7
173.13301	5.1
175.11183	3.6
175.14807	2.8
177.09119	3.2
179.08586	3.6
181.10213	4.5
181.12227	9.6
182.10895	3.8
183.11687	13.1
184.07420	2.3
185.13263	6.2
187.11250	4.1
189.12816	6.2
191.10725	3.9
193.10187	3.5
194.10901	3.2
195.11742	7.1
196.12459	3.6
197.09743	2.6
197.13260	3.9
199.11259	4.4
203.14270	15.9
207.11873	4.8
207.13844	8.4
208.12384	2.6
209.13300	8.3
211.14824	7.0
215.14331	3.0
219.11603	2.8
221.15361	100.0
223.14928	4.9
225.12819	2.5
233.15358	13.8
235.14894	2.3
247.16942	17.5
248.65834	2.1
251.14207	2.3
273.18530	5.1
281.19098	3.4
287.20078	8.1
291.19629	4.2
293.83481	2.2
299.20224	8.1
303.20139	5.7
313.21689	3.1
327.23431	3.7
340.07065	6.5
365.24725	3.3
373.25247	2.9
377.24466	2.4
391.26437	8.5
417.34158	2.3
419.29395	2.3
427.28488	4.4
507.34900	10.6
514.91388	2.4
532.73584	2.7
563.37201	2.4
581.39990	7.8
599.16058	9.5
599.24976	5.6
599.40979	87.6
600.40967	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.2
60.04523	2.5
61.02924	1.6
67.05503	3.0
69.03423	1.3
69.07051	1.6
70.06604	1.2
70.77880	1.2
70.78236	3.1
79.05492	1.9
81.03393	3.3
81.07042	3.4
85.02889	1.3
85.06565	1.1
86.09705	100.0
86.39288	1.1
91.05476	2.3
93.07041	3.1
95.04976	1.9
95.08605	1.7
97.02921	1.6
97.06539	2.1
98.09718	10.3
99.05570	2.7
105.07037	1.9
109.02868	1.8
109.10108	1.3
111.05661	1.1
115.05008	1.1
117.06661	1.7
119.08582	1.7
119.50629	1.1
122.06055	1.8
127.03992	2.3
127.05035	7.9
130.55197	1.1
136.90857	1.0
137.05962	2.4
139.05014	4.6
143.11792	18.9
145.06044	6.6
147.04393	2.1
149.13310	1.1
154.15877	5.5
155.11787	2.3
156.07709	2.5
157.05975	1.5
167.11790	3.2
171.11290	9.7
183.11281	3.1
184.07213	9.5
185.12877	5.1
195.11287	4.7
199.18086	2.3
201.09872	1.3
202.08191	3.9
211.18044	19.7
212.13942	2.0
213.12364	5.3
218.26749	1.0
222.12526	1.2
224.13947	2.2
228.13463	2.9
239.17542	8.2
240.13499	2.2
241.09404	2.0
252.13486	8.9
258.14392	2.6
259.10150	1.5
269.16049	5.2
270.14496	6.8
275.07050	4.4
276.07330	2.1
279.14526	1.7
287.17154	2.2
296.19690	2.2
297.15543	3.7
309.15741	1.2
314.17862	1.3
315.16696	3.0
326.18118	2.2
327.16498	1.5
332.19510	1.4
337.22302	1.6
354.17590	2.4
355.23392	3.4
372.18674	1.7
382.24438	1.9
383.22794	5.6
400.25565	2.0
410.24008	2.5
426.30496	1.3
428.25250	2.1
440.24997	1.4
450.24463	1.2
454.29828	1.5
457.27493	4.9
467.26193	11.1
478.29776	1.2
485.27298	10.1
496.31168	4.4
552.35101	2.9
553.33600	3.8
562.33643	6.0
570.36121	20.8
580.34576	29.2
598.27386	1.4
598.35730	13.5
599.24988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
53.95216	1.0
55.01878	3.1
55.05519	9.5
57.03441	4.6
61.02929	3.2
67.05509	18.6
69.03425	2.8
69.07072	11.0
71.05016	2.2
71.59239	1.0
73.02923	1.2
79.05491	17.1
79.05906	1.4
81.03443	4.6
81.07062	31.4
83.04991	2.4
83.08624	6.5
85.02904	5.9
85.06560	1.3
91.03970	1.4
91.05489	17.7
93.07052	14.5
95.04967	8.5
95.08607	8.5
97.02898	2.5
97.06535	2.8
97.10181	5.8
99.04486	1.4
105.07027	13.0
107.04965	8.7
107.08590	8.9
109.02885	0.8
109.06548	4.2
109.10174	6.7
111.04433	1.6
111.08089	2.5
115.05435	1.6
117.07035	9.3
119.04960	1.7
119.08583	19.9
121.06567	4.9
121.10146	9.0
123.08084	9.9
125.09656	5.4
128.06213	1.4
129.01003	1.0
129.07005	6.8
131.08568	12.3
133.06500	2.9
133.10110	5.3
135.08051	4.8
135.11708	3.9
137.05948	1.3
137.09653	2.5
143.08606	5.8
145.00517	1.2
145.10133	11.7
147.08041	10.7
147.11678	3.4
149.09616	6.2
153.09097	1.3
157.10161	4.8
159.08057	1.6
159.11661	4.1
161.09641	6.3
161.13303	0.9
163.11186	5.7
163.21625	1.0
169.10165	1.3
171.10286	1.5
171.11728	3.5
173.09666	2.4
175.11209	2.1
175.14856	1.4
177.09178	1.1
185.09581	1.5
185.13301	3.1
187.11255	1.2
189.11259	1.7
189.12796	1.2
195.11711	1.2
197.07359	2.3
199.11235	2.1
213.12744	0.9
217.37500	1.0
223.13316	3.3
227.18086	1.5
229.14253	1.4
231.13889	1.1
245.19066	2.8
249.14964	2.4
255.17543	1.8
273.13977	1.1
273.18500	24.3
274.19012	1.1
291.19559	57.9
309.16190	5.2
311.18561	1.1
316.30090	0.9
327.17285	2.3
347.22250	4.7
365.23282	25.2
383.19839	24.6
401.20908	100.0
498.85580	0.9
533.00568	1.0
563.26349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3035
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03916	1.1
55.05515	11.8
57.03443	6.1
57.07066	2.1
65.03927	0.8
67.05506	24.9
69.03428	1.1
69.07069	13.9
71.04980	1.1
71.08656	0.9
71.58530	1.3
72.51163	0.7
74.26669	0.7
79.05492	8.3
81.03421	4.2
81.07061	26.3
83.08624	6.4
83.24068	0.9
85.06525	0.9
91.05484	6.1
93.07041	11.2
95.05004	1.9
95.08058	1.3
95.08611	18.1
97.06522	2.6
97.10140	3.9
98.98470	10.2
102.54986	0.9
105.07059	4.4
107.08614	4.8
109.02893	3.7
109.06538	0.7
109.10155	9.3
111.08090	1.5
111.11737	1.2
111.43050	0.8
113.09638	1.0
115.05386	0.8
119.08562	4.9
119.81053	0.9
121.10150	5.1
123.11711	3.4
125.09685	0.8
130.74577	0.7
131.08595	1.4
133.10081	4.3
135.11688	2.2
137.09634	1.3
137.13268	1.4
143.08589	1.0
145.10136	1.0
147.08041	1.2
147.11684	2.1
149.09613	1.1
151.07620	0.8
155.01042	3.0
157.10126	1.1
159.11694	1.0
161.13257	2.2
167.10625	1.1
171.11710	1.0
173.13254	0.9
175.14853	1.7
184.07384	3.4
205.18466	0.8
261.03693	2.6
263.23685	1.5
301.20151	5.6
317.06390	1.0
319.21234	1.6
335.07339	1.7
337.27371	100.0
342.22879	1.2
385.21555	0.9
476.12372	0.9
537.29132	1.6
579.38037	1.4
596.84552	0.9
597.39258	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	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.05519	11.0
57.03436	5.2
65.03934	1.6
67.05508	34.0
69.07079	9.7
69.68454	11.4
75.04482	2.3
77.22477	1.6
79.05078	1.7
79.05498	24.2
81.03426	8.0
81.07055	36.3
83.08614	5.5
86.43390	1.5
87.84290	1.6
91.05478	17.3
93.07047	34.8
95.04963	3.9
95.08611	28.3
97.06541	2.4
97.10146	2.6
97.66523	1.6
98.98473	37.9
105.07042	10.9
107.08598	16.4
109.02859	5.0
109.10178	13.1
111.08134	1.8
116.99500	2.8
117.07037	4.9
119.08557	10.1
121.10165	12.7
123.11681	3.6
127.03920	2.0
131.08543	6.0
133.10143	9.1
135.11700	11.3
137.13246	2.8
145.10109	5.0
147.11644	5.8
149.13214	5.1
151.11176	1.8
155.01054	18.8
159.11700	4.1
161.13225	4.2
163.14825	4.4
165.99556	1.8
173.02097	3.6
173.13277	3.8
175.14832	1.7
184.07256	2.5
187.14796	2.8
203.42932	1.6
240.43471	1.8
243.21066	7.3
261.03726	5.6
261.22134	18.2
290.08987	2.2
317.06342	5.5
317.15668	2.4
317.24750	6.2
335.07254	4.8
335.25797	100.0
336.26166	2.1
398.63821	1.7
405.76773	1.7
415.22446	2.8
535.13220	6.6
579.17029	4.7
595.11078	2.5
595.20209	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.5
55.05265	3.4
55.05515	52.0
57.03437	20.9
57.07070	2.6
59.04988	6.6
61.02926	8.7
67.05508	100.0
69.03426	6.6
69.07073	16.5
69.34442	21.7
71.01355	2.6
71.05000	4.8
71.22094	2.2
73.02915	5.5
75.95403	2.2
79.05496	25.9
79.77209	2.2
81.03410	14.2
81.07064	35.6
82.86781	2.3
83.04989	16.2
83.08627	21.8
84.96176	2.6
85.02913	26.6
85.06536	5.2
87.04470	10.6
88.32696	2.3
91.03948	2.4
91.05495	20.0
93.07022	15.5
95.04980	8.0
95.08610	16.3
97.02886	10.7
97.06533	5.7
97.10176	34.1
103.03951	12.1
105.07022	6.7
107.04964	7.9
107.08608	21.2
109.06533	3.8
109.10164	82.3
111.04448	5.2
111.08094	4.6
116.29523	2.6
117.06984	5.0
119.08572	8.9
121.10134	8.5
123.08092	2.7
125.09650	45.6
131.01331	2.2
131.08603	2.8
133.10103	2.7
135.11665	6.9
136.68198	2.7
137.05974	3.8
137.09618	6.0
143.10693	10.6
145.05025	2.4
145.10129	9.6
149.09636	3.9
153.12790	12.9
155.10681	9.5
163.11177	18.6
167.07098	3.5
173.11739	45.6
181.12257	9.1
189.11229	3.8
191.10728	7.2
199.13307	11.2
209.11746	16.1
217.14444	6.3
227.12772	17.5
229.14372	75.2
229.16563	4.7
240.36441	2.4
245.13914	4.1
257.13867	27.0
283.15485	19.5
301.16489	46.6
319.17587	15.7
399.23917	4.7
399.28827	3.4
401.46640	2.6
403.30777	2.6
463.21548	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40580	0.2
53.03939	0.8
55.05498	0.5
57.03424	0.3
61.02917	0.7
67.05503	0.7
69.03429	1.8
71.04984	0.5
71.59071	0.3
73.02934	0.3
78.08327	0.3
79.05478	0.6
81.03419	2.3
81.07039	0.7
83.04947	0.2
83.08619	0.2
85.02905	4.0
91.03992	0.3
91.05477	0.6
93.07017	0.6
95.04905	0.3
95.08594	0.6
97.02894	2.6
97.06548	0.6
99.04459	2.7
103.03952	3.0
107.04907	0.3
107.08588	0.8
109.02893	2.2
119.08557	0.3
121.02850	0.3
121.08633	0.2
121.10166	0.4
127.03915	5.7
130.36250	0.2
131.04895	0.3
133.06474	0.6
137.05988	1.3
145.02863	0.7
145.04961	2.1
147.04375	0.4
161.06003	0.5
162.06577	0.2
163.06100	0.4
163.07545	0.7
166.08673	0.4
167.04912	0.4
167.07048	0.8
177.05490	1.5
184.07347	0.4
187.06033	0.9
193.08583	0.7
198.89742	0.2
205.10092	0.5
215.08594	1.7
233.07463	0.4
233.09627	5.0
242.07248	0.4
243.08104	3.3
261.09045	0.8
271.07571	4.5
289.08597	100.0
290.08868	1.4
302.17621	0.3
328.19550	0.3
335.71793	0.3
413.98196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.05516	9.6
57.03435	4.2
58.96314	1.1
65.03928	1.2
67.05509	33.2
69.07077	7.5
69.43417	11.8
71.04996	1.9
78.81336	1.2
79.05499	17.7
80.37980	1.3
81.03412	4.1
81.07060	29.9
83.08619	3.7
85.02919	2.2
91.05453	9.3
93.07053	21.3
95.04951	2.9
95.08611	22.5
95.09164	2.2
97.06527	1.4
98.98464	12.1
105.07034	7.7
107.08622	8.1
109.02892	5.2
109.06454	1.3
109.10143	9.9
117.07053	3.1
119.08577	6.1
120.09641	1.4
121.10136	7.0
123.11728	2.4
131.08583	2.9
133.10123	4.5
135.11732	3.0
145.10130	2.5
147.11711	3.5
149.13237	3.0
155.01056	3.1
161.13254	2.7
169.94078	1.2
173.13304	1.5
176.51216	1.4
249.35809	1.3
259.07617	3.5
259.20581	1.6
261.03796	4.4
261.22263	2.5
303.06775	1.5
335.25821	100.0
595.20593	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	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93410	1.2
50.93660	1.4
52.34106	1.2
55.05500	6.5
57.03450	6.6
67.05502	28.7
69.07069	8.2
70.30492	6.1
71.05000	2.0
79.05497	18.6
81.03413	4.2
81.07059	27.8
83.08634	2.8
83.41049	1.5
85.02877	1.5
90.41368	1.2
91.05472	11.6
93.07047	20.4
95.04950	4.2
95.08616	21.7
97.02872	1.6
97.06551	1.7
97.10201	1.9
98.98461	15.1
100.41147	1.5
105.07029	7.2
107.08594	10.6
109.02876	3.1
109.10173	8.3
119.08578	5.3
121.10146	6.8
123.11716	2.6
125.09694	1.8
130.02611	1.4
131.08603	4.2
133.10118	4.7
135.11719	3.0
147.11624	3.1
149.13252	2.7
155.01021	3.5
159.11736	1.4
167.14171	1.6
173.13293	2.0
243.13589	1.6
261.03723	4.1
261.22107	3.6
335.25784	100.0
393.96472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03946	0.2
55.01876	0.1
55.05515	0.2
57.03439	1.6
59.04966	0.1
61.02922	0.6
64.11818	0.1
65.03934	0.1
66.01551	0.1
68.99494	0.1
68.99780	0.3
69.03428	1.2
70.56977	0.2
71.01356	0.1
71.04990	10.0
73.02923	0.3
75.04475	0.6
81.03408	0.5
83.04972	0.5
85.02903	13.4
86.03210	0.1
87.04485	0.3
91.03956	0.2
91.05508	0.1
95.04984	0.1
97.02885	1.3
99.04461	0.3
99.17169	0.1
103.03944	0.1
105.03385	0.2
107.04963	0.2
107.07976	0.1
109.02888	0.6
111.00794	0.5
111.04443	0.5
121.02866	1.7
125.09553	0.1
127.03904	1.0
129.05472	3.3
129.19745	0.1
133.02832	0.3
135.04443	0.1
137.02338	0.5
145.04968	0.8
145.06505	0.1
147.04459	0.3
147.06512	0.9
153.00574	0.1
153.01819	2.1
157.06485	0.2
161.06013	0.1
165.01828	1.3
183.02895	0.6
185.05959	0.3
197.05959	0.1
203.03490	0.1
203.06990	0.1
213.05467	0.8
231.06421	0.4
241.04918	0.6
243.06465	0.1
246.59663	0.1
258.05228	0.6
259.06091	0.3
269.04495	0.1
286.04630	0.1
287.05487	100.0
288.05798	1.9
289.06033	0.1
299.05765	0.1
329.06583	0.1
331.07660	0.1
349.08936	0.1
353.06686	0.1
374.06427	0.1
402.66110	0.1
449.10767	0.7
595.16418	1.1
595.26147	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03946	0.3
57.03429	1.3
61.02923	0.6
69.03429	2.0
70.06636	0.4
71.04993	9.7
71.14308	0.9
73.02892	0.4
81.03414	1.5
85.02905	14.1
88.48055	0.3
89.33732	0.3
95.04999	0.4
97.02885	2.1
99.04445	1.0
103.03920	1.0
103.05466	0.3
105.07037	0.4
107.04954	0.6
109.02892	1.1
111.04470	0.7
121.02879	2.4
127.03924	2.9
128.04265	0.6
129.05492	3.6
137.02359	0.4
137.05962	0.5
145.04958	1.1
147.04372	0.8
147.06555	1.2
153.01859	2.4
157.06467	0.4
165.01802	1.4
181.05003	0.6
183.02873	0.5
185.05956	0.5
196.32063	0.3
203.07060	0.9
213.05527	0.9
234.94733	0.4
241.04884	0.8
258.05304	0.8
283.76953	0.4
287.05499	100.0
288.05801	3.8
289.06058	3.8
449.10651	0.8
595.15875	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
53.03929	0.6
55.01831	0.4
57.03448	1.5
57.59964	0.2
61.02908	0.8
67.05491	0.4
68.99786	0.4
69.03432	1.8
70.06576	0.5
70.19619	0.8
70.20031	0.5
71.04996	9.4
73.02898	0.6
75.04449	0.6
81.03409	1.3
82.14412	0.2
82.96985	0.3
83.04934	0.6
85.02905	15.5
86.03194	0.6
86.09704	0.3
87.04435	0.5
91.03938	0.5
91.05470	2.6
92.05777	0.8
97.02901	2.1
97.06522	0.3
99.04435	1.1
103.03936	2.2
104.04242	0.6
107.04909	0.6
109.02886	1.6
111.00758	0.6
111.04395	0.3
119.08525	0.3
121.02864	1.5
127.03915	4.0
128.04225	0.9
129.05475	3.5
129.06941	0.4
135.04361	0.3
137.02325	0.4
137.05925	1.2
145.04959	2.5
146.05231	0.3
147.04381	1.1
147.06483	1.1
149.05901	0.3
150.55768	0.3
153.01775	1.9
163.06050	2.2
164.06264	0.5
165.01804	0.9
167.03236	0.4
176.65625	0.3
180.35803	0.3
181.04977	0.5
183.02875	0.8
191.03589	0.2
213.05466	1.0
231.06471	0.5
236.16310	0.3
241.04898	0.5
258.05237	0.3
259.05975	0.5
271.08142	0.3
287.05493	100.0
288.05811	0.7
289.09219	0.3
299.05588	0.3
307.10254	0.6
308.10580	0.5
329.06470	0.6
331.07794	0.8
398.15491	0.3
449.10736	1.0
595.06793	0.5
595.16333	11.0
595.27228	0.6
595.29810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03424	0.4
55.01862	0.9
55.05510	0.5
56.05032	0.9
67.04221	0.4
67.05509	0.9
69.03428	0.7
70.02946	4.2
71.10317	0.5
71.10641	0.8
72.08213	0.4
72.28616	0.3
74.00654	0.5
74.02448	0.6
75.71663	0.4
76.03996	1.8
79.05484	1.0
80.05020	0.8
81.03403	0.9
81.07059	2.1
82.06563	1.8
83.06098	1.2
84.04502	8.7
85.02888	1.7
85.04025	2.1
85.06487	0.4
86.06051	0.5
86.61471	0.3
88.03955	0.8
91.05463	0.5
92.01708	0.6
93.07046	1.1
95.04955	0.5
95.08580	1.1
96.04476	0.4
97.02866	0.8
99.04546	0.4
99.05572	10.1
105.07013	0.8
107.06071	6.9
107.08569	0.6
108.04465	1.7
109.02902	0.6
109.06487	0.6
109.07641	13.1
109.10132	0.7
110.06048	0.9
112.03950	1.0
113.03498	0.6
114.00137	0.6
116.03442	0.5
119.08578	1.0
121.10128	0.6
123.11713	0.4
125.07068	0.6
127.03941	0.5
127.04993	1.1
129.06615	1.3
130.04994	4.7
131.04544	1.3
133.10109	0.9
135.05525	1.4
135.11691	0.6
136.03920	1.7
137.05930	0.6
145.04921	0.8
145.06075	15.4
147.04434	0.5
153.06589	19.6
154.04996	0.5
155.04532	0.7
155.08141	11.4
160.00630	1.6
161.13243	0.6
169.06058	0.6
177.03287	3.9
177.04765	0.4
177.05438	0.6
181.06067	3.4
184.69614	0.5
185.03856	0.6
189.16327	1.6
198.11275	0.8
199.07137	26.8
202.07756	0.8
203.08617	0.6
211.07111	1.0
212.99339	0.4
217.15875	0.4
227.08443	0.4
231.08064	2.8
232.08817	0.5
233.09718	0.6
235.05742	1.0
235.16904	1.6
239.06691	0.5
242.07321	2.3
243.08002	1.3
245.04082	0.6
245.09523	0.8
247.07593	1.8
253.19604	0.5
255.08002	2.5
256.09280	1.7
257.05927	1.2
258.06796	5.9
259.07523	9.6
260.08163	0.8
263.05246	11.3
270.06729	3.5
271.07550	2.4
273.03714	2.5
273.09155	1.3
274.04456	1.4
274.10294	2.0
275.05154	2.6
279.04623	0.5
283.07504	7.7
284.08319	1.4
286.06226	3.8
287.06982	1.9
289.08954	5.2
291.04730	38.1
292.04935	0.9
293.06351	0.7
301.08594	12.0
302.08289	0.6
303.04749	5.9
310.08630	0.7
317.06290	3.1
319.04224	16.0
320.04837	0.6
321.05780	100.0
322.06119	2.5
328.09735	2.2
344.07339	4.3
345.05713	2.0
362.08453	10.7
373.05261	0.7
390.07861	5.4
420.11765	0.7
447.10104	5.2
448.08307	2.1
465.11166	33.4
466.11523	1.0
519.12231	8.2
531.12109	0.9
576.14294	0.5
594.15253	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
53.59673	2.7
54.24373	2.9
55.01876	7.7
55.05516	21.9
57.03429	8.0
57.07080	14.3
61.02927	3.7
65.03928	2.9
67.05509	45.9
69.03427	23.1
69.07072	49.3
71.04977	6.6
71.08630	6.5
71.59214	4.3
73.02919	3.0
73.30898	3.3
79.05498	28.2
81.03413	22.0
81.07063	100.0
83.04968	5.2
83.08630	27.3
85.02907	45.7
85.06534	7.0
85.10202	3.1
87.00840	18.2
89.18577	3.1
91.05427	17.0
93.07051	48.5
94.06599	2.8
95.04971	12.3
95.08611	82.5
97.02892	20.5
97.06527	7.2
97.10175	14.6
98.67474	2.6
99.04451	9.0
99.08138	4.2
103.05495	2.8
105.01892	12.9
105.07042	27.8
107.04951	3.9
107.08604	42.0
109.02889	19.1
109.06503	7.2
109.10157	56.2
110.09656	3.8
111.11720	9.0
117.03389	3.9
117.07047	3.0
119.08578	20.0
121.10143	35.6
122.05990	3.3
123.04407	3.1
123.08067	3.7
123.11703	31.2
127.03918	35.6
129.07037	3.5
131.08594	6.0
133.10138	23.8
135.08025	3.7
135.11719	23.2
137.05986	8.9
137.09601	5.6
137.13255	15.4
145.02863	9.5
145.04930	8.1
145.10133	5.1
147.08145	3.3
147.11685	15.4
149.13266	38.0
151.11171	3.1
151.14867	5.7
153.01872	5.6
159.02766	2.8
159.11674	5.6
161.13309	10.1
163.14809	19.3
165.12743	6.9
165.16417	5.3
166.08682	3.5
173.13321	3.6
175.14894	7.3
176.07224	2.9
177.05508	17.7
177.16420	8.2
184.07349	3.0
189.16423	6.6
191.17992	7.5
198.23395	2.7
203.17831	3.6
217.19577	6.5
224.09735	2.8
231.05014	5.4
246.15759	3.0
269.17542	4.7
273.25757	31.8
275.20200	4.3
279.26889	12.4
282.73608	3.4
291.26840	37.4
309.27841	31.1
327.28973	3.7
341.27109	3.1
355.07114	4.5
407.63632	4.7
460.27228	5.2
575.22528	3.6
575.34650	5.1
593.35876	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	593.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
53.38004	0.9
55.01865	4.1
55.05509	14.9
57.03430	3.8
57.07074	7.9
59.05000	2.6
61.02914	3.6
61.30518	0.9
65.03936	1.3
67.05505	24.5
67.87814	0.8
68.99768	1.1
69.03428	16.8
69.07069	53.1
70.06592	2.6
71.04996	5.2
71.08639	4.2
73.02920	1.9
73.06538	2.6
79.05496	12.9
81.03416	12.5
81.07058	100.0
83.04967	2.4
83.08620	20.6
85.02905	26.0
85.06545	11.8
87.00828	11.1
91.03979	1.0
91.05441	7.3
93.07045	30.7
95.04962	3.3
95.08607	80.4
97.02898	9.5
97.06529	9.6
97.10173	7.0
99.04465	5.0
99.08075	5.8
105.01874	8.1
105.07039	9.6
107.07861	1.9
107.08592	33.6
109.02884	11.3
109.06520	2.4
109.10154	33.4
111.08079	20.8
111.11728	13.6
112.07619	1.8
113.09687	1.5
115.03988	1.0
115.07583	2.3
117.06995	1.4
119.04937	3.4
119.08573	7.4
121.10143	20.4
123.11709	37.9
125.09649	2.0
125.13232	4.7
127.03915	17.1
127.11216	5.4
129.06976	1.1
131.08588	3.1
133.10112	4.6
135.11687	19.3
137.06003	1.0
137.13258	30.6
139.11215	3.3
140.07068	1.2
143.08582	1.4
143.14340	1.0
145.04987	3.8
145.10184	1.5
147.04404	14.0
147.11713	6.5
149.13255	34.2
151.14816	3.1
153.12747	24.4
155.14297	9.6
157.10155	2.0
159.02919	2.2
159.11670	2.3
161.13264	3.2
163.14810	9.3
164.07112	1.0
165.12727	2.3
165.16370	1.5
167.14323	8.1
171.03020	1.1
171.13763	4.9
173.13261	1.3
173.15375	3.8
175.11128	1.4
175.14847	1.4
177.05489	1.1
177.16409	3.8
185.15450	2.0
189.04059	1.0
189.16422	1.3
191.17926	2.6
193.12283	3.2
203.17958	1.5
205.19617	1.0
213.03934	2.7
217.19530	2.8
221.19022	1.3
221.22600	1.1
225.14769	1.7
229.79947	0.9
231.04977	3.4
235.20619	1.0
239.20068	2.6
239.23637	4.6
249.05942	1.0
253.19482	2.3
271.20554	2.5
273.25809	4.2
275.07236	1.0
279.26822	13.1
291.26810	27.2
297.27762	6.5
309.27881	47.2
315.28867	4.3
327.28918	12.4
345.29974	11.2
401.10287	1.0
417.30112	2.2
419.11298	1.6
491.08902	1.2
513.34088	1.5
521.31146	1.8
539.32025	3.5
593.32770	1.5
593.44403	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	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.45273	0.5
70.84119	1.5
116.53278	0.4
137.38228	0.4
204.20171	0.5
379.73895	0.5
389.17645	1.1
390.18436	0.6
402.18564	0.8
403.19263	2.4
404.19980	1.3
405.20895	1.5
409.90921	0.5
416.20236	0.9
417.21487	3.2
418.21707	2.3
419.22583	2.7
430.17722	0.9
431.18335	9.6
432.18570	2.4
433.24289	6.5
434.24670	2.1
445.20087	9.8
446.20706	5.4
447.21722	6.5
448.22235	1.1
449.23532	1.0
459.21646	4.4
460.22565	17.1
461.23318	14.9
462.24042	1.3
463.20853	0.7
473.23605	3.0
474.24121	1.1
476.25800	1.3
477.22772	1.5
487.24902	1.3
489.26712	0.9
491.25391	0.7
492.25140	2.5
493.26285	0.5
505.22043	8.6
506.23138	0.8
517.26184	0.6
518.23364	1.4
519.24292	1.7
533.25519	43.6
534.25879	4.8
564.23859	1.6
565.28082	1.6
593.27576	100.0
594.27905	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	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98964	0.7
71.02187	2.0
81.07073	1.0
89.84025	0.7
93.73576	0.6
95.08672	0.8
109.10175	1.0
243.51866	0.8
371.14212	0.8
389.17392	0.9
403.19312	2.7
405.20810	1.3
417.16196	1.1
417.20789	2.6
418.21756	1.8
419.22375	3.1
422.21881	0.7
431.18253	6.1
432.18927	1.8
433.24268	5.7
434.24747	1.8
436.20691	0.8
445.19846	8.1
446.20529	4.3
447.21698	4.1
459.21912	3.0
460.22537	12.6
461.23425	11.7
462.23923	0.7
473.23450	2.6
476.25842	1.0
487.24905	2.2
492.25363	1.3
493.25961	0.9
505.21912	4.3
533.25549	45.7
534.25690	2.8
593.27618	100.0
594.27679	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	593.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.05506	0.4
57.87593	0.2
67.05511	1.0
69.82790	0.9
69.83209	0.5
71.39434	0.2
79.05490	0.5
81.03442	0.2
81.07049	0.5
87.71190	0.2
91.05477	5.4
91.06009	0.4
93.07043	0.6
95.08620	0.3
98.99592	0.2
105.07024	0.4
107.08561	0.5
115.05487	0.3
117.07019	0.5
119.08584	0.4
131.08566	0.2
135.11736	0.3
143.95955	0.2
145.10144	0.3
145.74484	0.2
147.11681	0.2
168.05722	0.5
169.06548	0.4
184.05228	0.3
185.06039	0.8
196.05225	0.3
197.06027	1.1
199.03816	0.3
199.07645	0.3
203.08578	0.4
211.07597	0.3
212.04694	0.5
213.05473	0.9
214.06247	1.0
227.07056	0.7
227.12628	0.2
228.08005	0.2
229.08578	0.5
231.08095	1.0
233.09737	0.2
242.07187	0.5
243.08034	1.4
244.09030	0.2
245.09625	0.9
246.10559	0.4
255.08064	0.3
257.09720	0.5
258.06711	1.9
259.07556	10.6
260.08328	1.7
261.09177	0.8
262.09811	0.3
271.07437	1.4
272.08392	0.3
273.09183	0.9
274.10004	0.3
275.10730	0.2
277.08615	0.3
286.06259	1.7
287.07037	2.3
289.08588	6.9
291.10162	0.8
299.18747	0.4
306.12592	2.5
317.19611	1.4
331.11142	0.3
335.20755	0.7
340.21152	0.5
343.60269	0.2
344.12027	0.8
345.12717	0.5
355.11420	0.5
361.11755	0.3
367.11118	0.4
369.12595	0.3
371.10648	0.6
372.11429	1.9
373.12170	1.7
382.10028	0.4
383.11032	1.1
384.11511	0.9
385.12387	0.8
387.13788	0.8
389.11749	0.4
390.12576	0.4
395.10562	0.4
396.11707	0.2
397.12268	1.5
399.09775	0.4
400.10953	3.0
401.11679	1.6
403.09479	0.4
405.14929	0.5
408.11493	0.3
409.12424	0.4
411.09787	1.2
412.11057	0.4
413.07071	0.3
413.12369	1.9
414.12247	1.0
415.13318	4.9
417.11343	0.6
418.11942	0.3
419.10864	0.3
420.11807	0.3
425.11688	1.2
426.12589	0.7
427.09103	1.7
428.10477	2.3
429.11264	2.4
430.11972	0.2
433.14560	0.9
436.11221	0.3
437.11761	1.2
439.09390	0.4
441.11237	1.2
442.11945	1.9
443.12790	6.2
444.13162	0.4
445.10669	0.5
446.11252	0.4
448.11032	0.4
451.09555	0.3
452.10150	0.3
453.11050	1.0
454.11975	1.1
455.13870	1.1
456.09784	0.5
457.10587	1.1
461.13861	3.8
464.10583	0.6
465.11111	1.2
466.11951	0.8
469.10413	0.4
470.11591	0.6
471.12326	7.5
472.13052	1.6
473.10153	0.4
481.10574	0.8
482.11337	0.9
483.12299	2.1
487.11993	1.0
489.13379	4.7
497.14172	0.9
499.11774	1.2
500.13077	0.3
501.13376	0.5
503.17120	0.3
513.15356	0.2
515.15118	4.6
531.15906	0.7
541.14331	0.3
543.16016	0.6
559.15808	1.0
560.16199	0.4
561.16974	5.3
575.18372	0.6
577.16498	7.9
578.17322	1.4
593.19604	100.0
594.19849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1498
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.03945	1.1
55.01871	0.5
55.05496	0.3
57.03423	0.7
58.73449	0.2
60.04507	0.3
61.02911	0.9
67.05497	0.4
68.99783	0.3
69.03078	0.3
69.03429	4.8
70.06587	0.2
71.04987	1.2
71.58238	0.3
73.02916	1.4
81.03418	5.6
81.07079	0.3
83.04984	0.4
84.04527	0.2
85.02905	12.6
86.09719	0.3
87.04458	0.4
91.03939	0.2
91.05839	0.3
93.06977	0.2
95.04955	0.4
95.08598	0.2
97.02889	8.0
99.04453	8.3
103.03941	8.9
105.03352	0.3
105.07037	0.3
109.02885	5.1
109.06528	0.2
111.00786	0.4
111.04417	0.2
115.03935	0.4
117.07015	0.2
119.04982	0.3
119.08591	0.4
121.02865	2.3
121.21295	0.2
127.03917	18.3
133.02823	0.5
133.10155	0.3
137.02335	0.5
137.05925	0.6
145.04962	8.1
145.06201	0.3
147.04411	0.9
151.03871	0.2
152.18102	0.2
153.01836	3.1
157.06535	0.3
157.10089	0.2
161.05981	0.2
163.03886	0.2
163.06027	1.8
163.11192	0.2
165.01828	1.3
169.04990	0.4
171.04439	0.2
177.05482	0.4
183.02885	0.8
185.05972	0.3
187.06003	2.1
189.05429	0.2
203.07082	0.2
205.07066	0.4
210.96809	0.2
213.05441	1.2
231.06549	0.5
233.11720	0.2
233.15450	0.2
241.04977	0.6
253.07233	0.3
258.05209	0.9
259.05945	0.4
271.08179	1.2
287.05493	100.0
288.05823	1.7
299.05676	0.4
311.05481	0.5
325.06854	0.3
329.06570	2.4
353.06573	0.5
355.07050	0.3
395.07574	0.5
401.10602	0.3
413.08676	0.3
419.10971	0.5
431.09845	0.4
560.12500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.56503	0.1
55.01859	0.3
55.05495	0.2
57.03419	0.6
61.02909	0.6
63.10164	0.1
64.13755	0.2
67.05481	0.1
68.99798	0.5
69.03427	4.5
70.06590	0.2
70.19041	0.3
70.19456	0.6
71.01337	0.2
71.04987	1.2
73.02908	1.4
79.05487	0.3
81.03415	5.7
83.01356	0.2
83.04979	0.4
83.05671	0.1
84.08135	1.0
85.02903	12.3
87.04450	0.2
87.92735	0.1
91.03944	0.2
91.65007	0.2
97.02892	8.4
97.06516	0.3
99.04453	8.5
101.02456	0.2
103.03939	9.0
105.03384	0.2
107.04958	0.3
107.08588	0.2
109.02122	0.3
109.02873	6.3
111.00774	0.5
111.04443	0.4
115.03907	0.4
119.04861	0.2
119.08590	0.2
121.02869	2.4
127.03913	19.0
128.04250	0.1
133.02866	0.4
133.06543	0.2
137.02310	0.9
137.06000	0.3
145.04953	7.3
145.10187	0.2
147.04414	0.8
151.03899	0.2
153.01830	3.0
157.06514	0.2
163.03877	0.3
163.06004	1.3
163.73198	0.2
165.01822	1.5
169.05034	0.3
171.04430	0.4
177.05496	0.3
183.02890	0.7
185.05957	0.3
187.06012	2.1
193.32265	0.2
199.05891	0.3
205.07083	0.3
213.05481	1.3
231.06512	0.6
241.04945	1.0
253.06915	0.2
258.05206	0.9
259.06024	0.4
264.33878	0.2
269.04446	0.2
271.08038	1.2
286.04532	0.2
287.05490	100.0
288.05835	1.7
289.09061	0.2
291.23386	0.2
299.05624	0.3
303.05075	0.2
307.10336	0.2
311.05426	0.5
327.26559	0.2
329.06512	1.9
345.27371	0.4
353.06464	0.5
386.16171	0.2
395.07617	0.5
419.11011	0.3
593.16589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.3
55.05527	0.2
56.85172	0.2
67.05511	1.0
69.07052	0.3
71.58615	0.2
79.05495	0.9
81.03419	0.3
81.07056	0.8
91.05469	5.9
93.07052	0.7
95.01969	0.3
95.04965	0.5
95.08607	0.3
103.89828	0.2
105.07056	0.5
107.04981	0.4
107.08617	0.4
107.46918	0.2
109.06531	0.3
109.10129	0.4
117.06998	0.5
122.35249	0.3
130.37428	0.2
145.10126	0.3
157.06491	0.3
168.05669	0.7
169.06407	0.4
184.05244	0.4
185.05995	0.7
196.05331	0.4
197.05911	1.1
199.03896	0.4
199.07611	0.3
202.07852	0.7
212.04762	0.5
213.05540	1.0
214.06357	0.7
215.08617	0.3
216.44643	0.3
227.07147	0.8
228.07819	0.3
229.08641	0.7
231.08104	1.1
233.09677	0.4
243.08101	1.4
245.09766	1.0
246.10513	0.4
247.07668	0.3
257.09366	0.3
258.06796	2.1
259.07553	11.1
260.08340	2.0
261.09189	0.6
262.10120	0.5
271.07574	1.5
273.09094	1.3
274.09952	0.5
277.08679	0.3
277.12173	0.3
286.06213	2.1
287.07037	3.0
289.08603	7.6
291.10175	0.6
299.18665	0.7
306.12451	2.9
317.19485	1.3
335.20786	1.0
340.21115	0.6
344.12091	0.9
345.12717	0.7
347.10864	0.3
355.11307	0.7
357.09180	0.3
357.13232	0.3
369.12973	0.6
371.10733	0.8
372.11395	1.5
373.12228	1.6
373.16428	0.2
375.09982	0.3
382.10205	0.6
383.10638	1.2
384.11557	1.0
385.12195	0.7
387.13928	0.8
389.11966	0.6
390.12589	0.3
395.10715	0.4
397.12396	1.7
399.10260	0.6
400.10974	3.6
400.15796	0.3
401.11865	1.9
405.14880	0.3
409.12399	0.4
411.09985	1.6
412.10870	0.5
413.11804	2.1
414.12619	1.0
415.13361	4.8
417.11102	0.5
419.10980	0.3
423.10217	0.3
424.11237	0.3
425.11880	1.0
426.12564	0.7
427.09167	1.9
428.10437	2.7
429.11200	2.7
430.12088	0.3
433.14786	1.3
437.11624	1.2
439.09442	0.3
440.09753	0.3
441.11411	0.6
442.12122	2.2
443.12784	7.0
444.13721	0.6
445.10904	0.7
448.10858	0.4
451.09866	0.5
453.11111	1.2
454.12195	1.0
455.13715	1.2
456.09830	0.3
457.10825	1.1
461.13931	4.3
464.10629	0.6
465.11157	1.5
466.12045	0.5
467.13107	0.4
470.11163	0.5
471.12326	7.7
472.13220	1.8
473.10675	0.3
481.10901	0.7
482.11508	0.7
483.12335	2.2
487.11969	0.9
489.13358	5.2
490.14404	0.3
497.14413	1.0
499.11874	1.6
500.12643	0.4
502.13339	0.3
503.16724	0.4
514.15033	0.3
515.15051	4.3
531.15674	0.5
543.16199	0.7
551.16754	0.3
559.15424	1.2
560.16187	0.3
561.16980	5.0
575.18518	0.6
577.16492	8.5
578.17346	1.4
593.19617	100.0
594.19958	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	591.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01865	12.9
55.05504	26.3
57.03439	7.9
57.72090	2.9
65.03950	5.6
67.05511	46.8
69.07055	14.9
70.73759	6.0
71.04987	6.1
77.95695	2.6
78.78348	3.7
79.05499	50.8
80.88462	2.8
81.03414	13.6
81.07057	77.6
83.04974	16.5
83.08605	15.1
85.02888	7.4
91.05476	31.0
93.07051	58.9
95.04984	28.3
95.08064	3.5
95.08614	44.0
97.06522	15.0
97.10159	13.9
99.04449	4.9
99.08070	3.3
100.47914	3.1
105.04552	4.3
105.07045	33.3
107.04964	16.6
107.08600	45.4
109.06509	12.2
109.10139	12.0
111.04484	17.6
111.08083	8.3
115.05509	4.0
117.07015	20.3
119.08593	30.6
121.06484	14.5
121.10123	14.3
121.67529	3.2
123.08081	18.3
125.09603	13.0
129.07024	6.8
131.04890	5.7
131.08601	12.9
133.06480	5.5
133.10092	7.4
135.08046	9.4
135.11697	45.7
137.05962	11.9
137.09608	6.2
139.07538	3.7
143.08540	6.3
145.06410	4.9
145.10152	41.3
147.11658	7.2
149.09616	9.3
153.12732	8.3
159.11685	6.2
161.09639	7.1
163.11198	68.1
165.09157	4.4
171.11543	4.9
175.11143	4.8
179.06963	3.3
179.10620	3.4
181.12225	13.6
189.11197	12.7
191.10664	5.0
209.11693	5.2
223.13295	5.6
227.12775	100.0
227.16203	4.0
231.08049	7.2
258.06845	3.6
259.07553	15.7
273.18500	23.5
275.20023	5.4
283.15369	39.6
289.08588	14.6
289.13828	3.7
291.19577	62.5
309.20636	5.6
347.22125	8.9
365.23254	31.4
481.57864	3.4
555.33142	4.1
559.35614	4.1
573.34180	43.3
591.14447	20.9
591.35101	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	593.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01857	0.3
57.03432	1.0
61.02932	2.9
64.69698	0.2
65.03923	0.3
67.05502	0.4
68.99809	0.4
69.03433	3.4
69.07066	0.3
70.06582	0.4
71.04988	0.6
71.56777	0.3
73.02927	1.4
79.05503	0.5
81.03413	4.3
81.07071	0.6
83.04987	0.7
85.02906	11.2
91.03432	0.4
91.03944	2.0
91.05436	0.4
93.07039	0.4
95.04944	0.7
95.08583	0.5
97.02893	4.0
97.06529	0.6
97.58455	0.3
99.04456	4.7
101.02390	0.5
103.03938	3.6
105.07029	0.4
107.04958	0.7
109.02891	2.9
109.10138	0.5
111.00819	0.7
111.04439	0.3
113.03503	0.4
115.03924	0.4
119.04944	0.7
119.08553	0.5
120.08054	0.3
121.02863	2.6
127.03919	9.0
129.07062	0.3
133.02876	0.4
133.10088	0.3
135.04417	0.3
137.02348	0.9
137.05972	0.6
145.02919	0.6
145.04962	4.4
145.10101	0.5
147.04419	2.2
148.04820	0.3
151.03938	0.3
153.01845	3.6
157.06438	0.4
161.05956	0.6
163.03885	0.5
163.06026	1.0
165.01891	1.8
167.07037	0.3
177.05473	1.0
183.02937	1.0
185.06076	0.3
187.05989	3.1
198.18584	0.6
205.05385	0.3
205.07048	1.3
213.05417	1.3
231.06503	0.7
241.04961	0.6
258.05237	0.9
259.06155	0.3
271.08133	0.8
286.04660	0.3
287.05515	100.0
288.05951	1.9
289.09186	0.6
299.05609	0.4
311.05688	0.4
324.26852	0.3
329.06686	1.3
346.75461	0.3
353.06534	0.6
379.03134	0.3
395.07678	0.8
419.11188	0.7
483.47839	0.3
593.24011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44685	0.6
55.01846	0.5
55.05494	2.0
58.82289	0.6
66.38853	0.6
67.05510	3.3
69.03448	0.6
69.07069	1.2
69.84105	3.7
73.60831	0.5
79.05482	2.7
80.68729	0.5
81.07030	2.7
83.08614	0.9
91.05466	1.8
93.07039	2.4
95.04975	0.9
95.08602	1.5
97.10143	1.3
98.20741	0.7
105.07016	1.6
107.04960	1.5
107.08578	1.7
109.10141	1.3
117.06993	0.7
119.08589	1.2
124.68864	0.6
131.08548	0.8
133.10110	1.4
137.05974	1.3
137.41753	0.6
145.10083	0.8
147.11722	1.0
149.09633	0.8
149.25008	0.7
157.10162	1.1
180.40416	0.6
184.07323	0.9
202.07761	4.6
203.08606	4.7
227.12607	1.0
231.08061	10.0
241.06462	1.0
242.07260	2.0
245.06145	0.8
247.07568	0.9
255.08174	0.8
258.06781	9.8
259.07547	100.0
260.07834	1.0
269.06052	1.5
271.07632	0.9
273.18582	0.8
274.26276	0.8
275.06952	1.5
275.20111	0.8
283.15387	1.0
287.06949	4.2
297.05518	5.4
303.06470	2.0
315.06482	7.3
316.07343	1.0
333.07550	2.0
408.11679	1.2
440.12061	0.9
442.13892	0.8
453.12952	0.9
455.14130	1.1
471.13718	2.5
473.15186	1.6
484.14801	3.7
489.14679	2.2
499.12991	1.7
500.14117	4.7
501.14902	22.5
511.12830	0.9
517.14227	4.0
519.15900	1.7
527.12439	1.4
529.14105	3.0
531.12158	3.7
531.22180	0.8
545.13989	3.1
547.15424	56.9
548.15698	0.9
559.12036	0.7
573.13385	5.9
573.34039	1.1
591.13654	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	591.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01875	4.5
55.05513	18.2
57.03434	4.4
57.07069	12.2
61.02919	4.3
67.05507	28.7
69.03434	21.7
69.07067	63.6
70.06547	2.5
71.04992	6.0
71.08636	3.7
71.58431	2.5
71.58825	3.2
73.02914	4.1
73.06589	2.7
79.05490	18.1
81.03426	14.9
81.07059	100.0
83.04974	8.6
83.08630	12.5
85.02908	28.8
85.06553	24.1
86.24431	2.3
87.00826	6.7
91.03982	2.7
91.05476	9.5
93.07043	33.9
95.04959	9.2
95.08607	52.5
97.02914	12.5
97.06548	14.9
97.10211	4.1
99.04480	5.2
99.08102	16.9
105.01883	8.4
105.07027	15.0
107.08596	29.5
109.02887	15.6
109.06537	7.9
109.10157	34.7
111.04418	2.9
111.08089	16.8
111.11744	13.3
111.22376	3.1
113.09652	2.4
119.04920	2.2
119.08566	12.1
121.06497	4.3
121.10144	17.9
122.06036	4.4
123.08080	4.1
123.11710	75.8
125.09629	5.4
127.03933	20.7
127.11200	24.1
131.08575	4.8
133.10121	6.7
135.08043	2.7
135.11694	21.6
137.05971	6.2
137.13268	18.1
139.11195	7.3
141.31387	2.2
143.08598	2.3
145.04944	4.9
145.06531	2.2
145.10117	6.7
147.04445	6.5
147.11693	12.2
149.13297	6.2
153.12743	43.0
157.10104	5.5
159.11682	7.0
161.13249	3.8
163.03917	3.6
163.11224	3.1
165.09082	3.2
165.12732	11.8
171.13826	12.8
173.13277	2.7
175.11290	2.8
177.05495	5.4
177.12762	3.6
183.13843	3.4
184.07326	3.5
185.13225	2.8
193.15990	2.5
201.16258	2.8
219.17091	2.8
231.05174	4.2
237.18532	16.9
251.17706	2.5
255.19569	5.8
271.20584	4.1
271.24097	2.6
273.22244	2.4
277.25336	13.1
289.25137	14.5
295.26297	25.0
307.26309	65.6
313.27267	6.7
325.27377	40.0
343.28458	23.9
570.53455	2.5
591.31757	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	591.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05041	0.2
55.01832	0.4
55.05492	0.6
67.05479	0.9
69.07043	0.7
69.95187	1.2
79.05466	0.9
81.03401	0.3
81.07056	1.2
83.04955	0.3
83.08632	0.4
83.46974	0.2
91.05493	1.1
93.07028	0.8
95.04954	0.3
95.08562	0.8
97.06509	0.4
97.10131	0.2
98.20672	0.2
105.06993	0.9
107.04950	0.9
107.08563	0.7
107.87355	0.2
109.06477	0.4
109.10150	0.4
119.08543	0.4
127.67104	0.2
131.08542	0.5
133.10130	0.4
133.75537	0.2
135.11667	0.3
137.05943	0.7
145.10103	0.3
151.40115	0.2
161.09581	0.3
163.11099	0.3
173.09685	0.2
176.07010	0.2
176.45145	0.2
184.07312	0.2
189.06979	0.3
191.08621	0.4
202.07755	1.7
203.08566	1.4
207.08125	0.3
213.06998	0.7
215.08560	0.6
216.38377	0.2
218.07317	0.4
219.08072	0.9
220.08855	0.6
221.06119	0.2
227.08575	0.4
227.12820	0.4
231.08061	4.5
233.09656	1.2
241.06534	0.2
242.07237	0.9
243.08099	1.6
245.05948	1.1
247.07567	2.6
248.08273	0.2
255.08043	0.8
256.08823	0.9
257.05887	0.3
258.06805	4.1
259.07553	30.6
260.08255	0.8
261.09177	0.6
269.05960	1.0
270.06607	0.3
271.07547	2.7
273.05463	2.2
273.18643	0.2
274.06213	0.4
275.07016	8.3
275.20090	0.5
276.07544	0.4
283.07690	0.4
285.05328	0.3
286.06223	0.7
287.07062	2.4
289.05368	0.2
289.08578	4.4
289.11557	0.4
291.19568	0.6
297.05466	2.1
298.06244	0.2
299.06870	0.4
303.06586	1.5
305.07947	0.4
313.05038	0.8
315.06451	2.3
325.04984	0.5
379.11301	0.3
382.09372	0.2
395.10693	0.7
405.09027	1.0
423.10056	1.2
424.11188	0.5
442.13278	0.5
443.14395	0.7
444.15408	0.3
445.12408	0.3
447.13553	0.3
451.09903	0.4
453.12686	0.8
460.15213	0.3
461.15396	0.3
464.12076	0.5
469.12241	0.5
470.12921	0.6
471.13843	3.2
472.14682	0.5
480.10995	0.4
481.12158	0.8
482.12894	1.7
487.13187	1.6
488.14334	0.4
489.14850	2.3
497.11752	0.3
498.12515	1.4
499.13376	3.9
500.14102	4.8
503.13055	0.2
509.11847	0.7
510.12323	0.3
511.13242	0.4
515.12872	1.4
516.13611	3.1
517.14404	12.1
518.14746	0.3
525.11298	0.6
526.12018	0.5
527.12830	4.3
528.13623	0.9
528.32886	0.4
529.14337	0.3
531.12451	0.4
535.15320	1.4
538.11902	0.4
543.12207	0.9
544.13184	1.4
545.13885	19.6
546.14563	0.6
554.11304	0.5
555.12408	1.4
555.33337	0.4
556.12958	0.3
563.15198	1.8
570.11115	0.3
571.11975	0.6
572.13031	1.0
573.13361	29.7
573.33838	0.7
574.13757	1.3
591.14398	100.0
592.14771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.0
57.03454	1.0
67.05508	5.7
67.54520	0.8
69.07072	2.4
69.76420	4.5
71.05019	1.0
79.05501	4.7
81.03457	0.9
81.07037	4.9
83.04990	1.6
83.08630	1.7
85.02905	1.1
91.05495	3.5
93.07024	4.2
95.04962	2.5
95.08607	2.6
97.06518	1.5
97.10175	1.1
101.72085	0.9
105.07044	3.0
107.04967	1.7
107.08587	2.3
109.06546	1.1
109.10142	1.1
117.07008	1.9
119.08569	2.4
121.06598	0.9
121.10156	2.1
131.08514	1.3
133.10133	1.6
135.11748	1.1
145.10136	2.0
147.11707	1.3
157.10179	1.0
163.11237	1.7
224.37436	0.8
227.12863	1.4
233.06116	1.3
245.06087	1.7
258.06787	4.8
259.07614	2.8
273.05402	2.0
273.18427	1.1
275.20273	0.9
283.29071	1.0
287.07266	0.9
315.16382	0.9
333.17416	1.7
335.25720	1.5
403.10956	1.1
410.09348	1.2
429.12982	4.3
430.13412	1.7
432.11499	2.1
438.09320	1.3
440.12109	1.0
443.10245	1.1
445.12280	3.4
446.12961	2.6
447.13788	2.8
456.11420	2.9
457.12396	4.4
458.13034	2.9
473.11551	3.3
474.12537	4.6
475.13293	5.1
485.11786	6.5
486.12473	2.5
502.12189	4.1
503.12592	8.4
513.10828	6.4
531.12305	100.0
532.12872	2.0
573.12903	1.0
591.14191	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	591.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01516	0.2
51.80610	0.2
55.05488	0.3
67.05479	0.4
69.98867	1.0
70.06111	0.2
71.44431	0.2
76.99030	0.2
79.05461	0.4
81.07045	0.4
83.04996	0.2
93.07039	0.4
95.04897	0.2
95.08578	0.2
97.02889	0.2
102.87331	0.2
107.04913	0.6
107.08537	0.2
109.10104	0.3
118.17966	0.2
122.03887	0.2
131.08577	0.3
131.21657	0.2
145.10094	0.3
189.06984	0.2
191.08665	0.4
202.07790	1.7
203.08528	1.5
205.06522	0.2
207.07938	0.2
213.06944	0.4
215.08536	0.6
218.07312	0.6
219.08037	1.0
220.08827	0.5
229.06522	0.6
231.08037	4.6
231.10258	0.4
233.09653	0.7
241.06445	0.4
242.07231	1.0
243.08080	1.5
245.05922	1.2
247.07513	3.2
255.08037	0.9
256.08691	1.0
257.06012	0.7
258.06790	4.7
259.07544	35.2
260.08130	1.1
261.09143	0.5
263.07092	0.3
269.06012	1.0
270.06531	0.3
271.07516	2.0
273.05490	2.8
274.06192	0.3
275.07028	9.6
276.07645	0.3
284.08298	0.4
285.05511	0.4
286.06235	0.5
287.07031	2.0
289.05438	0.2
289.08572	3.4
297.05441	2.0
298.05969	0.2
299.07040	0.5
303.06561	1.3
305.08142	0.4
313.04993	0.7
315.06531	2.8
317.08099	0.4
325.04935	0.9
343.06091	0.4
345.07623	0.4
368.12253	0.3
379.10999	0.3
395.10638	0.9
405.09097	1.1
406.09897	0.5
423.10141	1.3
424.11066	0.5
442.13702	0.5
443.14218	0.6
445.12323	0.4
447.13547	0.3
451.09506	0.4
452.11108	0.3
453.12784	0.8
454.13647	0.3
455.14719	0.3
457.04037	0.3
459.13950	0.4
460.14899	0.4
464.11441	0.2
469.12451	0.6
470.13095	0.7
471.13809	3.3
472.14557	0.3
474.12665	0.3
474.98300	0.2
480.11145	0.7
481.12067	0.7
482.12958	1.5
487.13284	1.5
488.14169	0.4
489.14807	2.9
497.11536	0.3
498.12729	1.5
499.13290	4.6
500.14099	4.4
500.20544	0.2
502.11807	0.2
507.15707	0.2
509.11987	0.8
510.12601	0.3
511.13165	0.6
515.12726	1.8
516.13623	3.4
517.14349	13.4
518.14893	0.3
525.11041	0.5
526.12097	0.6
527.12714	4.3
528.13544	0.9
529.14136	0.8
535.15204	1.7
538.11938	0.2
543.12244	1.6
544.13153	1.8
545.13855	22.8
546.14081	0.5
552.00360	0.2
554.11774	0.3
555.12329	1.8
556.13373	0.7
563.15045	2.3
570.11481	0.3
571.11780	0.5
572.12610	0.9
573.13318	33.2
574.13733	0.9
591.14374	100.0
592.14795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.07074	30.7
57.32080	1.0
67.05490	1.6
69.07059	2.3
70.20682	4.8
71.08632	28.0
73.06557	7.7
79.05512	1.6
81.07064	2.1
83.08623	2.6
85.10184	21.9
87.04474	7.2
89.06032	100.0
91.05511	1.8
93.07030	1.5
95.08641	2.0
97.10171	3.1
98.21370	1.6
99.11740	4.3
105.07011	2.2
107.07081	4.2
107.08579	3.2
109.06544	2.0
109.10134	1.6
117.09123	5.5
119.08587	1.6
121.10142	1.4
130.08615	6.0
131.07022	2.8
133.08601	54.3
133.10114	2.7
135.10153	2.0
145.10075	1.4
155.17976	5.0
161.11732	1.8
175.09743	1.3
177.11218	26.2
179.12865	1.3
184.07350	2.6
199.20576	4.1
221.13898	3.9
239.14874	2.4
240.23245	1.2
243.23215	11.2
283.17648	3.1
287.25772	7.9
309.18979	1.3
327.20032	2.6
371.22784	1.4
415.25583	6.0
468.01376	1.2
525.39386	1.4
568.41461	2.0
569.42609	13.5
586.44379	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	590.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01859	0.4
57.03434	0.2
57.07075	0.2
61.02916	0.2
65.03948	0.4
67.05494	0.3
69.03426	1.7
69.07080	0.2
70.06583	0.2
70.67186	0.1
71.04981	0.3
71.58231	0.2
72.04513	0.4
73.02921	0.2
79.05480	0.3
81.03420	1.6
81.07067	0.3
83.04977	0.3
83.08588	0.2
85.02907	2.3
85.06522	0.2
86.06103	0.3
86.09718	0.3
87.08115	0.1
90.05558	1.0
91.05482	3.5
93.07030	0.2
95.04966	0.4
97.02889	3.5
97.06500	0.2
98.02400	0.5
99.04459	1.1
99.08035	0.1
104.10723	0.3
105.07010	0.2
107.08594	0.2
108.59394	0.2
109.02877	4.0
109.06486	0.3
109.10143	0.2
111.04478	0.2
113.06022	0.2
116.03467	0.6
116.98612	0.2
119.04943	11.3
119.96738	0.1
121.10173	0.2
124.07587	0.6
127.03914	3.5
132.06563	0.2
133.10173	0.2
137.05983	0.4
139.03932	0.4
142.08675	0.4
145.04942	0.7
147.04408	100.0
148.04736	0.5
151.03905	0.1
160.09662	0.2
162.65256	0.1
165.05495	0.8
169.05000	0.4
172.09683	0.2
177.05415	0.1
180.06549	0.6
184.07350	0.3
184.09677	0.9
187.06055	1.1
198.07648	0.2
199.05948	0.1
202.10751	2.4
205.07114	0.2
211.09656	0.3
217.06982	0.2
220.11871	0.8
229.07092	0.3
230.10280	0.4
234.09749	0.4
247.08182	0.9
262.12906	0.4
302.04062	0.2
303.05048	0.5
309.09680	10.7
310.12952	0.2
312.04999	0.1
328.13937	2.4
342.06015	0.9
346.14941	0.9
351.10779	0.7
364.16028	2.8
377.01834	0.6
378.02222	1.1
382.16919	0.2
382.66833	0.1
395.03067	0.2
396.03421	0.4
410.06628	0.1
504.05209	0.3
522.06464	0.1
586.11816	0.2
590.06384	0.3
590.26074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01876	0.2
55.84291	0.2
57.51963	0.2
61.02924	0.2
65.03933	0.4
69.03437	1.3
70.06613	0.2
71.04972	0.4
71.56194	0.2
81.03429	1.4
85.02486	0.2
85.02913	2.4
86.06036	0.2
86.09690	0.2
90.05534	0.4
91.05489	3.5
97.02898	3.8
99.04451	0.5
109.02219	0.3
109.02882	3.3
116.03446	0.2
119.04948	11.9
127.03918	2.9
137.05995	0.2
139.03938	0.4
145.04910	0.5
147.04414	100.0
148.04747	0.5
165.05493	0.8
169.04997	0.3
187.06003	1.2
205.07179	0.3
220.11908	0.2
247.08195	0.6
302.04260	0.2
309.09695	7.7
309.13174	0.5
318.94223	0.2
323.24020	0.2
342.06259	0.5
349.71838	0.2
351.10764	1.2
364.16016	0.7
377.01953	0.4
378.02289	0.6
569.80701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.4
55.05500	1.5
56.05026	1.1
56.30449	0.4
58.06595	1.3
59.23117	0.4
60.08167	16.6
60.44420	0.3
67.05518	1.0
68.22395	0.4
69.03436	0.7
69.53442	2.5
69.53867	0.7
69.54072	0.4
70.06586	0.6
71.07382	6.5
75.01982	0.4
79.05475	0.9
81.03426	0.6
81.07055	0.4
83.04994	0.5
83.08636	1.1
85.02925	0.9
86.09710	44.8
93.07028	0.4
97.02873	0.7
97.06538	0.5
97.10164	2.2
98.98480	2.8
99.04473	0.6
104.10747	100.0
107.08601	0.9
109.02905	0.7
117.96783	0.4
125.00006	25.8
125.09630	1.6
127.03972	0.6
137.06021	0.5
143.00974	0.5
153.05450	0.5
176.46292	0.4
184.07347	85.8
185.07779	0.6
189.11238	1.4
212.05588	0.4
227.12817	1.1
244.22971	0.4
249.11200	0.7
258.11411	0.6
324.12558	0.4
342.13318	0.4
410.18930	0.8
428.19397	1.0
470.21185	2.4
526.76837	0.4
530.23865	1.0
536.22845	2.1
554.24060	2.8
572.24707	16.2
590.25720	54.8
591.26318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05505	1.7
56.05037	1.4
56.90859	0.2
57.03434	0.4
58.06578	1.3
60.08165	16.7
63.31713	0.2
67.05499	1.2
69.03426	1.4
69.07065	0.5
70.06586	0.5
70.96617	0.5
70.96963	0.3
71.07374	6.6
79.05489	0.9
81.03408	1.2
81.07040	0.8
83.08610	1.0
84.04510	0.3
85.02907	1.1
86.09706	50.6
87.09992	0.2
91.05470	0.2
93.07043	0.3
97.02892	0.3
97.06516	0.7
97.10169	2.4
98.98466	2.9
102.05554	0.3
104.10745	100.0
105.07027	0.4
105.11067	0.5
107.04934	0.3
107.08597	1.1
109.02878	0.5
109.10123	0.3
117.07075	0.2
125.00007	26.4
125.09609	2.4
127.03916	1.0
135.08069	0.3
139.03856	0.3
143.01071	0.5
145.02792	0.3
147.04408	0.3
151.03888	0.4
153.05466	0.8
153.09163	0.4
163.01476	0.3
177.05484	0.5
180.96161	0.2
181.02737	0.3
184.07341	88.4
185.07701	0.5
189.11206	0.9
227.12828	1.0
249.11269	1.1
258.11154	1.0
266.13986	0.4
324.12830	0.3
392.17169	0.3
410.18649	1.1
428.19360	1.0
460.66098	0.2
470.21463	2.5
470.27591	0.3
512.22687	0.4
530.23621	0.5
536.22321	1.7
554.23779	2.4
572.24713	16.1
573.24860	0.5
590.25720	57.2
591.26080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13560	0.6
53.03941	2.4
55.01871	5.7
55.05512	1.3
57.03426	1.1
57.07075	4.2
59.05019	1.0
61.02920	1.1
67.05495	4.8
69.03432	7.0
69.07067	5.5
69.49459	5.6
70.02969	3.1
71.04984	2.1
72.04143	1.1
72.04517	11.4
73.02925	8.1
74.02438	1.0
79.05482	3.4
81.03420	11.4
81.07056	8.1
83.04974	6.1
83.08627	0.8
85.02905	9.2
85.06537	5.0
86.09708	3.9
87.08108	1.6
88.82868	0.6
90.05553	27.2
91.05473	4.4
92.84344	0.7
93.07045	2.6
95.04967	7.8
95.08578	1.4
96.08128	1.9
97.02889	9.2
97.06503	1.2
98.02419	9.9
99.04472	4.3
99.08109	0.9
100.04008	4.0
103.07597	3.1
105.07030	1.4
107.08590	4.6
109.02887	17.7
109.06522	9.6
109.10163	1.7
111.04411	0.8
112.07622	1.0
113.05996	4.9
115.03931	1.1
116.02663	0.9
116.03460	14.0
116.52337	0.6
119.04944	11.7
121.10126	4.4
123.11674	1.2
124.07597	16.5
125.09624	1.8
127.03906	13.3
130.08664	1.0
131.07104	1.5
131.08559	1.1
132.06552	5.3
133.10141	2.3
135.08037	1.0
137.05998	1.8
138.05507	1.9
142.08640	13.0
144.49756	0.7
145.04974	4.6
147.04413	100.0
148.04726	4.2
149.13237	1.2
151.03835	1.0
153.09084	1.8
156.10246	0.7
160.09708	4.4
163.14854	0.9
166.08659	3.0
167.14362	1.0
169.05013	1.3
172.09660	3.1
173.13289	1.8
174.11240	3.8
180.06554	2.6
181.04994	2.1
184.09700	21.5
187.06059	2.9
191.14323	1.6
198.07663	1.8
199.06012	5.7
202.10748	56.5
203.11441	1.5
209.15399	4.5
211.09619	4.7
216.08636	3.2
217.07088	4.0
220.11819	19.2
226.10803	0.8
230.10275	6.9
234.09721	7.3
244.11861	2.0
262.12872	12.0
287.05597	0.8
304.13882	0.8
309.09680	8.2
310.12830	6.9
328.13910	62.2
346.14987	19.9
351.10873	1.1
364.16028	68.4
365.16714	0.8
382.16995	5.3
394.06631	0.7
411.72580	0.8
469.08929	0.7
581.74750	0.7
590.26263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01862	0.5
55.05501	0.8
61.79895	0.5
67.05503	1.1
69.03447	1.1
69.07066	1.1
70.06599	0.6
71.04977	0.5
79.05502	1.1
81.03417	1.3
81.07049	1.7
83.04980	0.7
85.02887	1.5
91.05492	1.1
93.07047	1.2
95.04988	1.0
95.08620	0.7
97.02904	1.0
97.06547	1.0
97.10120	0.6
99.04423	0.6
105.07037	0.6
107.08601	1.0
109.02892	1.2
109.10159	0.9
111.08147	0.5
117.03403	0.6
119.04954	0.5
119.08569	0.8
121.06498	0.5
121.10192	0.8
122.06053	1.1
127.03951	1.1
135.04420	0.6
137.05992	0.9
139.11221	0.6
145.02864	1.1
147.04420	1.2
147.11656	0.5
163.03932	2.3
174.01044	0.5
177.05508	2.0
184.07492	0.8
191.80321	0.6
203.05289	0.7
347.32138	0.5
349.19794	0.9
423.23920	2.2
457.20355	3.8
461.20117	0.7
471.21945	3.0
497.23553	0.9
585.28833	100.0
586.29468	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	585.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
56.94852	0.5
67.05502	1.5
69.03437	1.1
70.06633	0.7
70.78317	1.4
70.78658	0.7
72.81359	0.5
78.07011	0.5
79.05508	1.3
81.03426	1.5
81.07047	1.8
83.04970	0.5
85.02908	1.3
91.05457	1.4
91.94682	0.5
93.07034	1.4
95.04946	1.0
95.08641	0.8
97.02905	1.4
97.06552	1.2
97.10165	0.6
105.06992	0.8
107.04952	0.8
107.08640	1.1
109.02874	1.1
109.06555	0.6
109.10150	1.1
119.08565	1.6
121.10161	0.8
122.06041	0.7
133.10164	0.9
137.05972	0.9
145.02888	1.2
147.04404	1.9
151.11147	0.6
161.13217	0.9
163.03853	0.6
163.05905	0.6
173.06105	0.6
177.05498	3.5
185.04102	0.5
199.07884	0.6
230.75082	0.5
245.88135	0.5
246.96367	0.7
275.07230	0.9
295.15283	0.6
301.14355	0.7
361.07489	0.5
363.09131	1.8
365.10526	1.1
391.88699	0.7
423.23547	2.8
457.20526	2.9
471.21918	3.5
497.23447	1.3
585.28815	100.0
586.29211	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.05514	24.5
57.07045	8.1
59.04975	5.5
65.03952	4.5
67.05502	30.8
69.03414	7.5
69.07060	17.1
71.04995	7.7
71.08606	4.2
71.32364	4.5
71.32693	5.4
79.05503	28.3
81.07057	48.7
83.04970	15.5
83.08629	30.2
85.02910	7.3
85.06534	8.4
91.05477	53.5
93.07047	41.5
95.04959	17.4
95.05503	3.8
95.08621	42.9
97.06526	23.3
103.05459	4.9
105.07035	80.5
107.08591	57.9
109.06522	13.4
109.10151	35.3
111.08064	4.4
113.09715	5.5
115.05457	5.2
117.07016	17.8
119.08588	82.2
121.06474	5.7
121.10146	61.9
123.08038	13.6
123.11712	9.4
125.09699	6.6
128.06223	12.8
129.06999	14.1
130.07820	5.3
131.08574	42.4
133.10133	59.4
133.70340	3.8
135.08067	5.8
135.11687	16.5
137.09596	7.5
139.11183	10.9
141.07008	9.2
142.07779	18.1
143.08560	37.8
144.09348	7.0
145.10117	64.5
147.08040	8.5
147.11678	23.0
149.09628	13.2
151.07524	9.6
155.08612	20.4
155.10620	9.6
156.09337	14.4
157.10114	51.2
158.10905	10.9
159.11713	34.1
161.13248	13.3
163.11148	8.5
165.07065	7.5
165.09119	13.7
167.08539	12.5
167.10689	12.8
168.09399	7.1
169.10127	25.6
170.10890	9.7
171.11691	33.0
173.13219	29.8
175.11160	6.4
175.14851	9.6
179.08527	10.1
179.14388	4.6
181.10097	11.9
181.12245	19.2
182.10886	8.3
182.63696	4.0
183.11729	26.4
184.07343	5.1
184.12419	6.6
185.13219	26.7
187.14868	10.0
187.44905	3.9
191.14307	7.7
192.09412	4.0
193.10094	13.5
194.10881	13.2
195.11719	28.6
195.13321	5.4
196.12367	5.4
197.13306	33.5
199.14824	20.8
201.16348	5.9
203.14424	6.2
205.10184	6.5
206.10902	7.5
207.11685	16.3
207.13608	7.6
208.12517	10.5
209.13254	26.7
210.13979	5.5
211.14850	17.0
213.16440	7.5
217.88220	4.1
218.10977	4.7
219.11662	7.4
220.12437	7.4
221.13234	18.1
221.15398	33.3
223.14787	20.4
225.14687	10.8
231.11748	6.8
232.12428	5.0
233.13104	11.4
233.15382	23.6
235.14853	16.4
237.16425	7.6
239.17960	7.3
247.14807	7.8
247.16991	6.3
248.15495	6.2
249.16365	9.2
251.18018	7.2
257.18991	7.1
259.14755	6.0
260.15628	8.9
261.16455	8.8
263.18030	6.3
265.19592	9.9
273.16312	5.7
275.17606	7.2
277.19467	11.4
279.21021	4.7
283.20670	7.7
291.20959	4.8
295.20511	5.7
297.22031	6.3
301.19278	4.5
315.21481	3.8
315.70819	3.7
331.24149	5.0
335.23798	4.5
343.24240	6.5
345.25671	8.8
349.25168	7.8
361.15961	4.1
363.26770	8.1
375.26782	5.0
397.28830	7.6
415.29993	7.4
565.40521	36.5
583.41541	100.0
584.41852	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01877	3.0
55.05502	10.4
57.07068	7.5
57.80549	2.7
59.17522	2.6
67.05508	20.3
69.03429	6.7
69.07066	13.7
69.30238	29.6
73.26645	2.5
79.05502	24.7
81.07053	31.1
83.04971	8.3
83.08617	10.4
85.02911	2.9
85.06555	9.8
91.05485	24.9
93.07039	35.4
95.04951	6.4
95.08613	27.0
97.06524	10.8
103.05447	4.2
103.43061	2.6
105.07035	47.4
107.04928	3.8
107.08597	38.0
109.06551	7.4
109.10164	14.6
113.09598	3.1
115.05450	2.8
117.07027	12.2
119.08589	54.1
121.06516	3.7
121.10136	29.4
123.08079	11.4
123.11704	6.2
125.09636	4.1
128.06224	3.9
129.07034	8.0
131.08575	21.2
133.10136	33.6
135.08104	4.5
135.11708	12.3
137.09657	7.5
139.07416	2.5
139.11212	5.4
139.41684	2.6
141.06931	3.0
142.07788	12.0
143.08566	20.7
144.09349	6.7
145.10100	38.6
147.08051	5.7
147.11679	14.7
149.09650	3.8
149.13290	3.7
151.07594	7.7
154.07726	3.5
155.08580	7.7
155.10704	5.1
156.09319	6.9
157.10146	33.7
158.10880	5.1
159.08081	3.2
159.11708	23.1
161.09673	6.0
161.13268	7.4
163.11168	8.2
165.09117	8.5
167.08522	5.6
167.10699	4.9
168.09370	6.2
169.10152	21.0
170.10866	5.0
171.11710	16.5
173.13229	15.0
175.11169	3.2
175.14857	10.0
177.12816	3.2
179.08572	5.6
180.09370	4.1
181.10135	10.0
181.12245	8.2
182.10922	3.8
183.11707	19.0
184.07376	3.2
184.12401	2.6
185.13312	10.5
187.14857	9.5
189.12822	5.6
191.14377	6.3
192.09413	2.9
193.10228	4.7
194.10922	6.1
195.11754	12.5
196.12479	4.0
197.13219	17.7
199.11316	3.1
199.14867	5.7
201.12666	2.9
201.16504	4.6
203.14307	6.5
205.10133	3.0
206.10979	3.2
207.11737	9.0
207.13853	6.9
209.13246	16.3
209.15056	3.3
210.14113	3.2
211.14865	7.6
217.15903	5.0
219.11736	4.5
221.13300	9.1
221.15445	27.3
223.14748	5.8
225.14714	5.9
225.16635	4.8
231.11737	3.4
232.65645	2.7
233.13326	6.1
233.15459	8.9
233.71024	2.8
235.14890	7.3
237.16449	5.7
245.13261	6.6
247.14838	6.4
247.17035	4.0
249.16367	6.5
261.16183	4.1
263.17798	2.7
265.19592	4.4
267.17770	3.4
275.17734	3.7
277.19467	3.5
279.20874	3.7
283.20612	5.8
285.18765	3.2
375.27094	3.5
425.30222	3.5
491.35254	44.4
492.35471	4.4
494.48013	3.0
565.40326	17.3
583.41406	100.0
584.41681	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
55.05497	18.9
57.07072	17.8
57.39875	7.1
63.04016	7.5
67.05495	30.3
69.07061	27.1
69.41499	28.8
69.41919	40.8
71.71092	8.4
79.05484	28.1
81.07070	42.2
83.04967	13.4
91.05482	55.9
93.07050	67.9
95.04969	20.1
95.08595	29.1
97.06535	8.0
105.07047	70.6
107.08591	66.8
109.06487	9.7
109.10148	23.0
117.07019	24.6
119.08587	99.3
121.06594	9.1
121.10143	67.0
123.08079	12.7
123.11684	9.1
128.06242	16.6
129.07004	34.1
130.07709	8.5
131.08632	41.2
133.10120	41.8
135.08032	13.0
135.11732	10.4
139.11182	8.0
141.06987	11.0
142.07747	22.5
143.08575	40.2
144.09335	13.3
145.10117	58.9
147.07983	9.8
147.11647	14.7
149.09586	10.1
151.07552	13.2
155.08565	18.8
156.09364	25.7
157.10121	64.3
159.11710	30.2
161.09579	9.5
161.13237	12.4
165.09155	19.6
167.08568	9.6
167.10727	24.1
169.10123	28.9
169.75233	9.4
170.10777	9.6
171.11719	39.3
173.13278	19.9
175.11270	7.6
175.14894	10.5
179.08594	13.0
181.10146	23.2
181.12248	13.1
183.11671	29.2
185.13313	18.9
187.14850	9.3
187.87866	7.1
191.14349	13.5
193.10080	16.0
194.10950	15.7
195.11713	30.4
197.13223	17.8
199.14854	17.1
203.14255	8.5
207.11707	21.3
207.13673	10.3
208.12509	12.0
209.13213	25.0
211.14827	11.1
219.11746	9.9
221.13374	15.9
221.15376	29.3
222.14076	13.2
223.14780	16.1
231.11606	10.6
233.15303	18.6
235.14798	14.7
247.14787	16.5
249.16270	13.0
251.17964	8.8
259.15024	10.0
261.16251	9.2
275.18097	9.7
283.20593	14.6
289.19458	9.2
296.72675	7.6
349.25653	8.7
565.40405	15.6
583.25903	9.5
583.41479	100.0
605.22766	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.16206	2.0
55.05517	10.7
57.07066	4.6
59.04993	2.5
65.03952	2.5
67.05506	17.1
69.03411	5.7
69.07064	11.0
75.51969	2.0
79.05498	15.2
81.07061	16.8
81.82342	2.1
82.61886	2.6
83.04992	4.0
83.08613	5.2
91.05486	20.5
93.07049	32.3
95.04988	7.4
95.08627	23.3
97.06553	3.5
103.05468	3.4
105.07031	38.3
107.05009	2.5
107.08591	20.8
109.06535	6.4
109.10186	12.3
117.07016	9.1
118.46275	2.0
119.08582	32.0
121.06496	2.8
121.10143	21.1
123.08085	8.0
123.11665	2.9
128.06232	3.7
129.07001	4.5
131.08583	15.6
133.10139	17.4
135.08057	5.5
135.11710	7.5
137.09604	8.4
141.07051	3.1
142.07794	8.0
143.08557	17.5
144.09367	3.6
145.10124	26.1
147.08064	12.8
147.11725	7.0
149.09639	4.0
151.07521	11.7
153.06981	2.9
155.08582	6.5
156.09370	8.8
157.10143	21.4
158.10904	2.6
159.07970	2.4
159.11719	11.9
161.09665	2.3
161.13280	4.7
163.11179	4.4
165.09128	24.2
167.08627	5.0
167.10649	4.6
168.09367	4.8
169.10100	12.4
170.10878	5.5
171.11684	16.6
171.99821	2.4
173.13290	9.8
179.08607	8.3
181.10173	8.9
181.12349	2.6
182.11087	2.9
183.11703	15.5
185.09596	2.8
185.13298	8.1
187.14796	2.1
189.12746	2.8
191.14233	3.4
193.10172	5.7
194.10922	5.8
195.11760	10.7
196.12511	5.6
197.13242	11.3
199.14850	7.3
203.14368	9.6
205.10152	2.9
206.10963	3.6
207.11746	8.2
207.13773	5.3
208.12509	2.5
209.13231	12.2
211.14861	6.9
219.11685	3.4
220.12405	2.3
221.13303	5.1
221.15334	34.8
222.14046	2.9
223.14801	6.4
225.16393	2.5
231.11856	3.2
233.13199	2.8
233.15436	3.4
235.14854	4.7
237.16530	4.2
245.13318	4.5
247.14832	3.8
251.17940	2.3
257.18991	3.2
257.81989	2.2
261.16263	2.9
265.19705	5.0
269.18793	3.5
271.14734	3.4
281.19095	2.5
283.20627	7.2
297.22198	4.3
375.26837	4.0
403.30197	6.2
503.35461	2.4
565.40472	27.3
583.41461	100.0
584.41656	4.0
585.50055	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63089	5.4
53.28577	5.0
55.05508	21.0
57.07072	22.2
59.05006	6.1
67.05509	30.3
69.01856	5.9
69.03439	13.3
69.07069	19.3
70.28513	25.2
79.05495	26.1
81.07050	35.7
83.08637	9.1
85.06544	16.7
91.05489	51.0
93.07040	59.9
95.04965	15.9
95.08607	35.9
97.06522	6.3
98.96083	6.1
103.05490	7.7
105.07040	66.2
105.78548	5.6
106.61037	5.3
107.08591	52.1
109.10176	24.2
112.90390	5.5
117.07022	17.4
119.08590	98.9
121.10143	52.6
123.08096	14.4
123.11761	8.1
125.09663	5.3
128.06236	12.6
129.06998	20.8
130.07753	6.3
131.08556	36.4
132.44798	6.3
133.10123	51.3
134.61311	5.9
135.08066	8.1
135.11708	20.5
137.09621	13.6
141.06984	7.4
142.07791	21.9
143.08548	41.0
145.10109	62.2
147.08067	21.8
147.11673	17.7
149.09683	6.9
151.07594	9.6
153.07018	6.2
155.08601	17.2
156.09377	20.9
157.10127	65.6
159.08073	6.4
159.11661	34.3
161.13258	8.6
163.11186	6.8
165.09106	31.4
167.08563	8.5
167.10730	13.3
168.09390	10.1
169.10156	26.1
170.10934	7.9
171.11661	35.9
173.13297	29.0
175.11198	5.8
175.14786	10.6
179.08548	12.9
181.10057	13.0
182.10916	9.5
183.11720	36.5
185.13287	17.0
187.14804	8.6
193.10216	12.5
194.10945	10.3
195.11714	26.5
197.13292	19.9
199.14854	20.1
203.14355	14.1
206.10928	13.5
207.11740	17.5
209.13348	34.7
211.14810	9.5
217.10143	7.4
217.15965	12.8
219.11725	9.5
220.96732	6.6
221.13232	20.5
221.15405	54.1
223.14818	18.3
227.14342	5.7
233.13275	11.6
233.15427	10.4
234.13933	8.9
234.30670	6.2
235.14801	11.5
237.16385	9.3
239.18011	7.5
245.13383	12.9
247.14902	10.7
249.16557	11.2
257.19073	10.3
259.14832	7.4
261.16446	13.1
263.17914	8.3
265.19501	14.0
275.18005	12.6
283.20627	18.8
349.25211	14.9
491.34555	9.5
522.35254	5.6
565.40363	19.4
583.41455	100.0
584.40894	7.4
609.59338	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05510	12.3
57.07064	6.9
59.05003	2.1
65.03938	3.9
67.05506	17.2
69.03428	6.4
69.07077	14.2
71.05012	1.5
79.05497	20.3
81.07059	25.3
83.04974	7.3
83.08620	7.0
85.06528	5.0
91.05484	32.7
93.07047	44.2
94.34179	1.2
95.04971	11.5
95.08614	29.4
97.06513	5.7
97.10155	1.6
103.05455	2.7
105.04494	1.4
105.07030	55.3
107.08595	41.8
109.06526	8.0
109.10161	17.1
111.08100	3.8
112.18864	1.2
112.48473	1.3
113.09644	2.5
115.05450	3.3
116.06236	1.6
117.07007	14.1
117.44882	1.3
119.04958	1.3
119.08583	58.2
121.06522	3.2
121.10146	47.5
123.08064	10.9
123.11717	4.6
125.05953	2.1
125.09626	3.3
128.06233	10.0
129.07008	11.3
130.07785	4.8
131.08566	28.5
131.09515	2.3
133.06503	3.2
133.10138	32.8
135.08081	6.7
135.11700	12.6
136.17157	1.3
137.09607	8.5
139.11171	2.7
141.06995	5.8
141.09163	1.5
142.07773	16.5
143.08568	27.2
144.09343	5.2
145.06500	1.3
145.10121	42.5
147.08009	7.8
147.11691	14.5
149.09622	7.6
149.13318	2.7
151.07581	6.6
151.11186	1.6
153.07039	3.1
153.09108	1.4
154.07729	1.6
155.08571	14.0
155.10657	2.6
156.09340	14.7
157.10133	43.2
158.10947	6.7
159.08060	5.7
159.11696	24.1
161.09598	6.2
161.13283	5.7
163.11227	7.1
163.14880	1.4
165.07024	4.1
165.09135	10.3
166.07779	2.4
167.08601	6.9
167.10686	30.5
168.09334	7.1
169.10117	18.2
170.10934	8.6
171.11685	26.5
172.12433	1.9
173.09660	4.6
173.13263	19.8
175.11203	4.2
175.14751	8.1
178.07692	2.0
179.08534	9.3
180.09360	6.4
181.10114	14.6
181.12224	5.5
182.10875	6.4
183.11699	21.3
184.12524	3.2
185.09717	2.1
185.13264	15.4
187.11172	1.9
187.14822	7.7
189.12794	5.0
189.16411	1.3
191.14359	5.9
192.09386	4.4
193.10185	13.0
194.10880	8.4
195.11668	19.1
196.12489	5.7
197.13263	18.4
198.13928	1.6
199.11150	1.7
199.14838	12.4
201.12646	1.3
201.16449	3.9
203.08492	1.4
203.14355	6.0
205.10175	3.0
205.15918	2.4
206.10866	7.3
207.11707	14.2
207.13847	4.3
208.12456	3.9
209.13281	24.0
209.15221	1.6
210.13968	2.5
211.11337	2.3
211.14867	11.8
213.12654	2.1
213.16469	3.5
215.14389	5.4
217.10201	2.8
217.15854	7.2
218.10899	2.1
219.11757	4.2
219.17436	1.6
220.12547	4.1
221.13301	12.4
221.15425	21.8
222.14052	4.0
223.14815	14.1
225.12820	2.0
225.16426	5.3
227.14427	3.2
227.18008	2.0
229.15843	2.2
231.11786	4.5
232.12529	3.7
233.13263	7.1
233.15428	9.8
234.13974	2.3
235.14882	9.2
235.16870	1.6
236.15659	1.7
237.16379	7.7
239.18015	3.8
241.19539	1.5
243.17458	1.8
244.12367	2.0
245.13268	7.4
246.14024	3.2
247.14706	7.2
247.17056	1.4
248.15680	2.0
249.16443	7.0
250.17059	1.5
251.17986	5.3
253.15837	1.6
253.19630	1.8
255.17549	3.0
257.13287	2.0
257.19077	4.3
258.14105	1.8
259.14871	5.6
260.15668	2.7
261.16336	6.8
263.14359	1.7
263.18011	5.7
265.19604	5.8
267.17389	2.0
267.21002	1.6
269.19070	4.7
270.13937	1.3
271.14819	1.8
271.20560	2.8
272.15555	2.5
273.16281	2.7
274.16916	2.1
275.17963	5.7
277.19489	4.2
279.17410	1.4
279.21133	1.6
281.19208	1.7
283.20511	6.8
285.18790	1.9
287.20334	1.7
289.19598	3.5
291.21179	2.6
295.20651	3.8
297.22214	2.1
299.20276	1.6
309.22116	3.0
311.20163	2.1
315.21069	2.5
327.21265	1.9
329.22852	2.0
331.24258	2.7
333.22241	2.0
335.23721	3.0
347.23776	2.4
349.25281	5.6
357.25775	1.7
359.23691	2.2
361.25455	3.4
375.26773	4.5
403.29935	5.3
427.30203	2.5
485.34006	1.8
491.35413	6.6
547.39606	3.6
565.40277	21.1
583.41443	100.0
584.41943	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.05508	17.5
57.07077	11.2
57.09871	2.4
59.05007	4.0
65.03918	3.3
67.05508	27.1
69.03426	7.7
69.07072	27.8
71.05006	3.9
74.57765	2.1
79.05485	25.7
81.07059	37.7
83.04977	9.5
83.08623	7.9
85.06534	5.4
87.04459	2.5
89.06011	3.0
91.05480	44.5
93.07049	64.1
95.04967	15.5
95.08605	35.7
95.09171	4.3
97.06534	6.6
97.10191	2.6
103.05499	4.9
105.06384	5.1
105.07033	71.8
107.08595	52.0
109.06522	11.2
109.10159	28.6
111.08089	4.9
111.98488	2.3
115.05444	3.8
116.56050	2.3
117.07011	19.3
119.08584	89.3
121.06474	5.7
121.10140	65.2
123.08064	12.3
123.11724	5.9
125.05967	4.6
125.09637	5.1
128.06207	13.1
129.07008	16.6
130.07787	10.4
131.08563	32.8
133.06494	2.8
133.10124	44.9
135.08067	8.9
135.11713	17.7
137.09648	11.9
139.11186	3.2
141.07051	9.3
142.07805	25.2
143.08571	37.9
144.09344	6.9
145.10136	59.6
147.08086	11.4
147.11676	21.6
149.09624	13.4
149.13271	3.3
151.07536	8.7
153.07016	7.5
154.07753	5.0
155.08577	19.8
156.09341	18.6
157.10136	47.3
158.10873	11.9
159.08107	5.8
159.11688	30.6
161.09581	6.7
161.13304	8.5
163.11212	7.1
165.07047	8.2
165.09128	12.5
167.08549	9.8
167.10677	42.4
168.09354	7.4
169.10146	32.2
170.10887	7.2
171.11679	26.6
173.09671	3.1
173.13239	19.7
175.11270	4.1
175.14848	10.8
179.08589	17.4
180.09308	4.8
181.10117	16.9
181.12273	7.9
182.10918	7.5
183.11717	32.5
184.12450	3.9
185.09647	3.2
185.13193	17.7
187.11157	3.9
187.14880	8.9
189.12740	6.8
191.08578	2.9
191.14337	9.4
192.09348	6.6
193.10121	14.2
194.10925	9.7
195.11699	19.8
196.12579	7.4
197.13261	22.0
199.11293	4.0
199.14799	16.6
201.16389	6.7
203.14362	6.4
204.09341	3.5
205.10201	5.8
205.15907	2.6
206.10995	8.6
207.11761	20.6
207.13606	4.8
208.12482	9.8
209.13275	26.4
209.15140	4.1
210.13997	3.5
211.11214	2.4
211.14841	14.3
213.16357	3.3
215.14334	4.3
217.10196	3.1
217.15858	10.6
219.11736	7.5
220.12534	6.3
221.13275	16.8
221.15424	24.2
222.13969	6.4
223.14929	13.3
225.16429	6.8
227.14348	3.0
231.11694	8.0
232.12486	3.4
233.13264	10.4
233.15431	15.5
234.13972	6.7
235.14934	12.5
236.15645	5.6
237.16420	7.1
245.13179	11.6
246.14128	5.8
247.14893	10.2
247.17140	3.3
249.16464	8.2
250.04265	2.6
251.18062	6.3
255.17368	3.1
257.13257	5.8
257.19080	7.0
259.14944	8.6
260.15564	4.5
261.16266	11.8
263.17987	5.9
265.19565	5.5
269.18970	4.6
273.16394	6.2
274.16949	4.3
275.17944	7.6
277.19437	4.5
281.19183	4.1
283.20471	13.2
285.18600	4.0
289.19577	3.8
313.19821	2.8
331.24252	6.1
335.23776	4.5
343.24298	3.2
347.23831	5.2
349.25363	6.5
361.25186	4.0
375.27020	3.4
411.26990	2.7
491.34985	7.0
521.71558	2.5
565.40637	16.7
583.41425	100.0
584.41779	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.2
57.07074	7.0
59.05003	2.9
67.05506	18.9
69.03419	7.4
69.07084	14.6
70.83908	2.8
70.84242	5.5
71.08649	3.4
74.54488	2.6
79.05484	13.3
81.07063	25.3
83.04987	6.4
83.08622	6.0
85.06547	4.0
91.05495	30.7
93.07047	42.5
95.04977	5.0
95.08617	26.8
97.06547	6.7
103.05469	2.9
105.07040	49.9
106.81705	2.6
107.04939	3.7
107.08591	31.6
109.06516	6.0
109.10175	18.3
115.05457	4.2
117.07023	12.4
119.08591	46.0
121.06531	4.9
121.10155	44.4
123.08067	14.1
123.11749	6.1
128.06265	7.1
129.07047	11.1
130.07953	3.5
131.08571	21.6
133.06593	2.3
133.10130	29.7
135.08109	7.2
135.11703	8.6
137.09608	7.4
139.11194	2.7
141.07016	3.8
142.07790	9.9
143.08583	21.3
144.09393	2.9
145.10117	38.0
147.08086	8.4
147.11710	12.6
149.09650	7.7
151.07530	12.6
153.07027	3.2
155.08574	12.4
156.09352	10.0
157.10146	37.7
158.10971	5.2
158.71327	3.0
159.08060	2.8
159.11732	18.5
161.09657	2.9
161.13268	6.1
163.11226	5.2
165.06963	3.9
165.09100	17.9
167.08553	7.2
167.10693	35.4
168.09384	5.0
169.10141	17.3
170.10922	5.1
171.11708	17.4
173.09607	4.9
173.13304	16.9
175.11276	4.0
175.14876	6.0
179.08635	6.6
181.10152	9.4
181.12299	5.0
182.10980	6.3
183.11699	15.7
185.13332	11.3
187.14867	3.7
189.12779	5.8
191.14334	2.9
192.09401	3.6
193.10158	4.4
194.10910	4.6
195.11736	14.0
196.12491	7.2
197.13297	14.8
199.14874	5.4
203.14374	10.0
206.10931	3.3
207.11728	10.7
207.13667	3.6
208.12537	5.6
209.13222	16.1
211.14877	8.3
217.10263	3.1
217.15942	4.6
219.11679	6.5
220.12613	2.9
221.13330	10.1
221.15445	45.5
223.14893	8.6
225.16457	3.7
231.11662	2.8
233.13295	4.9
233.15439	8.6
234.14050	3.6
235.14922	9.0
237.16560	3.8
239.17993	4.0
245.13385	4.1
246.14157	2.8
247.14999	4.1
248.15773	3.9
249.16393	4.7
251.17996	3.1
257.19089	6.9
259.14874	4.2
260.15472	3.5
261.16525	7.5
263.18033	3.8
265.19540	4.4
275.17938	5.6
277.19611	4.3
279.21075	3.6
283.20670	12.2
287.20300	4.7
301.72440	2.8
311.20163	3.7
341.30753	2.6
349.25403	4.9
375.26797	3.6
403.30090	6.1
491.35580	3.5
503.34769	3.7
505.02649	3.1
527.92017	3.0
565.40417	22.4
583.41516	100.0
584.41492	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52171	2.1
55.01862	2.4
55.05508	7.3
57.07077	5.6
59.04988	1.9
62.43530	1.8
67.05503	11.1
69.03433	2.2
69.07063	8.5
71.04697	5.0
76.24355	2.0
79.05502	10.6
81.07059	17.5
83.05000	4.3
83.08633	6.1
85.01517	1.7
85.06553	3.0
91.05476	17.1
93.07037	25.9
95.04990	5.7
95.08601	17.7
97.06544	4.7
102.60983	2.2
105.07041	32.0
107.04921	2.0
107.08585	23.4
109.06533	4.0
109.10160	12.6
117.07048	5.9
119.08591	32.2
121.06540	3.2
121.10155	19.4
123.08067	11.6
123.11696	2.8
128.06236	6.3
129.07037	7.7
130.07845	2.0
131.08571	14.7
133.10150	17.8
135.08102	5.3
135.11716	6.6
137.09659	3.6
141.06979	4.4
142.07790	9.3
143.08545	12.4
144.09352	3.7
145.10130	22.0
147.08110	5.3
147.11713	8.5
149.09692	3.7
151.07570	10.7
155.08597	6.1
156.09367	8.9
157.10162	21.4
158.10912	3.5
159.11705	12.0
161.09630	3.5
161.13245	3.4
163.11211	3.6
165.06931	2.9
165.09155	8.4
165.13014	1.8
167.08623	4.3
167.10652	11.0
168.09305	3.1
169.10124	11.2
170.11003	4.8
171.11702	16.0
173.09619	2.5
173.13251	10.1
175.14883	5.3
179.08603	4.7
181.10136	5.6
181.12233	4.3
182.10948	3.7
183.11713	10.8
184.12457	2.7
185.13264	9.8
187.14835	3.4
189.12761	4.6
191.14380	3.0
193.10170	8.6
194.10930	3.7
195.11696	11.0
195.13612	1.9
196.12556	4.4
197.13219	10.4
199.14925	7.4
201.12762	2.8
201.16287	3.1
203.14375	6.6
206.10886	4.8
207.11823	4.5
207.13808	3.3
209.13350	9.3
211.14857	5.6
217.15929	4.7
219.11781	3.0
220.12471	2.7
221.13354	4.4
221.15442	25.7
223.14891	8.3
225.16463	3.6
231.17462	3.4
232.12492	3.0
233.13327	4.7
233.15320	3.6
235.14853	5.5
236.15555	2.4
237.16473	3.0
240.57628	1.9
245.13359	4.5
247.14954	5.5
249.16556	4.7
251.18063	3.5
253.19508	2.0
257.18948	4.6
260.15567	2.2
261.16415	4.2
263.18069	3.6
265.19641	3.9
269.19095	2.1
275.17938	3.8
277.19519	3.1
279.21033	4.7
283.20688	7.9
286.17480	1.9
289.19507	2.4
295.20676	2.2
307.20343	2.4
341.54727	1.9
375.26672	2.1
403.30026	4.1
415.29565	2.1
473.33514	2.6
503.35800	3.0
547.39282	4.6
565.40155	20.0
583.41504	100.0
584.41962	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	583.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96340	0.5
55.05505	0.8
61.02934	2.8
67.05499	1.9
69.03434	0.8
69.27988	5.2
69.28410	1.3
73.02926	0.8
77.25234	0.5
79.05480	2.2
81.03449	1.4
81.07064	2.8
83.08617	0.7
85.02907	2.6
86.83791	0.6
90.35913	0.6
91.03953	1.7
91.05484	1.4
93.07039	1.4
95.04939	0.7
95.08618	1.2
97.02904	1.6
98.20687	1.2
105.06998	1.3
107.08598	1.0
108.69241	0.5
109.02878	0.6
109.10183	1.2
117.07011	0.6
119.08561	1.0
121.10152	1.6
127.03988	0.9
131.08551	0.8
133.10144	1.0
135.08080	0.6
135.11697	0.5
145.04906	0.7
147.11607	0.6
172.07649	0.7
184.07428	0.6
193.03232	0.6
197.10707	1.1
202.95705	0.6
204.10234	1.3
209.10809	1.0
213.10185	1.0
215.17552	0.6
216.10254	2.4
223.12384	0.9
230.11681	2.8
235.12364	0.7
237.10071	0.6
242.10414	0.9
245.10548	2.1
246.11292	0.7
251.11899	2.9
252.15060	1.1
258.11197	1.4
260.11642	0.8
264.11353	1.1
265.12122	1.9
276.12070	0.7
280.14493	7.0
292.14450	0.8
296.13965	1.0
301.12039	1.8
304.11789	10.8
306.16125	3.8
307.16650	1.0
314.12909	1.2
318.16162	0.8
319.12888	3.2
328.14484	1.7
330.15930	0.9
342.16180	2.2
343.13187	1.5
343.16953	1.1
344.17935	0.8
356.17578	3.4
358.19260	0.9
372.13547	1.1
373.14148	1.4
374.14813	3.6
387.15533	3.0
402.18134	7.3
407.18719	1.1
421.20721	1.3
434.17413	0.7
435.17844	1.5
436.18961	1.3
439.33447	0.7
449.20096	1.0
451.21225	0.8
481.22403	2.6
495.20386	1.0
509.21838	2.1
523.23633	0.9
565.24084	0.7
566.22876	0.9
568.23480	3.0
583.25543	100.0
584.25854	1.7
614.26978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
51.02379	0.8
53.03935	1.4
55.05295	0.7
55.05515	7.1
57.03428	0.7
57.07068	3.9
59.04998	1.9
65.03954	1.7
67.05502	10.6
69.03429	3.7
69.07069	10.0
69.90414	3.7
71.04991	1.0
77.03957	0.8
79.05493	13.1
81.07056	15.9
83.04964	3.3
83.08614	6.0
85.06542	3.1
91.04886	1.1
91.05474	21.2
93.06461	1.7
93.07043	27.3
95.04955	5.5
95.07980	0.9
95.08602	18.1
97.06520	4.3
97.10203	1.0
98.21420	1.0
98.65976	0.7
99.77308	0.7
103.05473	1.6
105.07030	34.4
107.04932	0.8
107.08594	27.0
109.06531	5.5
109.10151	10.6
111.08086	2.3
111.11719	1.9
115.05449	2.4
117.07047	6.5
119.04901	0.8
119.08580	40.7
121.06506	1.9
121.10141	29.4
123.08073	9.6
123.11708	3.7
125.05990	1.6
125.09637	2.4
128.06215	4.9
129.07005	5.5
130.07776	2.8
131.08582	16.8
133.06517	1.5
133.10129	23.3
135.08052	4.7
135.11699	10.8
137.09612	5.4
139.11191	2.4
141.07013	3.8
142.07759	10.0
143.08568	17.1
144.09338	3.4
145.06522	1.3
145.10123	26.9
147.08026	4.5
147.11697	8.2
149.09625	5.7
149.13312	1.9
151.07550	8.7
151.11275	0.8
153.07013	2.2
154.07765	1.3
155.08568	8.2
155.10638	2.0
156.09363	8.0
157.10132	27.5
158.10873	3.8
159.08064	3.6
159.11699	14.0
161.09648	3.8
161.13248	4.1
163.11209	4.2
165.06990	3.2
165.09102	9.0
166.07837	1.6
167.08586	4.9
167.10674	23.4
168.09357	3.7
169.10120	13.0
170.10915	3.5
171.11687	19.2
172.12476	1.2
173.09608	2.5
173.13260	14.6
175.11154	2.1
175.14810	5.5
177.09079	0.9
177.12762	1.0
178.07800	1.3
179.08498	6.5
179.14384	1.1
180.07870	0.7
180.09291	3.7
181.10138	7.2
181.12245	5.0
182.10817	3.8
183.11703	15.2
184.12483	4.0
185.13274	9.1
187.11185	1.4
187.14809	4.4
189.12801	3.4
189.16306	1.0
191.14281	5.4
192.09369	2.6
193.10172	5.9
194.10876	4.4
195.11703	12.9
196.12480	3.3
197.13254	13.2
198.13841	0.9
199.11194	1.8
199.14822	9.2
201.12711	0.8
201.16414	2.5
203.14311	3.8
205.10168	2.5
205.15889	1.3
206.10953	4.0
207.11716	10.8
207.13832	4.3
208.12462	3.3
209.13271	17.4
209.15161	1.4
210.14017	2.4
211.11227	1.6
211.14815	9.9
212.15291	0.9
213.12817	1.7
213.16435	2.8
215.14439	2.1
217.10161	1.9
217.15913	6.5
218.11046	1.3
219.11719	3.7
219.17448	1.2
220.12524	3.5
221.13263	9.9
221.15408	19.7
222.14020	2.8
223.11241	1.3
223.14787	10.1
224.15581	1.1
225.12828	1.6
225.16429	4.4
227.14304	2.9
229.15930	1.8
231.11687	2.5
231.17535	2.4
232.12361	1.5
233.13239	5.1
233.15427	7.2
234.13960	1.9
235.14746	5.7
236.15567	1.7
237.16400	4.9
239.14363	1.9
239.17937	2.6
241.15935	1.4
243.11742	1.3
244.12469	1.4
245.13255	4.2
246.14133	1.5
247.14812	5.2
247.16855	1.8
248.15544	1.4
249.16412	6.1
251.14403	1.0
251.17926	4.7
253.15950	1.0
253.19594	1.5
255.17476	1.7
257.13217	1.2
257.18961	5.4
258.14066	1.7
259.14758	3.6
260.15649	1.5
261.16428	5.4
262.17322	1.0
263.17981	4.1
265.19507	4.5
267.17426	0.9
269.19067	4.3
271.14792	1.7
271.20587	1.8
272.15573	1.0
273.16367	2.0
274.17020	1.6
275.17883	5.8
277.19559	3.5
279.17648	0.8
279.21170	1.8
281.18988	1.9
283.20523	10.5
285.16110	1.5
285.18973	1.2
285.22086	1.0
287.17856	2.2
287.20517	1.2
288.18854	1.2
289.19611	3.0
291.17511	1.1
291.21033	2.3
293.19003	1.8
295.20569	4.8
297.22174	1.6
299.20282	1.7
300.20853	0.9
301.21899	1.1
303.20981	1.6
307.20566	1.2
315.21066	1.2
317.22552	0.8
319.20667	1.4
321.22006	1.2
327.21136	0.8
329.22620	1.6
331.24252	4.5
335.23889	1.5
337.25241	1.4
343.24182	1.4
345.25635	1.0
347.23813	2.9
349.25220	5.0
357.25739	1.9
359.23889	1.1
361.25177	2.1
365.24402	1.2
375.26892	3.4
377.24582	0.8
403.30078	4.2
412.27646	1.1
427.29904	0.9
443.29214	1.1
491.34894	2.4
503.35291	2.1
509.34152	1.4
547.39575	4.7
565.40381	20.0
566.40662	1.2
583.41455	100.0
584.41779	6.9
585.18701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01866	6.1
55.05512	19.7
57.03440	18.3
58.00555	2.1
59.05005	2.1
60.04534	4.7
61.02937	11.8
65.03950	3.3
66.05145	1.9
67.05499	49.1
69.03426	17.9
69.07064	44.5
70.06596	2.4
70.19650	9.7
71.04993	21.6
73.02922	10.3
75.04472	1.9
78.80712	1.8
79.05493	46.4
79.05953	2.6
80.15002	1.9
81.03418	25.3
81.07058	66.5
81.07526	4.6
83.04979	17.9
83.08620	11.9
84.04459	2.3
85.02896	20.6
85.06564	4.6
86.09690	4.5
91.03954	4.8
91.05477	40.5
93.07042	43.7
95.04960	25.1
95.08608	27.6
95.09177	3.5
97.02888	14.0
97.06535	58.3
97.10175	17.6
99.04465	5.6
99.08092	7.1
100.11228	4.2
104.10741	3.4
105.07029	25.1
107.04966	14.6
107.08598	28.8
109.02876	8.8
109.06516	10.2
109.10137	15.4
110.06147	2.0
111.04456	7.3
111.08097	7.5
113.05975	2.5
115.07568	30.9
117.07019	18.0
119.04932	6.1
119.08579	29.0
119.53963	2.2
121.06510	10.4
121.10149	17.0
122.06018	3.6
123.04402	3.1
123.08080	11.0
123.11715	3.8
124.64415	2.2
125.09631	13.1
127.03915	7.9
129.06978	11.9
131.07011	5.7
131.08565	22.7
133.06477	7.6
133.10118	23.1
135.08044	18.4
135.11693	10.7
137.06000	7.0
137.09688	5.0
142.07750	3.3
143.08591	10.2
145.04916	5.9
145.10112	20.5
147.04407	12.7
147.08067	9.4
147.11688	8.6
148.04747	3.0
149.09647	8.5
149.13255	8.4
151.11150	5.2
153.09085	2.6
153.12709	4.7
155.08524	3.4
157.06482	2.9
157.10120	8.8
159.08043	5.4
159.11688	13.3
161.09595	8.8
161.13229	3.7
163.03899	3.6
163.07597	2.8
163.11166	15.4
165.09181	2.3
165.12796	2.8
167.07014	2.4
169.10155	4.7
171.11554	4.3
173.04362	2.9
173.09621	4.7
173.13257	4.1
175.11160	6.4
177.05551	2.3
177.12785	9.8
179.08533	2.2
182.15543	2.5
184.07433	5.8
185.13326	3.6
187.11143	2.5
189.09506	2.9
189.11230	11.5
189.12782	4.1
191.10759	4.4
193.12247	8.9
195.13873	4.7
197.13287	2.5
199.14854	5.8
205.12340	3.9
205.16028	2.2
210.14781	3.2
217.15907	10.3
223.13243	3.5
227.12798	7.4
233.15321	11.9
239.16325	4.3
245.13905	4.1
245.19087	7.0
251.16396	2.5
255.17575	3.8
255.46829	2.5
267.16000	3.9
269.17474	31.9
269.20169	3.1
273.18478	44.3
283.15427	4.2
285.16852	3.1
291.19534	53.3
295.18863	2.4
297.16986	6.8
307.19177	4.7
309.20560	8.7
325.20172	5.3
347.22208	17.3
360.87976	2.2
365.23203	100.0
383.24295	48.1
407.24564	2.2
418.12802	2.4
527.28400	3.0
580.35297	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	579.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01873	6.8
55.05265	2.4
55.05517	40.7
57.03444	13.3
57.07078	3.5
59.04978	2.7
65.03938	5.6
66.21151	1.6
67.05509	100.0
69.03442	4.2
69.07076	23.5
69.46173	13.7
71.01361	1.9
71.04984	7.8
77.11798	1.8
79.05497	53.3
79.82316	1.7
81.03408	10.8
81.07064	71.0
83.04980	8.0
83.08622	20.1
85.02909	5.6
85.06550	4.8
90.68256	1.7
91.05485	39.0
93.07050	64.0
95.04975	13.4
95.08612	48.6
97.06549	11.5
97.10176	14.5
105.03398	8.3
105.07040	29.3
107.04953	4.8
107.08603	35.7
109.06515	6.7
109.10162	52.9
111.08089	7.8
115.05447	2.2
117.07012	14.2
119.08595	29.7
121.06480	4.4
121.10152	38.2
123.08090	4.7
123.11708	7.5
125.09600	12.1
129.07022	7.0
131.08571	23.5
133.10152	20.5
135.08070	3.9
135.11696	21.1
137.09682	4.3
137.13229	2.0
139.11188	11.5
142.07832	1.8
143.08540	3.9
143.10576	2.1
145.06509	2.4
145.10135	18.2
147.08058	3.4
147.11720	14.9
149.09634	6.8
149.13310	11.2
155.08559	5.3
157.10123	10.5
158.84023	2.0
159.11676	12.6
161.09734	2.3
161.13271	7.5
163.11180	9.2
163.14850	2.6
167.10730	3.3
171.11664	4.9
173.09599	3.3
173.11723	9.4
173.13264	9.5
175.11211	4.0
181.12248	4.0
183.11693	3.3
185.13318	3.3
187.14830	6.4
189.11269	2.5
189.12770	2.1
191.10730	2.3
193.12286	5.2
199.13271	3.8
199.14900	3.8
203.12749	3.7
211.13298	9.1
215.18167	1.8
217.14253	2.9
227.12825	6.0
229.14429	12.2
241.14279	2.4
243.21085	3.1
245.13780	10.1
249.14880	1.9
259.20590	3.9
261.22226	13.5
266.97421	2.1
267.16013	4.7
277.21677	7.8
285.22153	2.2
297.22385	2.8
301.16513	11.7
301.21570	2.2
303.23233	4.7
315.23172	2.5
327.23514	2.9
333.24353	1.9
335.25897	23.8
351.25027	2.4
363.25305	7.3
423.32437	2.0
451.32217	2.9
469.32980	5.2
487.33755	5.4
489.35843	42.3
525.35834	6.0
543.36877	21.7
561.29559	3.4
561.37872	42.1
579.38812	30.2
592.97461	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01877	8.1
55.05266	2.4
55.05511	22.1
57.03436	14.0
59.05008	2.5
60.04523	2.9
60.69758	1.5
61.02926	9.3
67.05172	2.9
67.05506	41.3
69.03422	7.9
69.06723	2.2
69.07071	30.5
71.04995	11.4
73.02911	4.1
79.05492	39.1
80.85299	1.4
81.03416	17.2
81.06577	3.3
81.07058	61.2
83.04987	11.8
83.08609	16.3
85.02914	15.1
85.06545	4.5
86.09720	2.1
91.03938	4.7
91.05488	24.0
93.07044	34.6
95.04970	16.6
95.08614	21.2
97.02916	9.8
97.06527	32.7
97.10168	16.9
99.04440	3.7
99.08105	3.1
100.11255	5.3
103.05475	3.3
104.10732	2.8
105.07037	23.0
107.04962	12.7
107.07945	2.6
107.08595	23.6
109.02866	3.5
109.06518	14.0
109.10159	9.9
111.04438	6.1
111.08083	5.7
113.06028	3.1
115.05456	2.9
115.07561	14.8
117.07011	14.3
119.04936	3.6
119.08586	21.8
120.08064	1.6
121.06529	7.2
121.10140	13.2
122.06044	3.4
123.04417	1.6
123.08082	17.3
123.11719	2.5
125.09630	18.9
127.03903	4.7
127.07543	2.1
129.06985	6.7
131.04991	1.3
131.07048	3.3
131.08562	16.3
133.06514	2.9
133.10110	14.6
135.08025	10.7
135.11662	9.8
137.05992	5.7
137.09618	7.2
139.11198	1.8
139.58080	1.8
143.08566	6.6
145.04982	2.4
145.06404	2.3
145.10135	15.4
147.04399	2.4
147.08070	8.8
147.11673	8.8
149.09615	6.5
149.13266	7.0
151.03879	2.0
151.11128	1.8
153.09096	3.0
153.12715	3.8
155.08601	3.3
157.10136	6.3
159.08017	3.4
159.11679	11.4
161.09666	9.0
161.13266	1.5
163.11185	16.3
164.06996	3.4
165.09132	4.3
171.11659	5.6
173.06038	1.8
173.09612	5.4
173.11850	2.1
173.13280	2.9
175.11136	6.5
175.99258	1.4
176.07094	1.7
177.05499	2.9
177.12737	7.3
181.10045	2.6
181.12192	4.6
182.15359	1.9
184.07347	4.5
185.13268	3.7
189.11234	13.7
189.12697	3.3
191.10640	6.2
193.12244	7.4
195.11749	1.7
195.13780	3.1
195.38774	1.6
199.11278	1.9
199.14917	2.4
203.14630	1.6
205.12120	1.7
217.15881	8.2
223.13315	4.3
227.12784	7.0
227.17862	3.3
229.14351	1.8
229.62860	2.3
233.15314	4.1
245.13818	3.0
245.18987	4.4
255.17520	3.9
263.19989	3.1
265.07098	1.6
267.15976	3.8
269.17477	29.3
273.18475	34.6
275.06863	2.0
283.15359	2.4
291.19537	57.5
295.74115	1.6
297.16904	2.5
301.16443	2.4
307.18994	6.0
308.10321	1.6
309.20621	6.8
325.19965	1.6
347.22150	10.4
365.23239	100.0
383.24280	56.2
418.22253	2.6
537.39697	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	579.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
53.30962	2.3
55.01867	4.5
55.05513	27.9
57.03431	8.8
57.07064	5.9
59.04982	2.5
65.03947	5.3
67.05505	100.0
67.52294	2.3
69.03439	5.1
69.07063	20.8
71.04988	5.9
71.60269	2.6
71.60623	2.2
73.02932	4.3
79.05056	4.2
79.05492	52.9
81.03407	13.8
81.06582	4.5
81.07061	93.7
83.04979	6.0
83.08611	15.0
85.02901	5.3
85.06535	5.6
85.10262	2.8
91.05473	37.2
93.07043	58.9
95.04962	10.0
95.08609	80.2
97.02859	3.3
97.06521	7.3
97.10165	11.7
97.55421	1.9
98.98474	10.4
99.04401	3.2
99.08097	3.6
102.21555	2.1
105.07040	27.1
107.07880	2.9
107.08594	48.8
109.02879	8.4
109.06524	5.8
109.10155	42.3
110.03711	2.4
111.04438	4.7
111.08055	3.8
117.07037	15.4
119.08569	24.1
120.68507	2.6
121.06484	2.8
121.10141	35.5
123.08079	4.5
123.11707	22.2
125.09621	7.3
127.03922	4.3
129.07010	5.1
131.08586	28.1
133.10121	21.9
135.07988	3.0
135.11685	28.2
137.09677	4.8
137.13246	7.1
139.11188	3.5
143.08549	5.1
145.10126	21.5
147.11696	18.4
149.09583	7.3
149.13280	16.2
151.11151	3.0
151.14894	3.1
155.01045	7.4
157.10139	6.2
159.11690	17.8
161.13206	12.6
163.11183	4.2
163.14787	12.4
165.12834	3.1
171.11673	3.5
173.11847	4.6
173.13223	18.5
174.24072	2.3
175.11169	3.9
175.14705	3.1
177.16354	4.7
185.13206	2.3
187.14819	10.0
189.11189	3.2
191.10826	2.6
201.16379	2.5
202.50290	2.4
209.01242	2.8
211.13266	4.5
229.14362	5.9
233.22598	3.2
243.21115	32.1
245.13509	2.3
259.20593	2.5
261.22150	96.8
261.72342	2.2
263.23636	6.0
267.15988	3.2
279.23157	7.9
301.16537	4.3
303.23151	3.6
317.06378	2.3
317.24762	2.8
335.25735	24.7
337.27380	8.3
346.18973	2.1
351.25607	3.5
353.26892	89.3
363.25229	5.2
443.27475	3.1
469.22870	2.9
489.35968	3.8
525.35559	3.3
543.36450	11.4
561.27228	7.1
561.37524	22.7
579.29730	3.5
579.38348	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	579.3896
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03935	6.4
55.01870	5.4
55.05298	3.6
55.05516	42.0
56.13586	3.2
57.03431	13.6
57.07078	4.6
58.90179	4.0
65.03942	4.1
66.07935	3.1
67.05505	100.0
69.03426	4.6
69.07061	25.9
70.18608	8.3
70.19020	10.1
71.04984	5.7
77.62196	3.5
79.05501	53.6
81.03427	9.4
81.07060	80.3
83.04974	13.4
83.08625	21.9
85.02921	3.5
85.06547	5.5
91.05476	50.1
93.07045	65.0
94.07336	4.7
95.04968	15.7
95.08606	55.8
97.06519	14.1
97.10152	12.3
99.04478	4.0
100.34560	4.0
105.07039	26.4
107.04985	4.9
107.08600	45.8
108.08922	3.8
109.06525	8.4
109.10157	39.5
110.90733	3.7
110.92794	3.5
111.08073	4.6
117.07050	16.1
119.08613	29.5
121.06484	6.9
121.10126	34.0
123.08092	7.6
123.11729	5.6
125.09625	15.5
129.07004	8.3
131.08566	21.1
133.06442	3.6
133.10170	23.1
135.08054	4.5
135.11702	22.9
137.09654	3.8
139.11159	6.6
143.08559	9.6
145.10138	26.0
146.10507	6.2
147.08012	6.4
147.11728	18.2
149.09583	9.9
149.13226	6.9
151.11244	4.7
155.08559	6.5
157.10149	8.5
159.11694	12.1
161.13246	3.7
163.11186	13.5
169.10138	3.7
171.11673	6.3
173.09674	3.8
173.11768	5.9
173.13261	6.1
175.14815	3.5
181.10223	4.7
185.13257	5.9
187.54771	3.8
189.11226	4.7
191.10725	7.3
193.12321	6.2
195.11685	4.6
197.13124	3.9
199.14816	4.7
201.16605	3.9
209.11713	10.8
211.13194	4.2
220.63445	3.5
227.12764	11.0
228.13127	5.5
229.14310	6.5
261.22189	14.0
277.21600	8.6
283.15353	9.5
284.15622	6.5
289.21576	4.7
301.16473	6.3
303.23300	6.0
335.25766	23.6
336.26224	19.0
363.24921	5.6
487.33899	8.2
489.35733	20.8
525.35675	7.4
543.36786	34.4
544.37067	13.4
561.37915	53.8
579.38654	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	578.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01859	1.6
55.05498	0.9
57.03431	1.0
57.07063	1.1
58.99570	1.0
61.02932	0.8
62.70018	0.5
65.71022	0.5
67.05490	2.1
68.58843	0.5
69.03429	40.6
69.07056	2.3
70.50764	0.5
70.99374	1.3
71.04987	1.2
72.08156	0.7
73.02896	0.7
74.16642	0.5
76.02229	2.7
79.05479	1.5
81.02973	0.8
81.03418	6.7
81.07057	3.1
83.04971	2.3
83.08608	1.0
84.08121	0.7
85.02901	12.8
85.06543	1.9
87.00829	3.3
88.03976	0.7
89.07142	1.7
89.95053	0.5
90.05533	1.1
91.03949	0.7
91.05457	3.1
91.12158	0.6
92.57117	0.6
93.07024	3.3
93.07537	0.6
94.09624	0.6
95.08610	6.5
97.02890	5.1
97.06533	2.2
97.49828	0.5
99.04452	2.5
105.00093	1.2
105.01883	2.7
105.07044	2.8
107.04925	1.3
107.08577	8.1
109.02847	5.0
109.06514	3.9
109.10124	1.7
110.06001	0.6
111.04448	0.6
111.08066	1.5
115.03956	0.5
117.03297	0.5
117.07016	0.6
119.08594	3.8
121.06504	2.0
121.09304	1.0
121.10143	10.9
122.02726	8.9
123.08065	1.7
123.11697	6.7
125.09627	11.7
127.03912	8.8
129.01762	0.6
131.08559	4.0
133.10124	3.9
134.05989	1.1
135.08063	7.6
135.11697	4.6
136.06142	1.4
137.06006	1.3
137.09645	0.7
139.03891	0.8
143.08589	1.0
145.02832	1.4
145.04939	3.5
145.10104	2.2
147.11693	2.7
149.09604	5.4
149.13234	2.6
151.07535	4.5
151.11200	1.1
153.09099	5.2
158.10907	2.2
159.02852	2.1
159.11780	0.6
161.09575	1.2
163.11153	2.3
163.14819	4.6
164.03622	0.6
165.12735	2.4
167.05298	0.6
167.10719	1.5
173.13264	16.0
177.05435	2.8
179.10757	1.0
191.14304	59.9
209.15361	100.0
212.03673	0.8
223.11513	2.6
231.04935	1.4
233.92070	0.6
234.93988	0.5
240.10904	1.3
241.12584	2.5
244.17166	0.6
330.17276	5.9
372.17886	0.8
416.16766	1.3
428.11993	1.0
522.61145	0.6
578.23163	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	579.1499
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
55.01864	1.5
56.01052	0.6
57.91344	0.5
61.56231	0.5
65.03941	0.8
67.05495	1.1
68.99783	3.6
69.03403	1.0
71.05505	0.7
71.05839	1.0
71.66199	0.5
79.05492	0.8
81.03422	2.9
83.04972	0.6
84.27579	0.5
85.02902	1.1
89.03966	0.8
89.07153	2.0
93.03392	0.8
95.04967	1.8
97.02917	0.7
99.04487	1.4
105.03416	1.1
107.04938	3.0
109.02885	2.7
111.00809	2.5
111.04486	2.7
116.98630	0.6
117.03389	0.9
119.04922	1.6
121.02869	1.3
123.04426	40.2
127.03917	100.0
131.04938	1.9
135.04416	26.7
137.02344	2.5
137.05936	1.0
139.03900	49.7
141.06949	1.1
143.04907	0.8
145.06458	0.8
147.04399	6.3
149.02336	3.7
149.05972	1.8
151.03931	7.3
155.04921	0.7
159.04430	3.0
159.11787	1.0
161.05972	3.3
163.03909	34.2
165.05492	5.9
167.03401	7.9
167.04726	0.9
169.06520	1.7
173.06020	2.5
175.03864	3.2
177.05438	4.4
179.03397	2.8
179.07158	0.9
181.05038	1.0
181.06631	0.8
183.04419	1.0
185.05875	0.9
186.22418	0.5
187.03830	4.6
189.05476	2.2
191.03404	11.6
193.04941	3.1
197.04199	0.8
197.05878	3.2
201.05475	5.3
203.03410	7.0
203.07054	1.5
205.05031	3.1
207.06573	1.5
211.04013	0.6
213.05524	1.6
215.03474	0.9
215.07011	2.9
217.04984	1.1
219.06538	0.6
225.05522	1.2
227.03624	0.7
229.04973	6.5
231.06572	1.1
233.04428	5.5
238.32666	0.6
241.05110	0.8
243.06509	5.8
245.04480	5.7
247.06024	16.5
251.05502	1.6
253.05032	0.9
255.06499	2.0
257.04465	9.8
259.06015	6.9
261.07648	0.8
269.04538	2.8
271.05997	16.6
273.07565	1.4
275.05502	14.0
283.06064	7.0
285.07541	0.7
287.05490	22.9
289.07086	11.9
291.08630	15.4
299.05466	3.6
301.07074	11.7
303.08643	2.4
311.05228	0.7
327.36902	0.5
409.09195	22.4
411.10840	2.6
421.09146	1.6
427.10306	7.3
435.10678	0.7
439.10233	1.7
579.22052	1.0
599.06451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01857	5.4
55.05261	2.9
55.05512	36.8
57.03442	15.8
57.07069	5.0
59.04992	3.2
65.03939	2.5
66.21944	2.1
67.05506	100.0
69.03418	3.9
69.07069	24.0
69.23105	15.1
69.23534	9.7
71.04998	18.1
79.05495	62.4
81.03423	20.9
81.07063	99.7
83.04975	9.1
83.08630	19.6
85.06524	8.7
91.05484	58.0
91.24183	1.9
93.07046	66.2
94.69483	1.8
95.04980	18.8
95.08614	67.3
96.24272	2.1
97.06539	11.4
97.10185	16.3
99.08080	3.7
103.05458	1.7
105.07037	53.5
107.04919	4.4
107.08601	44.2
109.06492	5.8
109.10154	33.0
111.08089	7.0
115.05434	3.7
116.66158	2.0
117.07017	23.7
119.08582	44.8
121.06487	5.7
121.10152	32.7
123.08078	4.9
123.11687	9.4
125.09657	18.1
128.06227	3.3
129.06996	15.6
131.08580	36.0
133.06471	2.5
133.10143	29.3
135.08051	4.7
135.11676	18.7
137.09624	2.9
137.13266	3.6
139.11154	2.4
141.07008	5.5
142.07782	3.1
143.08571	11.6
145.10138	32.0
147.08018	3.0
147.11693	23.4
149.09590	6.0
149.13261	9.1
151.11134	3.4
155.08543	7.6
157.10167	16.4
159.11699	23.3
161.09554	2.5
161.13287	12.6
163.11212	3.6
165.12714	4.6
169.10115	10.0
171.10342	3.2
171.11653	11.2
173.09680	2.2
173.13260	16.2
175.11212	6.0
175.14827	5.6
177.12802	3.1
181.10120	3.2
183.11662	9.4
185.13197	10.4
187.14835	6.0
189.11249	11.9
189.16312	2.9
193.12177	10.4
195.11752	4.5
197.13202	5.1
199.11224	2.3
199.13194	2.6
199.14836	6.5
201.14766	2.2
201.16466	3.5
209.13261	4.8
211.14894	4.2
213.14738	3.6
213.16525	3.4
223.14853	2.4
225.16458	4.3
227.12758	17.9
229.14450	3.0
231.17567	3.2
239.16335	4.3
243.21115	3.0
247.16756	3.0
255.15813	2.3
259.20557	2.8
261.22107	7.8
267.15918	31.4
285.22083	3.1
287.20193	3.3
287.23666	4.9
289.21622	4.7
295.52194	2.2
299.23547	3.9
301.25195	11.8
303.23196	5.0
315.23053	2.9
317.24756	4.2
323.23700	3.1
324.69986	2.1
333.24384	2.4
335.25851	21.1
339.23288	2.6
345.24414	2.4
355.26178	2.7
359.25601	4.1
363.25284	8.8
373.26871	2.6
417.31506	6.2
435.27408	3.7
435.32578	18.6
453.33676	18.7
471.34766	10.5
501.35504	3.5
509.36285	7.4
527.37366	78.3
545.38348	76.5
546.39081	2.3
559.40137	14.6
577.39325	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01875	11.0
55.05517	44.1
57.03429	9.0
57.07075	6.8
59.05006	3.4
66.39063	2.8
67.05505	96.1
69.03423	6.2
69.07072	26.8
71.04993	5.9
71.58682	3.5
79.05494	58.4
81.03418	5.8
81.07058	96.7
83.04984	12.7
83.08619	27.1
85.06564	4.2
86.79478	2.9
91.05482	47.2
93.07054	64.6
95.04963	12.3
95.08611	68.7
97.02878	5.2
97.06538	8.9
97.10174	28.0
99.00852	6.9
104.22403	2.8
105.07029	54.3
105.07688	5.0
107.04955	8.2
107.08595	35.0
109.02862	10.1
109.06496	4.3
109.10154	37.6
111.04452	5.3
111.08080	5.2
117.06993	19.4
119.08598	32.1
121.06520	5.0
121.10149	33.7
123.08099	4.7
123.11712	16.3
124.59939	2.9
125.09634	19.9
129.06999	10.4
131.08569	28.5
133.10130	44.7
135.08066	7.2
135.11684	26.4
137.06026	3.4
137.09663	3.3
137.13255	6.7
143.08562	14.1
145.06570	3.9
145.10139	30.4
147.08043	3.4
147.11694	19.5
149.09616	5.0
149.13280	13.4
151.11176	9.2
153.12717	4.1
155.08537	8.5
157.10155	9.5
159.07990	3.8
159.11662	17.2
161.09651	13.6
161.13300	11.9
163.11200	12.5
163.14859	7.3
169.10175	6.6
171.08029	5.0
171.11694	8.6
173.13309	11.0
175.14856	4.1
179.10710	6.5
179.14417	4.1
181.12282	4.5
183.11694	7.9
184.07301	5.1
185.13264	8.2
187.11102	3.8
187.14983	4.6
189.09140	6.2
189.11226	9.7
195.11728	3.6
197.13300	4.6
199.14813	4.2
207.10138	3.2
209.13358	5.1
209.15460	3.7
211.14902	5.1
225.11238	11.4
227.12738	19.7
227.17862	3.0
241.19653	5.0
243.21078	7.1
245.70380	3.2
259.20551	7.3
261.22083	35.9
275.09424	3.1
277.21634	11.2
279.23245	6.1
283.15515	6.5
287.23578	5.8
289.21567	3.8
297.21893	4.4
299.14911	29.7
315.23154	16.7
317.24704	4.7
328.74368	3.1
333.24301	11.1
335.25790	32.4
351.25253	4.6
419.63165	3.3
421.30954	9.9
449.30328	8.9
457.33200	8.3
467.31653	25.2
475.34155	4.5
485.32736	22.9
495.34915	4.6
503.33475	4.0
513.35889	20.5
515.37274	4.3
523.34192	5.0
531.37054	25.1
541.35297	81.5
559.36298	100.0
577.12823	5.1
577.37524	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01870	5.6
55.05514	34.5
57.03430	7.8
57.07077	5.2
65.03934	3.5
67.05506	100.0
69.03432	4.6
69.07065	23.2
70.75750	7.6
71.01331	2.5
71.04984	4.5
72.08994	2.6
79.05492	53.9
81.03417	5.3
81.07056	95.9
83.04988	10.4
83.08625	17.1
85.06553	7.9
91.05479	58.7
91.05906	1.5
93.07047	74.6
95.04977	12.3
95.08605	58.8
97.06523	7.0
97.10177	17.0
99.00813	3.8
99.04460	3.2
103.03928	2.8
105.04527	2.9
105.07037	57.6
107.04970	6.2
107.08599	57.4
107.09300	4.6
108.82373	1.9
109.02881	3.6
109.06521	8.2
109.10156	64.4
111.04412	3.7
111.08082	6.5
113.06049	2.8
115.05392	2.8
117.07005	14.0
119.08580	29.7
121.06568	2.7
121.10135	30.8
123.04475	2.1
123.08047	4.8
123.11720	18.2
125.09637	17.1
127.07607	2.6
128.06297	3.0
129.07002	4.2
131.08595	20.4
133.10130	90.3
135.08031	4.6
135.11691	24.5
137.09624	3.5
137.13303	3.7
141.07092	2.9
143.08577	7.6
145.06418	2.4
145.10118	20.6
147.11674	12.5
149.09637	3.6
149.13254	13.2
151.11188	40.1
153.12753	3.1
153.25841	2.1
155.08652	2.5
157.10161	3.5
159.08170	2.5
159.11723	12.1
161.09644	13.5
161.13277	10.3
162.98140	2.3
163.11172	2.5
163.14856	8.5
165.00905	2.0
167.08516	2.4
169.10141	4.3
169.12283	10.2
171.08073	2.5
171.11751	6.2
173.09700	2.9
173.13255	11.8
175.14885	5.0
179.10658	13.6
181.10152	2.8
183.11797	2.5
185.13251	5.9
187.14842	4.8
189.09174	2.9
189.11250	5.2
191.10687	2.6
195.11862	3.2
197.11717	7.0
197.13330	4.3
199.14847	2.9
215.12808	20.9
225.11292	6.4
227.12848	7.9
233.22595	2.6
243.21106	7.2
253.14302	19.4
259.20688	5.2
261.22177	32.6
277.21829	3.3
279.23434	3.6
281.13809	3.6
283.15543	2.3
289.21646	2.7
297.22290	4.4
299.14859	33.5
315.23315	4.8
317.24884	6.0
333.24173	6.2
335.25784	24.1
363.25287	9.2
399.75815	2.4
421.30905	6.4
439.32349	6.6
449.30630	7.6
457.33069	5.9
467.31586	12.0
485.32376	11.1
495.34415	2.6
513.35693	16.2
515.37274	3.4
531.36774	17.4
541.35242	32.0
542.35504	2.6
559.36279	52.0
577.37366	96.6
578.37433	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	577.3736
Annotation	Diosgenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	1.3
55.01871	3.0
55.05496	3.0
57.03440	3.3
61.02930	5.0
67.05499	9.1
69.03416	11.3
69.07070	32.7
70.06583	1.5
70.99500	3.7
71.04977	1.5
73.02929	2.1
73.06560	4.6
77.31935	1.4
79.05507	7.4
81.03406	7.4
81.07051	9.2
85.02905	33.5
91.03930	1.5
91.05470	6.8
93.07060	10.7
95.04977	4.6
95.08601	8.5
97.02899	8.6
97.06529	8.9
99.04452	2.9
105.07025	10.6
107.04983	2.6
107.08583	10.4
109.02883	6.1
109.06506	9.8
109.10165	11.2
112.57359	1.2
115.05377	1.4
115.07568	16.6
117.07029	3.1
119.04941	1.9
119.08610	6.4
121.06487	1.8
121.10143	16.6
123.11693	2.2
125.09629	2.4
127.03915	11.4
128.06235	1.9
129.07013	3.2
131.08586	8.5
133.10141	15.7
135.11668	4.1
137.05995	2.0
137.09552	1.6
142.07756	1.8
143.08569	5.4
145.04964	3.9
145.10124	12.0
147.04390	3.9
147.11696	16.4
151.11186	3.3
157.10136	32.4
159.11691	16.7
161.09715	1.7
161.13307	2.6
163.11195	2.5
167.10664	8.3
171.11717	8.3
173.13277	3.6
175.11133	7.8
177.12779	1.6
183.11702	3.7
185.13217	2.7
197.13274	5.9
211.14844	5.4
225.16415	3.1
253.19510	53.3
254.20213	1.6
255.21107	1.5
271.20563	100.0
272.20837	1.7
283.24130	6.1
397.31372	1.3
401.12442	2.1
415.32083	63.3
433.25812	6.3
536.53418	1.3
577.37335	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01873	7.4
55.05511	25.0
57.03438	5.4
65.03928	5.0
67.05513	93.1
69.07071	25.3
70.60359	15.7
79.05503	45.1
81.07059	80.5
83.05032	5.4
83.08612	14.0
91.05472	48.4
93.07047	51.5
95.04990	7.9
95.08614	52.0
97.06548	7.1
97.10174	9.1
105.07037	51.2
107.08595	45.8
109.06496	9.6
109.10166	56.8
117.07010	18.6
119.08614	25.3
121.10170	24.3
123.11695	10.7
125.09637	5.9
129.07004	4.7
131.08582	15.0
133.10124	66.3
135.08046	6.3
135.11703	20.6
143.08536	5.8
145.10164	19.7
147.11707	10.7
149.13246	10.1
151.11169	27.5
157.10237	5.5
159.11699	9.1
161.09596	6.2
161.13260	8.1
163.14798	6.8
169.10114	4.7
169.12305	14.0
173.13284	11.1
179.10765	8.1
181.82527	5.7
187.14763	7.3
204.08183	4.4
215.12833	15.2
243.21062	9.2
253.14363	10.3
261.22125	31.0
281.13980	7.4
299.14938	26.6
315.23193	7.1
335.25815	20.0
425.23111	5.2
523.34583	5.7
531.36450	14.1
541.35083	18.1
559.36096	27.3
577.19348	6.2
577.37329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	1.9
55.05509	3.8
57.03432	4.0
61.02925	3.8
67.05501	8.5
69.03429	10.6
69.07067	30.5
70.06575	0.8
71.04988	3.1
73.02920	1.5
73.06551	3.6
79.05495	6.3
81.03423	6.3
81.07047	10.8
83.08619	1.0
85.02904	29.7
86.09718	1.1
87.04446	2.1
91.03950	2.7
91.05453	6.1
93.07037	10.0
95.04975	2.4
95.08601	9.9
97.02886	9.4
97.06519	9.8
99.04437	2.4
99.08085	1.0
105.07032	9.5
107.04952	2.1
107.08589	13.8
109.02871	3.8
109.06503	10.8
109.10144	11.8
111.08075	1.2
115.07559	15.2
117.07021	4.0
119.04975	1.7
119.08572	7.7
121.06466	1.0
121.10142	17.4
122.06011	1.1
123.11720	3.0
125.05926	1.4
125.09622	2.3
127.03920	8.0
127.11258	0.9
129.07005	3.8
131.08574	10.0
133.10132	14.5
135.11667	5.1
137.05969	2.8
137.09642	1.4
141.06982	1.4
142.07753	3.8
143.08556	8.4
145.04964	4.6
145.10110	12.4
147.04430	2.8
147.07982	1.0
147.11676	18.0
147.12784	1.3
149.09633	2.5
149.13249	1.3
151.11215	2.0
155.08551	1.5
157.10132	35.5
159.11684	20.9
161.09662	1.3
161.13283	3.8
163.11215	3.3
165.09128	0.9
165.12706	1.0
167.07040	1.0
167.10667	9.0
169.10139	2.6
171.11681	7.3
173.13191	4.5
175.11157	7.8
177.05513	1.4
183.11694	6.0
184.07373	0.8
184.12376	0.8
185.13283	4.5
187.14760	1.0
197.13292	7.4
211.14850	6.0
213.16417	2.3
215.38281	0.8
223.55725	0.9
224.15575	2.4
225.16356	4.2
238.17181	2.5
253.19504	58.9
254.19872	1.6
271.20557	100.0
272.20844	1.3
283.24170	4.4
351.95950	0.9
355.07492	1.2
379.29620	0.9
381.22562	1.9
397.31030	2.2
415.32062	59.7
416.32144	1.1
431.13715	1.3
433.25604	3.5
541.35370	1.2
577.29376	1.6
577.37488	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01878	2.3
55.05503	4.4
57.03435	1.7
57.07076	2.0
59.59139	1.4
60.55803	1.2
61.02913	2.3
65.03933	2.7
67.05516	7.5
69.07059	2.4
70.84602	4.5
70.84978	1.8
79.05489	9.8
81.03408	3.5
81.07064	9.9
82.61854	1.4
82.77191	1.8
83.04975	2.0
83.08624	2.2
85.02903	4.1
91.05468	11.7
93.07064	7.5
94.04183	4.2
95.04958	4.8
95.08617	5.7
97.06509	3.0
97.10168	1.8
98.07326	1.3
103.05473	13.6
105.07040	12.7
107.04964	31.6
107.08605	4.9
107.49687	1.5
109.06556	2.9
109.10166	3.4
111.04435	2.1
115.05448	4.0
117.06989	10.4
119.04903	1.7
119.08585	5.5
121.06493	3.5
121.10149	3.1
122.03664	8.5
123.04467	2.4
123.08031	2.1
124.35498	1.6
128.06200	2.7
129.07014	3.9
131.04922	21.1
131.08566	4.3
133.06512	8.6
133.10139	3.3
135.04390	5.5
135.11732	2.2
137.05981	100.0
141.07004	3.2
143.08496	1.8
145.06525	10.9
145.10138	1.8
146.03638	3.2
147.08020	3.3
149.02339	2.5
151.07582	2.3
152.77563	1.4
153.05486	4.9
153.06943	3.5
154.07832	1.8
155.04913	2.8
155.08569	7.7
157.06517	5.2
157.10068	2.1
159.08104	3.2
161.05981	14.5
161.09644	1.7
163.03912	15.1
163.06273	3.0
163.07550	34.4
165.06976	3.2
167.07040	15.4
167.08446	2.3
169.06506	5.3
171.08000	2.4
172.05179	1.6
175.07553	6.6
177.09116	17.3
179.07025	6.1
179.08455	1.8
180.07886	2.9
181.06502	5.3
181.08568	2.0
182.07088	1.8
183.08044	17.5
184.08778	3.7
185.06027	2.9
185.09589	4.0
187.07530	15.6
189.09096	6.7
191.07031	3.2
193.04987	2.4
193.08624	4.4
195.06520	6.2
199.07582	6.4
201.09093	9.4
203.10719	1.9
205.08646	1.7
207.08102	1.5
211.07655	4.0
213.09055	9.0
214.09895	7.7
215.10666	36.1
217.12254	1.6
221.06053	2.2
223.07562	2.5
231.10107	3.1
235.07693	2.1
239.10681	2.8
242.39610	2.1
245.09648	3.0
249.09128	2.2
251.07082	2.5
251.10574	1.7
263.10660	1.9
264.07846	1.9
275.07132	1.7
277.08691	2.8
277.12045	2.6
278.09454	3.3
282.13199	1.6
283.09531	1.7
285.11505	2.0
292.07233	1.7
293.08081	2.0
294.12399	2.8
295.09857	1.8
295.13245	2.7
305.11795	4.0
307.09659	4.4
309.11401	2.6
309.14944	2.9
313.10886	2.2
315.12305	8.9
323.09305	1.8
323.16257	2.4
335.12512	1.7
337.14398	20.0
339.12366	20.6
341.13922	12.6
355.15555	2.5
363.15836	5.8
485.19519	3.1
517.22559	9.1
541.35162	1.9
559.35864	3.9
577.12598	3.9
577.22906	2.7
577.30676	2.4
577.38129	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	577.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05476	0.9
57.03411	0.4
57.07019	0.3
67.05502	2.0
69.07018	0.8
71.58925	0.5
79.05448	1.1
81.03374	0.5
81.07051	1.7
83.08591	0.5
85.02853	0.4
91.05438	1.2
93.07043	1.8
95.04911	0.8
95.08547	1.1
98.98446	0.5
104.28782	0.3
105.06991	1.4
107.04875	0.6
107.08531	1.3
109.02798	0.4
109.06507	0.4
109.10111	0.8
109.92873	0.3
117.06989	0.5
119.08528	1.2
121.10105	0.6
125.09564	0.6
131.08527	0.6
133.10092	1.1
135.11652	0.8
137.05908	0.3
143.08533	0.4
143.50389	0.3
145.10083	0.5
147.11646	0.5
155.00989	0.8
159.11623	0.6
161.13326	0.3
173.13176	0.5
177.97508	0.3
179.14320	0.4
181.06516	0.6
182.80109	0.3
182.82191	0.3
189.07002	0.4
190.07690	0.4
191.08501	0.8
195.07999	0.8
202.07764	0.4
205.06461	0.6
207.08116	0.5
218.07291	0.6
219.08070	1.5
221.05742	0.4
223.07536	1.5
229.06407	0.3
231.07996	1.7
233.05959	2.7
237.09111	2.6
241.06442	0.7
241.19350	0.4
242.07153	0.4
243.21091	0.4
245.05966	1.9
247.07532	15.1
253.19537	0.6
257.05927	0.7
258.06757	4.3
259.07428	0.8
261.05392	0.4
261.22095	0.7
262.06131	0.7
269.05942	1.1
270.06754	1.8
273.05423	6.6
273.18262	0.3
277.21674	0.3
285.05441	1.9
299.14905	0.3
313.04901	2.3
335.26041	0.6
353.09576	0.6
366.10046	0.5
382.09930	1.1
399.11819	0.5
400.12286	0.5
403.11191	1.0
410.09265	0.8
411.11563	0.6
413.13312	0.5
414.10245	0.5
416.11841	0.6
417.12717	0.7
418.13544	0.9
419.14468	0.9
427.11032	1.1
428.11719	0.7
429.12634	2.9
430.13501	0.7
431.14539	0.4
431.73996	0.3
432.11505	1.3
433.12164	0.9
438.09088	0.8
439.10977	0.9
440.12021	1.1
441.12515	0.8
443.10767	0.8
445.12289	2.8
446.13309	1.6
447.14005	2.5
448.10925	0.7
449.16177	0.3
454.08224	0.3
455.10742	0.6
456.11273	2.4
457.12204	4.3
458.12949	3.6
459.13861	1.0
460.10538	0.5
461.11996	0.9
467.10583	1.1
469.12250	1.2
473.11816	1.5
474.12469	4.4
475.13382	6.0
477.14844	0.8
480.11795	0.4
484.10880	1.3
485.11719	5.5
486.12326	2.6
487.13226	3.7
489.11389	1.0
493.14172	0.5
496.11246	0.9
497.12012	0.5
498.12595	1.0
501.11447	1.6
502.12079	3.5
503.12787	11.3
505.14310	10.2
512.10419	0.7
513.11224	9.1
514.11780	2.1
515.12756	4.0
516.13538	2.7
521.13684	0.6
529.10706	0.9
530.11389	1.0
531.12262	100.0
532.12927	1.5
533.13831	10.5
541.34985	0.5
549.05646	0.3
549.13263	8.8
559.11896	0.6
559.36169	0.8
577.12781	76.4
578.12891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.3
57.07073	69.4
61.28937	4.4
67.05516	36.5
69.07072	70.9
71.08633	68.1
71.57661	6.3
81.07052	73.4
81.29875	4.3
83.08624	52.8
85.10178	52.0
95.08057	8.4
95.08615	100.0
97.10170	77.1
99.11737	12.7
104.84586	5.4
107.08540	6.9
109.10162	61.7
109.10858	8.1
111.11723	72.6
113.62222	5.2
123.11724	32.3
125.13267	40.9
127.14846	5.9
137.13228	24.1
139.14847	9.0
151.14789	20.1
153.16348	8.7
155.17964	6.1
165.16380	22.9
179.17847	7.6
193.19528	9.6
228.38205	4.8
291.30396	6.0
315.06213	4.6
333.34875	5.4
339.17169	5.1
351.68433	4.5
435.39423	5.1
546.55066	4.8
557.60284	45.4
575.41199	8.2
575.49762	15.9
575.60974	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3537
Annotation	Angeloylzygadenine
Peak:m/z	Relative Intensity
52.55099	0.6
55.05510	2.2
56.05048	0.9
64.84786	0.5
67.05507	5.9
69.07069	4.7
70.72079	2.0
71.84399	0.6
74.20543	0.6
79.05513	3.0
81.03423	2.6
81.07049	3.3
83.08636	1.2
85.02904	0.8
91.05459	3.1
93.07022	1.9
93.08678	0.7
95.04974	1.6
95.08608	2.3
97.06539	2.0
97.10183	1.4
100.23402	0.6
105.07040	1.2
107.04958	3.0
107.08607	1.3
109.06538	0.8
109.10166	2.2
113.97508	0.8
117.07003	1.4
119.08588	1.9
120.08085	1.0
121.10149	0.8
122.05984	1.0
125.09586	1.1
129.06944	1.1
131.08571	1.8
132.05705	1.1
133.10156	1.4
137.05986	2.7
137.09625	1.2
143.08572	1.4
145.06442	0.8
146.06009	1.4
147.06815	6.6
147.07919	1.0
148.07584	5.1
148.11162	1.2
149.05981	1.2
149.09644	1.9
149.12022	2.9
159.08099	1.2
160.07623	0.7
160.11351	1.3
160.17499	0.7
161.06012	1.3
162.05489	0.8
164.07123	1.7
171.08125	0.9
173.06032	0.8
173.11821	0.8
174.09148	1.8
175.07549	1.1
176.07082	37.5
176.10686	18.0
177.07867	8.3
177.11514	7.0
188.10719	1.8
189.09084	0.8
189.11462	1.7
190.08633	4.1
204.10211	13.9
205.10992	63.7
206.11765	10.8
214.08690	2.2
215.10864	0.8
216.10167	1.0
226.12349	0.8
229.10945	7.6
230.11641	0.6
233.11763	0.7
244.13359	1.4
249.13553	3.1
250.14473	0.9
267.14520	1.1
270.18625	0.9
272.53726	0.6
273.13589	3.4
291.14685	7.8
291.19583	1.2
324.19586	6.9
336.62573	0.7
342.20718	1.2
360.21808	1.4
368.22122	3.2
398.23373	0.8
414.51794	0.8
416.24200	0.9
468.31155	0.9
472.26617	0.7
485.27695	2.2
496.30688	4.2
504.20242	0.6
514.31671	100.0
515.31702	2.0
540.33630	1.6
558.34283	63.0
559.34479	1.4
576.35474	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	575.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.8
55.01874	7.1
55.05512	38.8
57.03433	9.1
57.07078	4.9
57.45929	2.7
67.05175	4.9
67.05511	69.0
69.03444	5.8
69.07077	26.2
70.77454	7.4
71.04992	11.1
79.05499	52.1
81.03404	11.1
81.07066	62.7
83.04976	10.0
83.08610	20.8
85.06532	6.1
91.05486	45.3
92.05814	3.0
93.07051	58.1
95.04980	16.7
95.08060	4.0
95.08617	51.5
97.06522	8.9
97.10163	18.7
99.08093	6.3
103.92091	3.6
105.07026	44.2
107.04968	9.3
107.08598	34.9
109.06534	10.3
109.10175	24.7
111.08104	7.4
115.05458	4.3
117.07016	25.4
119.08576	35.8
121.06486	4.3
121.10138	26.4
123.08102	5.8
123.11700	4.3
125.09644	17.3
128.06241	5.4
129.07014	17.7
130.07751	3.5
131.08575	32.0
133.10123	23.4
135.08072	9.3
135.11742	11.5
137.09631	3.5
141.06990	5.0
142.07809	3.2
143.08632	17.5
145.06496	4.4
145.10146	23.9
146.85800	2.8
147.08066	6.4
147.11699	11.8
149.09615	10.3
149.13257	4.3
151.11186	3.6
153.07147	3.1
155.08549	11.1
157.10139	18.1
159.08154	4.1
159.11714	17.8
161.09613	4.2
161.13286	4.4
163.11119	6.0
163.74191	2.7
167.08586	3.6
169.10138	14.6
171.11732	11.5
173.13257	15.6
175.11308	3.9
179.14342	5.2
181.10205	5.8
183.11678	15.7
185.09688	4.0
185.13295	7.2
187.11172	5.1
187.14828	5.1
189.11295	5.8
195.11729	9.9
197.13292	8.9
199.14867	5.1
209.13397	6.2
211.13290	3.6
222.58820	3.3
223.14922	3.6
227.12695	17.1
231.08057	6.3
235.16960	3.6
258.06918	4.3
259.07565	18.3
273.18597	4.0
275.20239	6.5
277.21869	3.8
285.22256	5.9
287.07101	5.5
291.19547	3.8
293.21613	4.2
299.23822	9.5
421.26007	6.0
433.30936	16.2
436.10971	3.5
451.32187	9.0
469.32904	7.8
473.15775	5.6
499.34225	3.9
501.15079	7.5
507.34882	8.8
511.13593	7.0
517.35266	23.4
525.35797	48.2
529.14594	6.8
539.12793	3.7
540.13312	4.8
543.36823	57.4
544.37286	3.6
557.14349	4.1
557.38977	26.2
558.14557	9.2
575.14935	100.0
575.38599	38.1
576.15253	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	575.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69844	0.3
60.68903	0.4
67.05470	0.4
69.03388	1.2
69.03755	0.4
69.07053	0.5
69.28056	1.4
69.28470	2.8
70.06564	0.5
79.01573	0.5
79.05478	0.8
81.03388	1.3
81.07014	0.8
83.01098	0.7
85.02872	1.5
86.06038	0.4
91.05475	0.9
95.31804	0.4
97.02853	1.2
97.06494	0.5
99.04424	0.7
105.07019	0.8
106.38658	0.4
107.08556	0.6
109.02845	1.4
109.06381	0.4
109.10132	0.7
111.04441	0.4
121.10091	0.6
123.60034	0.4
127.03882	1.6
127.38634	0.4
137.05934	0.5
139.03659	4.4
145.04912	0.5
147.04379	0.8
153.01581	4.5
159.11636	0.7
184.07298	0.6
187.11165	0.4
204.16989	0.4
209.04269	0.7
227.05225	1.1
232.54855	0.4
249.02953	0.4
252.26564	0.4
269.06326	64.7
270.06616	0.9
287.07343	4.0
291.06598	0.5
292.06824	0.8
329.08441	21.7
330.09039	0.5
371.09470	2.7
575.15839	100.0
576.16187	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	575.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.7
53.03956	5.4
55.01861	19.5
55.05507	43.9
57.02476	2.4
57.03435	19.4
57.07059	2.5
65.03947	3.9
67.05502	69.2
68.71463	2.3
69.03438	11.6
69.05865	2.9
69.07072	33.9
71.04990	10.5
71.32317	5.6
73.02927	3.2
79.05493	66.7
81.03419	60.9
81.07056	87.2
81.07523	5.0
83.04974	20.3
83.08615	27.6
85.02899	6.5
85.06547	4.0
87.02740	2.4
91.05481	46.5
93.07040	45.5
95.04967	39.2
95.08604	30.0
97.02902	6.1
97.06525	18.6
97.10165	28.8
99.04446	3.0
99.08118	8.5
103.05522	3.0
105.07031	45.4
107.04943	26.4
107.08598	31.8
109.02887	3.5
109.06501	17.9
109.10159	20.3
111.04444	15.7
111.08102	11.9
113.05952	3.1
115.05498	6.0
117.07013	22.5
119.04960	4.9
119.08576	33.2
120.25694	2.7
121.06503	17.1
121.10162	17.2
123.04477	3.1
123.08073	23.6
123.11704	4.5
125.09622	21.4
127.07619	3.0
128.06248	5.6
129.06996	19.6
131.04947	5.2
131.08566	28.6
133.06537	11.6
133.10132	16.1
135.04422	2.6
135.08044	12.6
135.11705	10.5
136.84425	2.6
137.06047	9.7
137.09676	8.0
141.07013	4.0
142.07838	3.3
143.08560	14.4
145.06534	9.9
145.10118	27.9
147.04460	3.7
147.08090	12.0
147.11656	13.2
147.88564	2.4
149.09618	13.2
151.11272	3.0
153.09140	7.0
153.12822	7.4
154.07880	2.6
155.08629	8.0
157.06500	3.4
157.10114	18.1
159.08080	10.3
159.11751	9.1
161.06018	6.1
161.09657	11.0
161.13345	4.0
163.07553	3.3
163.11194	16.1
165.09184	5.5
167.08582	4.1
169.10191	8.0
171.08168	4.5
171.10387	3.2
171.11752	8.2
173.09682	9.1
173.13232	5.8
175.11259	10.1
177.12860	3.8
181.10101	5.1
181.12242	5.2
183.08252	3.1
183.11749	6.8
184.09012	3.3
185.09654	6.4
185.13206	5.3
187.11168	3.9
189.09668	3.8
189.11288	18.0
189.12817	4.9
191.10712	6.2
193.12250	23.0
195.11684	3.1
197.09700	4.7
199.11218	3.6
201.12849	4.8
203.10776	3.0
209.11604	3.4
211.11272	3.8
213.12679	3.5
219.13817	22.6
220.70389	2.7
223.13255	4.2
227.12663	18.7
245.19080	2.9
257.18771	2.9
267.15860	27.6
273.18500	20.3
275.20129	4.9
283.15482	5.0
291.19519	52.3
291.22452	4.0
295.20697	4.7
297.18622	3.8
309.20618	5.5
313.21640	5.0
315.19751	3.1
323.20068	4.5
329.21347	5.0
341.21255	5.3
345.20547	3.6
347.22311	7.3
359.22198	4.3
365.23306	13.3
367.23047	4.0
398.13004	3.7
403.24976	5.9
415.25214	3.6
433.25964	11.9
447.28699	15.0
450.67911	2.6
465.30087	19.7
483.31073	20.3
501.32446	9.3
515.32599	3.2
521.33551	3.4
529.35175	5.5
539.33655	25.9
557.34741	100.0
558.34821	4.6
575.35980	89.2
576.36426	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	575.1493
Annotation	Anigorootin
Peak:m/z	Relative Intensity
55.01858	0.4
55.05488	0.9
57.03413	0.3
57.07051	0.3
67.05508	1.8
69.03397	0.2
69.07069	0.3
69.98380	0.7
69.98809	0.7
79.05478	1.6
79.33052	0.2
81.03406	0.4
81.07055	2.2
83.08601	0.4
85.02864	0.2
85.16302	0.2
87.13526	0.2
91.05492	1.3
93.07048	1.3
95.04959	0.3
95.08606	1.2
97.06525	0.4
98.20715	0.2
105.07042	1.4
107.04943	1.4
107.08619	1.0
109.06444	0.2
109.10117	0.8
117.06961	0.4
119.08578	1.3
121.10125	0.5
123.08044	0.2
128.06282	0.3
129.06985	0.4
131.08556	0.7
133.10097	0.8
135.08026	0.3
135.11679	0.6
143.08534	0.5
145.10091	0.6
147.11679	0.4
157.10124	0.3
159.11713	0.2
161.13277	0.4
163.11180	0.4
171.11708	0.3
175.14912	0.2
191.08571	0.4
202.07794	2.7
203.08565	3.4
213.06967	0.7
215.08533	0.8
219.08051	0.5
225.11040	0.3
227.12819	0.5
231.08063	24.3
232.08475	0.5
233.09560	0.2
235.07510	1.6
241.06502	0.4
241.19566	0.6
242.07321	1.2
243.08063	3.1
245.05919	1.3
246.06763	2.4
247.07527	0.9
253.06429	0.8
255.08018	2.3
258.06784	2.2
259.07553	30.5
259.20444	1.1
260.08026	1.2
263.07028	0.9
269.06003	2.0
270.06622	0.5
271.07516	3.2
273.05484	1.8
273.08633	0.4
275.07187	0.2
275.20142	0.6
283.07416	0.3
284.08145	0.3
286.06174	0.4
287.07028	3.5
289.08621	1.8
297.05490	5.7
299.07114	1.8
299.14880	0.9
315.06573	3.2
319.24353	0.2
333.07813	0.3
333.24283	0.6
336.50247	0.2
379.11139	1.5
390.10556	0.5
395.10611	0.9
406.10022	0.7
407.10693	5.6
408.11359	1.0
421.08466	0.3
429.12628	0.4
435.11292	0.3
437.13220	0.7
440.12027	1.4
441.43161	0.3
443.14413	0.4
448.12735	0.3
453.12753	0.8
454.13589	0.7
455.14404	1.4
464.11996	1.1
465.12888	2.1
466.13336	1.7
469.11893	0.4
471.13992	1.1
472.14569	0.3
473.15421	2.0
481.12677	0.4
482.13077	3.4
483.13858	4.7
484.14670	5.4
486.11981	0.3
489.14737	0.3
491.16800	0.4
493.12427	0.8
495.13931	0.5
499.13251	0.9
500.14047	3.6
501.14859	4.2
510.12363	0.5
511.13440	3.5
512.13989	0.4
521.11957	0.3
529.14392	2.7
539.13037	1.8
539.34045	0.4
547.15015	0.5
555.11798	0.3
556.12567	0.4
557.13812	3.6
557.34766	0.9
558.14154	0.4
575.14899	100.0
576.15289	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.149
Annotation	Anigorootin
Peak:m/z	Relative Intensity
53.03903	1.5
55.01847	1.4
55.05510	3.5
55.18210	0.6
56.50729	0.6
57.03399	1.9
57.07061	0.8
60.61078	0.6
67.05508	5.5
69.03400	0.6
69.07031	2.8
70.11656	2.7
71.04988	0.7
79.05484	5.2
81.03374	2.2
81.07053	6.0
82.84913	0.6
83.04928	1.9
83.08573	2.4
85.06516	0.7
91.03937	0.7
91.05483	5.4
93.07029	4.0
95.04922	2.1
95.08606	3.4
97.02843	1.2
97.06528	1.6
97.10130	1.9
98.20860	0.9
105.07043	3.4
107.04913	1.4
107.08595	3.6
109.06463	2.3
109.10089	2.1
111.04422	0.9
111.08067	0.8
115.05422	1.0
117.06986	2.0
119.08567	3.3
121.06560	0.9
121.10081	2.6
123.08022	1.5
123.11697	0.9
125.09640	1.3
128.06180	0.6
129.07014	1.2
131.08533	1.9
133.06465	0.7
133.10127	3.3
135.08052	1.1
135.11656	1.9
137.05942	2.1
139.11177	0.7
143.08536	1.2
145.10056	2.9
147.07996	1.0
147.11711	0.9
149.09608	1.8
152.23030	0.8
155.08511	0.8
157.10117	1.3
160.57596	0.6
163.11171	1.5
169.10194	0.6
171.11633	1.0
175.11156	0.8
187.94131	0.7
191.08582	0.8
199.11163	1.0
202.07765	7.7
203.08571	8.8
204.08766	0.8
213.07024	1.8
215.08578	2.2
219.07993	1.1
227.12805	1.3
231.08058	53.4
232.08365	1.0
233.09677	1.4
235.07547	2.9
241.06473	1.6
242.07245	8.5
243.08104	3.7
245.05977	2.3
246.06731	5.1
247.07521	0.9
255.07942	0.8
258.06741	7.5
259.07544	100.0
260.07950	3.0
263.06992	1.1
267.15833	0.8
269.06006	3.1
270.06760	9.7
271.07538	5.6
273.09061	3.2
275.07083	1.8
275.20068	2.1
280.35675	0.7
283.15497	1.2
287.07025	53.8
288.07654	3.0
289.08588	23.0
290.08688	0.8
291.19553	1.5
315.06534	3.1
333.07803	1.3
334.20364	0.6
349.23584	0.8
483.13828	0.8
529.14130	0.8
557.13751	4.5
557.34656	4.3
575.14917	66.5
575.34735	5.4
575.50348	1.0
576.15448	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1492
Annotation	Anigorootin
Peak:m/z	Relative Intensity
55.05499	1.1
57.03431	0.7
57.07072	1.3
67.05513	3.3
69.03835	0.6
69.07072	1.5
71.08635	0.9
71.58441	0.9
79.05488	2.1
80.84893	0.8
81.07043	2.4
83.08625	1.2
91.05489	1.8
93.07047	2.1
95.04983	0.8
95.08622	3.2
97.10150	0.9
98.66545	0.6
98.98447	1.0
105.07024	1.7
109.10186	1.1
115.27272	0.6
117.07043	1.0
119.08582	1.4
121.10146	1.0
126.77351	0.6
131.08568	0.9
139.84251	0.6
147.11720	0.7
157.01517	0.8
202.07840	2.0
203.08548	1.5
215.08582	1.0
220.08954	0.7
227.08459	0.9
231.08084	4.5
233.09621	1.1
242.07329	1.5
243.08044	6.5
245.06036	1.0
247.07483	0.8
255.08179	1.2
256.08896	0.8
258.06714	4.1
259.07547	33.3
260.07776	1.0
261.09402	0.6
271.07498	3.4
273.05463	2.3
273.09116	0.8
275.07092	2.0
281.05991	2.2
287.07062	1.2
289.08551	3.4
297.05502	1.2
299.07037	1.7
309.05618	1.0
313.27374	1.9
314.27698	2.5
315.28067	2.3
395.10934	1.0
407.10712	1.0
444.15262	1.0
453.13101	1.0
455.14307	3.3
466.13452	1.3
471.13937	1.7
473.15475	2.8
482.13083	1.6
483.13757	3.4
484.14499	3.6
499.13251	1.7
500.14206	3.4
501.14853	13.3
502.15231	0.9
511.13376	3.8
512.14215	0.7
515.13226	0.9
519.15582	1.2
527.12665	1.8
528.13556	1.3
529.06342	1.1
529.14355	23.8
530.14709	1.4
539.12701	1.5
547.15442	2.2
557.13843	37.9
558.14099	3.2
575.14911	100.0
576.15131	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	575.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05508	1.5
57.07078	0.9
58.27679	0.4
67.05497	1.7
69.07056	1.0
71.08624	0.6
71.32420	0.6
75.10281	0.4
79.05498	1.5
81.07064	2.0
83.08608	0.8
91.05495	1.8
93.07055	1.8
95.04980	0.4
95.08608	1.6
98.98488	1.0
105.07035	1.3
107.04959	0.5
107.08590	1.0
109.10175	0.6
117.07010	0.9
119.08560	0.9
121.06524	0.4
121.10134	0.8
121.54354	0.4
131.08641	0.6
133.10129	0.7
145.10126	0.6
147.11708	0.6
155.01091	0.6
157.10147	0.4
160.88110	0.4
176.32979	0.4
184.07430	0.6
202.07823	1.4
203.08582	1.2
215.08614	1.9
219.07993	0.6
220.08765	0.7
227.08447	0.4
231.08034	4.3
233.09619	0.9
239.08673	0.6
242.07278	2.6
243.08049	9.9
243.10382	0.6
244.08948	0.5
245.06013	1.0
247.07646	1.1
253.06537	0.5
255.08107	1.2
256.08893	0.7
257.06024	1.2
258.06787	3.2
259.07550	24.9
260.08322	1.3
270.07101	0.4
271.07559	3.0
273.05518	1.7
273.09180	1.3
275.07111	2.5
281.06015	2.1
283.07663	0.7
287.07120	1.7
288.20444	0.4
289.08527	1.9
297.05521	1.2
299.07108	1.3
303.06589	1.0
309.05374	0.8
313.27463	1.1
314.27692	0.9
315.06564	0.7
315.28360	0.9
379.11234	0.9
395.10599	0.6
407.10687	1.9
408.11563	0.7
412.99277	0.4
423.10327	0.8
427.14716	0.4
437.13391	0.6
453.12793	0.4
454.13672	0.5
455.14285	3.4
456.15207	0.5
464.11737	0.9
465.12857	0.7
466.13620	1.8
471.13904	1.7
472.14572	0.6
473.15469	2.1
482.13055	1.6
483.13782	5.1
484.14618	4.4
493.12741	0.6
495.13730	0.6
499.13202	2.3
500.14261	4.4
501.14850	13.8
502.15366	0.6
509.11987	0.6
510.12729	0.7
511.13339	4.4
512.14142	0.8
515.12897	0.8
519.15973	2.1
525.36157	0.5
527.13000	1.5
528.13623	0.9
529.14386	23.7
530.14478	0.6
539.12677	1.7
540.13751	0.7
543.36639	0.9
547.15302	2.8
556.13080	1.0
557.13843	39.1
558.14374	1.4
575.14905	100.0
576.15320	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.149
Annotation	Anigorootin
Peak:m/z	Relative Intensity
55.05478	1.8
67.05515	3.0
69.07043	1.0
69.88548	2.7
79.05463	1.6
81.03356	0.7
81.07052	2.7
83.08594	0.7
91.05456	2.3
93.07008	2.5
95.04961	0.7
95.08578	1.7
97.06535	0.9
105.07011	1.5
107.04918	0.9
107.08585	1.2
109.06496	0.7
109.10149	1.0
119.08558	1.5
121.06531	0.6
121.10085	1.2
131.08569	1.0
133.10103	0.9
135.11642	0.9
145.10091	0.6
147.55247	0.6
153.12660	0.7
163.11111	0.9
172.95694	0.5
189.07158	0.6
202.07764	4.8
203.08571	5.7
213.07060	1.0
215.08553	0.8
219.08087	0.6
227.12733	1.0
227.44301	0.6
231.08051	11.2
232.08736	0.9
233.09708	0.7
239.52045	0.6
242.07234	1.7
243.07988	2.0
247.07587	1.5
258.06766	10.5
259.07547	96.8
260.07990	2.9
270.06659	0.7
271.07584	4.4
275.20273	1.3
283.15305	1.2
287.07022	13.6
289.08636	4.0
297.05484	1.1
315.06653	1.2
335.25809	0.7
379.11169	1.1
408.11642	1.1
455.14377	1.2
472.15286	0.9
473.15115	1.8
483.14175	0.7
484.14590	4.0
499.13562	0.9
500.14102	4.2
501.14853	12.7
511.13358	2.7
522.12988	0.7
527.12268	0.8
529.14410	5.3
539.12903	0.9
540.13617	1.5
547.15320	1.0
556.12982	1.7
557.13794	5.0
557.34882	1.1
558.14435	3.5
574.49017	0.7
575.14893	100.0
575.34985	1.9
576.15265	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41238	0.2
56.53672	0.2
70.04052	0.9
81.07059	0.2
107.04939	0.5
107.77403	0.2
124.55928	0.2
155.38953	0.2
202.07747	3.0
203.08534	2.7
213.06866	0.6
215.08493	0.6
219.08031	0.4
231.05719	0.4
231.08054	6.9
232.08727	0.4
233.09544	0.8
241.06689	0.3
242.07268	1.7
243.07932	0.3
247.07523	0.6
255.08096	0.4
258.06763	6.4
259.07547	59.7
260.08054	2.5
269.06274	0.3
271.07538	0.8
283.07391	0.3
287.07001	1.7
289.08521	0.6
297.05438	0.9
315.06485	0.5
379.11148	0.8
392.72720	0.3
407.10785	0.7
408.11438	1.9
429.12668	0.3
443.14514	0.5
444.14932	0.3
453.12564	0.3
454.13644	0.4
455.14255	1.3
458.12991	0.5
463.10046	0.4
465.12030	0.3
466.13770	0.5
471.13998	0.8
472.14755	0.8
473.15411	2.5
482.13071	1.2
483.14008	1.7
484.14572	5.6
484.21286	0.4
485.15436	0.5
489.14850	0.4
491.16641	0.5
499.13171	0.8
500.14008	3.5
500.50116	0.3
501.14880	17.1
502.15521	1.6
511.13205	3.3
512.13953	1.5
513.14990	0.5
519.16193	0.3
522.12592	0.7
523.14044	0.3
527.12671	0.9
528.13348	0.5
529.14343	6.5
530.14722	0.6
538.11993	0.7
539.13098	1.7
540.14026	1.4
545.13934	0.5
547.15747	1.2
555.12299	0.4
556.13348	1.4
557.13794	3.8
558.14661	4.2
559.15326	0.4
575.14886	100.0
576.15118	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	572.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.9
57.07080	41.7
58.39719	1.7
62.47511	1.5
67.05503	5.8
68.56080	1.5
69.07055	5.1
69.36276	16.9
70.67234	1.6
71.08244	2.6
71.08631	38.3
73.06554	7.0
79.05472	3.0
81.07054	5.5
83.08606	5.9
85.10185	30.1
87.04462	7.3
89.06033	100.0
91.05508	1.7
93.07018	2.8
95.08581	6.8
97.10162	4.7
98.21539	3.3
98.98473	13.0
99.11720	2.6
105.07009	2.3
107.07062	5.6
109.02889	2.7
109.10136	3.1
117.09152	7.6
122.94595	1.6
127.40179	1.7
130.08629	4.9
133.08609	57.1
141.16383	5.0
155.01059	11.3
177.11232	20.4
185.18985	5.5
221.13828	5.1
226.21669	2.3
229.21584	14.3
239.14781	2.3
239.23727	2.4
273.24301	8.8
283.17566	2.7
313.27390	62.3
317.06274	2.0
323.88251	1.7
393.23624	2.4
415.25320	7.0
418.53815	1.8
441.03027	1.8
524.39294	1.7
555.40906	15.6
563.17694	2.0
572.44073	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	571.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32921	0.3
53.03926	1.0
55.01865	0.8
57.03428	0.6
61.02921	0.6
67.05494	0.9
68.99773	0.4
69.03434	2.4
69.07053	0.4
71.59511	0.6
73.02911	0.8
75.56767	0.3
79.05491	0.5
81.03413	3.3
81.07043	0.9
83.04962	0.3
83.08588	0.4
85.02908	4.3
85.40674	0.3
86.09735	0.3
87.00826	2.3
89.23160	0.3
90.79049	0.3
91.03945	0.6
91.05492	0.6
93.07053	0.4
93.15304	0.3
95.04953	0.5
95.08588	0.6
97.02916	1.8
97.06515	0.5
98.42892	0.3
99.04441	0.5
105.01844	1.2
105.07003	0.5
107.08605	0.6
109.02869	2.4
109.06501	0.4
109.10117	0.7
117.01951	0.4
119.08659	0.3
121.10124	0.5
127.03933	3.4
137.05951	0.6
145.02850	0.5
145.04967	0.7
145.06490	0.3
147.04547	0.4
159.02916	1.4
171.08025	0.3
175.01569	0.3
177.05478	0.8
184.07346	1.2
203.08502	0.7
213.06993	1.0
231.08044	2.1
241.06519	2.7
242.07265	3.4
259.07538	1.4
269.06000	0.6
270.06787	3.5
271.07520	0.7
277.04150	16.2
281.03696	0.9
287.07108	0.6
295.05341	1.9
305.03638	8.3
323.04697	100.0
324.04950	0.8
329.29214	0.3
337.14740	0.3
349.68420	0.4
570.33307	0.4
571.26917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37225	0.4
53.03939	4.1
55.01867	4.7
56.05062	0.6
57.03429	1.6
61.02917	1.6
67.01875	0.5
69.03427	9.7
70.06581	1.4
70.88731	1.4
71.04989	5.0
74.06037	0.6
74.83800	0.4
81.03413	31.4
81.07056	0.6
85.02902	4.8
96.45509	0.5
97.02885	16.1
99.04452	26.0
101.02357	0.5
105.07095	0.4
109.02873	100.0
110.03209	0.6
115.03919	15.0
120.08123	1.0
123.04446	0.5
127.03910	94.1
133.10109	0.7
137.05969	0.5
137.98999	0.4
139.03883	2.0
145.02907	0.8
145.04951	1.0
169.04950	19.5
177.05466	1.9
187.06007	37.6
229.07042	6.1
247.08121	36.6
257.58862	0.5
271.08121	0.9
289.09161	2.4
291.04871	1.1
302.17624	1.1
316.38522	0.5
321.05856	0.8
346.90726	0.5
363.82318	0.5
390.07910	0.7
391.34189	0.5
407.10983	0.5
408.12881	2.4
508.21924	1.2
552.24017	0.5
570.16077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.5
57.07078	62.8
62.50439	2.0
66.79962	2.0
67.05514	16.1
68.05820	3.0
69.07066	10.4
70.73323	2.0
71.08633	56.9
73.06536	5.5
75.85453	1.9
79.05508	11.3
80.05782	1.9
81.07066	13.9
83.08605	6.7
85.10178	31.6
87.04467	5.5
89.06034	100.0
91.04974	2.2
91.05473	13.9
92.05819	2.4
93.07035	11.8
94.07370	1.9
95.04953	2.9
95.08625	10.5
96.05280	2.2
96.08920	2.1
97.10168	7.6
98.98476	6.3
99.11723	8.4
105.07026	8.4
107.07066	3.4
107.08585	7.8
109.10131	6.3
111.11688	2.9
113.13278	6.2
117.07019	2.0
117.09150	2.6
119.08582	4.6
121.10140	7.0
121.31812	1.8
125.13277	2.1
127.14829	5.0
130.08626	5.0
131.08560	3.9
132.08862	2.3
133.08606	64.0
133.10146	3.3
135.11708	3.5
145.10170	3.9
155.01051	8.5
161.11723	2.5
177.11215	30.6
188.14796	2.3
221.13838	6.7
239.15031	4.1
265.16528	2.2
271.26297	6.0
283.17441	4.9
315.28918	7.9
327.20306	3.5
328.29266	4.2
371.22766	18.2
374.15308	2.1
477.28760	2.2
553.35107	2.7
553.43103	27.6
570.42151	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	570.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01870	4.6
55.05494	2.5
57.50236	1.6
61.02925	4.6
67.05492	3.2
69.03433	11.6
70.06578	5.2
70.32494	2.9
70.32888	4.3
71.04985	4.2
79.05465	2.2
81.03419	27.6
81.07053	4.5
85.02910	9.9
86.09697	2.8
91.05495	5.1
93.07033	2.2
95.04971	2.4
95.08580	3.1
97.02903	14.1
97.06497	1.9
99.04462	24.6
100.11234	2.0
103.03949	2.8
105.07031	2.7
107.04961	2.6
107.08561	2.0
109.02883	68.1
109.10168	2.1
114.54651	2.1
115.03942	11.2
117.03344	2.5
119.08582	1.8
121.06542	1.9
121.10092	3.4
122.06080	2.2
127.03924	100.0
133.06488	2.3
136.07567	2.5
137.05980	4.9
145.02855	7.4
145.04938	5.1
146.03183	3.2
153.16266	1.8
157.14615	2.1
161.05977	2.7
166.08585	2.4
169.04967	14.1
177.05498	16.1
178.05811	7.6
184.07372	4.2
187.06030	38.7
229.07086	19.9
230.27299	1.9
247.08153	34.7
289.09045	2.4
313.52267	1.7
343.17996	1.9
378.10349	2.4
393.09988	3.4
408.12384	25.9
555.19019	2.5
570.17108	13.3
570.24457	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	570.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01879	2.5
55.05518	0.4
57.03434	1.8
61.02921	1.3
67.01886	1.6
67.05519	0.7
69.03432	5.3
70.06596	0.9
71.05000	3.3
73.02914	2.4
79.05501	0.6
81.03423	19.2
81.07054	0.7
82.40526	0.3
83.51308	0.3
84.04449	0.3
85.02913	4.3
86.09737	0.6
91.05502	0.4
93.07059	0.5
95.04973	0.7
95.08612	0.7
97.02898	29.3
97.06538	0.5
98.21529	0.9
98.97546	0.3
99.04460	18.0
103.03947	0.3
105.07061	0.4
107.08546	0.3
109.02886	100.0
109.10155	0.4
110.03235	0.5
111.04436	0.5
115.03929	2.6
117.03404	0.8
117.05521	0.4
119.04920	0.3
119.08592	0.6
122.06046	0.4
127.03928	34.8
135.08090	0.5
137.05981	0.9
139.03935	1.6
141.05473	0.3
145.02884	1.2
145.04967	12.7
146.03145	0.4
147.04431	0.9
164.07104	0.6
169.04961	5.9
176.06998	0.3
177.05499	2.2
178.05843	0.8
187.06017	6.9
190.48108	0.3
205.07086	28.9
229.07095	2.4
247.08151	6.7
268.51157	0.3
273.56400	0.4
295.07672	0.4
302.17419	0.6
321.05725	0.4
331.10339	0.5
393.10001	1.0
408.12390	7.5
429.26666	0.4
570.17389	3.9
570.25140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01868	2.2
65.03941	1.4
68.99779	2.1
69.03436	8.7
70.06580	3.7
70.76216	0.9
71.04967	1.0
71.58881	1.1
71.59276	1.4
79.05497	2.1
81.03422	9.1
83.04986	2.0
85.02908	10.0
85.07690	0.8
85.95473	0.9
87.00824	3.6
91.05487	21.0
95.04934	1.6
97.02914	4.7
99.04443	2.8
105.01873	1.9
107.04971	1.6
109.02880	8.2
110.07153	1.4
111.04458	3.4
113.02362	1.0
113.05965	1.1
115.05492	1.4
118.98157	0.9
119.04955	10.6
120.05678	1.0
123.04437	1.5
123.06810	2.9
125.05982	3.3
127.03912	9.5
128.06212	1.1
129.06981	1.7
131.04945	1.1
133.06509	1.0
135.04385	3.8
136.07555	1.1
137.02364	2.8
137.05981	100.0
138.06351	1.2
139.03902	7.8
141.05463	8.6
144.05711	1.5
145.04980	1.7
145.06506	1.2
147.04382	4.7
151.03786	0.9
153.05481	1.7
154.02557	1.8
154.08636	2.0
157.06441	3.1
158.07254	1.8
159.02899	2.2
161.06009	2.0
161.39665	0.9
163.03917	1.3
164.07095	3.6
169.04988	8.7
171.04393	1.7
172.05182	1.5
174.06853	1.0
177.05417	2.2
181.05202	1.0
183.02968	1.4
185.05951	3.9
187.07533	5.9
194.08070	1.2
195.79083	1.0
199.07516	1.4
200.04700	17.6
201.05469	4.9
201.09093	1.1
203.07054	2.2
212.04619	1.6
213.05467	4.0
214.06334	1.1
215.07042	16.1
216.07748	3.3
227.07051	3.0
228.04135	2.1
229.04990	2.4
230.05708	2.4
231.06631	2.2
232.07191	1.7
241.04974	4.2
243.06554	25.1
244.07198	2.1
244.09714	31.7
245.08018	8.7
259.06061	6.4
260.06796	6.8
272.09189	45.1
273.07581	84.8
274.08063	2.7
274.10812	2.4
276.22952	1.1
287.09186	1.2
290.10236	47.8
291.10718	1.1
304.11807	93.0
305.10074	19.1
322.12869	50.1
322.16708	2.3
332.11417	2.1
380.11258	4.5
384.12839	1.1
393.66675	0.9
398.12473	1.6
476.15744	1.5
484.12039	1.3
502.13187	2.6
520.14685	10.1
538.15613	8.1
552.17291	1.3
570.18103	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	569.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
67.05484	1.2
69.03427	2.4
69.33336	1.6
69.33751	3.9
76.10247	0.5
78.91461	0.5
79.05525	0.7
80.36579	0.5
81.03412	2.7
81.07045	1.4
85.02937	1.1
89.03928	0.6
91.05494	1.7
94.06617	0.5
95.04987	0.6
95.08604	0.7
97.02876	1.9
98.21510	0.9
105.07068	0.7
107.08615	1.0
107.29832	0.5
109.02885	1.6
109.06519	0.5
109.10128	0.7
116.28770	0.5
117.03387	3.8
119.22461	0.5
121.10129	0.6
127.03915	1.5
133.10129	0.6
135.08138	0.7
137.05948	0.6
145.02855	8.4
146.03250	0.5
149.05978	0.7
157.04732	0.6
177.05479	15.8
178.05820	0.5
185.04250	1.9
186.05559	0.6
187.04337	0.5
201.03773	1.2
213.03938	0.7
213.56305	0.5
217.81262	0.5
244.02844	0.5
259.07938	1.2
275.07001	0.8
291.34818	0.5
330.73230	0.5
331.09940	2.4
407.24109	1.7
431.18811	0.7
441.20926	1.0
443.22375	0.6
471.22150	1.4
564.21167	0.6
569.16522	8.8
569.29327	100.0
570.16547	1.8
570.29694	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04977	3.4
55.01860	4.1
55.05511	18.7
66.01820	3.9
67.05511	29.9
69.07061	24.4
70.07910	22.8
72.77095	3.7
79.05502	35.8
81.06734	3.2
81.07066	36.1
83.04998	6.5
83.08617	6.7
83.97234	3.4
91.05489	34.8
93.07041	51.4
95.04978	14.2
95.08607	23.5
97.06510	9.2
97.10152	8.9
105.07047	41.2
107.04961	11.6
107.08581	19.6
109.10174	9.1
113.89618	4.1
116.69767	4.4
117.07024	8.5
119.08589	33.5
121.10155	24.7
123.08010	6.5
129.06975	5.8
131.08611	19.6
133.10133	24.8
135.08041	15.6
135.11658	6.1
139.11171	8.3
145.10136	14.2
147.11707	12.6
149.09554	6.5
157.10178	6.6
159.11681	11.8
161.13239	6.3
171.11766	5.1
173.13303	6.8
191.14343	3.8
203.12827	12.2
237.14795	6.0
259.20593	6.2
268.75180	4.5
275.17255	7.6
275.20096	100.0
276.20871	7.2
277.21625	14.1
293.21072	20.9
444.27951	4.5
551.40210	4.3
569.41907	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	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
67.05500	0.5
69.03427	1.2
69.07067	0.6
69.89709	1.9
79.05495	0.7
81.03401	1.2
81.07045	0.4
81.57890	0.4
83.01102	0.4
85.02901	0.8
89.03916	0.8
93.07109	0.3
95.08604	0.6
97.02912	0.8
98.21426	0.5
107.04996	0.6
109.02875	1.1
117.03392	2.0
117.47228	0.4
127.03909	1.6
133.10147	0.5
137.06010	0.5
145.02838	4.6
149.05957	0.4
177.05475	11.0
184.07339	0.4
185.04225	0.9
186.05400	0.4
201.03557	0.5
203.05299	1.2
220.03516	0.4
236.44823	0.4
243.28705	0.4
259.07932	1.0
331.09940	0.8
407.24045	1.4
431.18954	3.4
445.20605	1.3
457.20575	0.5
471.22116	0.6
518.18744	0.4
569.29327	100.0
570.29828	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
53.03938	0.3
53.75283	0.2
55.05487	0.2
67.05518	0.6
69.03428	0.3
69.07044	0.3
71.59647	0.3
73.02906	0.3
79.05514	0.2
81.03410	0.4
81.07047	0.5
85.02911	0.4
89.03918	0.3
91.05486	0.4
93.07037	0.3
97.02885	0.4
105.07030	0.4
106.28622	0.2
109.02886	0.6
109.10075	0.3
117.03388	0.6
119.08610	0.3
127.03951	0.7
137.05994	0.3
145.02858	1.8
145.10188	0.3
163.03955	0.3
177.05470	4.5
177.06885	0.4
185.04279	0.3
205.50259	0.3
259.07849	0.4
271.13943	0.3
309.16904	0.4
318.99051	0.3
331.10056	0.6
407.23984	1.8
457.20483	2.7
471.21976	3.1
487.21606	1.0
569.29333	100.0
570.29779	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73421	4.1
53.03962	5.1
53.66314	5.3
55.05516	6.9
57.07074	8.6
58.73584	3.9
67.05493	14.5
69.07086	10.1
71.57671	7.6
79.05486	25.9
80.29893	4.1
81.07060	27.6
83.04993	7.4
89.08386	4.7
91.05489	35.7
91.81715	4.0
93.07037	45.9
95.04965	35.2
95.08618	27.6
105.07032	82.6
107.08600	48.4
109.06516	7.8
109.10168	16.7
115.05498	5.4
117.07021	19.5
117.64191	4.1
118.06138	4.5
119.08585	100.0
119.31454	4.3
120.09387	5.6
121.10154	33.5
123.08085	12.2
123.11747	8.8
127.55396	4.6
128.06227	5.3
129.07016	15.5
130.07809	8.4
131.08594	51.0
132.09308	14.2
133.10129	58.9
134.10889	5.2
135.11697	16.7
138.10387	9.0
142.07785	13.4
143.08568	50.2
144.09319	19.0
144.96721	4.7
145.10129	88.3
147.11705	24.7
149.09584	8.1
151.11166	4.7
152.90614	4.1
154.07727	5.0
155.08578	15.8
156.09340	20.1
157.10133	53.4
158.10864	10.3
159.11700	43.0
161.09651	6.3
161.13235	8.1
165.07114	4.4
165.43779	4.0
167.08566	8.1
168.09296	7.4
169.10124	28.0
170.10880	12.0
171.11664	40.1
172.12497	6.7
173.13292	26.9
175.14780	23.8
177.12769	6.6
179.08551	10.7
181.10153	19.1
182.10919	5.1
183.11694	23.4
185.13272	23.9
186.14127	5.1
187.14870	16.1
191.14420	8.6
193.10176	5.7
194.10944	11.9
195.11717	19.7
196.12534	9.9
197.13298	34.3
198.13940	4.6
199.14810	10.3
207.11647	14.9
209.13216	26.5
210.13947	6.6
211.14774	17.6
217.15723	7.4
221.13242	8.1
222.14104	4.7
223.14815	18.8
225.16368	6.1
237.16249	11.0
239.17859	5.5
249.16487	6.1
255.17549	5.9
261.16266	6.3
276.24097	4.1
283.20911	5.2
283.26028	5.4
312.32687	5.6
323.23526	6.3
338.26004	61.5
375.82291	5.0
430.32376	17.8
476.36276	22.5
568.42731	53.9
568.56787	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
54.41050	2.3
55.05511	9.6
57.03444	4.3
57.07090	4.1
61.02928	3.3
64.51590	1.9
65.03931	3.1
67.05505	11.3
69.03429	9.6
69.07079	10.8
70.06594	2.8
71.04989	5.9
71.25961	2.2
71.26276	2.1
79.05508	7.0
79.80561	1.7
81.03413	5.7
81.07062	19.1
83.04978	16.9
83.08624	5.9
84.04453	1.9
85.02908	27.3
85.06551	7.7
86.06075	2.1
87.04468	4.3
89.67708	1.9
91.05495	10.0
93.07045	16.6
95.04965	38.8
95.08627	11.7
97.02865	9.8
97.06524	16.9
98.06083	2.7
99.04444	10.9
99.08083	2.3
105.07036	22.8
106.46236	1.9
107.08589	33.9
109.06525	29.7
109.10158	29.3
111.08099	6.0
112.58256	2.1
115.07570	5.9
119.08588	22.5
121.06598	2.6
121.10150	25.0
123.08040	4.2
123.11714	7.1
125.09638	3.1
127.03913	8.7
131.08566	19.3
133.10130	61.5
135.08047	9.3
135.11668	17.0
137.05872	3.0
139.11191	5.8
143.08577	3.8
143.10675	2.0
145.04970	6.7
145.10165	11.0
147.11670	25.9
149.09645	5.1
149.13275	13.2
151.11188	6.1
153.09119	20.5
157.92113	2.3
158.10902	4.2
158.29895	2.9
163.14769	6.0
165.12737	3.6
167.14343	6.1
173.13260	56.0
173.14691	3.9
175.14819	18.6
191.14294	55.2
209.15364	100.0
218.81612	2.0
227.12839	6.8
227.16408	65.2
227.77103	2.0
250.14827	1.9
364.32269	2.1
388.23035	2.9
420.87164	2.0
502.37317	2.1
503.10278	2.3
505.30148	2.2
550.28571	4.0
568.20721	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	567.2774
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
53.15203	0.5
55.05491	0.5
67.05490	2.1
69.03429	0.9
69.38999	3.9
79.05488	1.0
81.03404	0.9
81.07040	1.6
83.01083	0.6
83.08638	0.5
85.02894	0.9
91.05469	1.0
93.07027	1.0
95.08606	0.8
98.20847	0.9
105.07037	0.5
107.04934	0.5
107.08569	0.5
109.10156	0.7
119.08606	0.8
137.05969	1.7
138.06303	0.6
185.04303	1.0
201.03700	0.7
203.05312	1.9
259.07898	1.7
302.09830	0.6
307.15140	0.7
331.10022	2.6
331.18491	0.8
349.18988	0.5
387.16577	1.0
387.21429	1.0
405.22403	1.1
452.49179	0.5
455.18689	0.8
467.76105	0.5
469.20364	4.3
498.20651	0.8
511.31793	0.6
549.26654	18.2
567.27704	100.0
568.28363	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	567.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09337	1.5
52.65669	1.4
53.03940	2.2
55.01867	7.6
55.05270	3.0
55.05517	44.4
56.95309	1.6
57.07074	2.7
67.05167	3.3
67.05509	40.1
69.03426	3.9
69.07079	20.6
69.61378	4.3
69.61788	9.6
71.05001	5.3
79.05502	30.3
81.03408	4.5
81.07059	47.8
83.04989	4.5
83.08624	18.8
85.06539	4.3
91.05492	29.0
93.07047	28.4
95.05001	8.5
95.08617	30.2
97.06542	6.2
97.10180	28.2
103.05474	1.7
105.07039	29.4
107.04961	21.2
107.08610	28.1
109.06524	12.1
109.10167	11.1
111.08096	4.6
117.07020	13.0
119.08577	24.4
121.06523	2.1
121.10163	13.8
123.11755	2.9
125.09638	14.8
128.06215	3.9
129.07031	10.6
131.04938	2.6
131.08578	18.4
133.10153	18.3
135.08096	3.3
135.11722	4.6
137.06001	4.1
137.35939	2.0
141.06955	7.9
142.07809	4.6
143.08591	12.7
145.06519	2.2
145.10150	17.7
147.11707	11.7
149.09634	3.6
149.13257	4.5
153.07007	2.8
154.07753	2.3
155.08554	15.2
157.10126	15.9
159.08003	2.8
159.11674	11.0
161.09633	1.9
161.13310	3.4
165.06984	2.5
167.07133	3.9
167.08597	6.3
168.09401	2.4
169.10141	17.1
171.08104	2.9
171.11707	12.2
173.11885	2.0
173.13342	3.5
175.14832	2.7
179.08560	3.7
181.10126	8.9
183.11734	15.4
185.13310	6.1
187.14839	3.1
189.11244	8.7
193.10194	5.7
195.11740	10.3
197.09802	1.6
197.13287	12.7
199.11307	2.4
199.14897	4.6
207.11731	3.6
209.13335	6.3
211.11261	1.6
211.14809	5.5
213.16420	2.8
221.13220	3.6
223.14891	5.8
225.16406	3.7
237.16356	4.2
239.18073	5.7
249.14937	5.3
249.18604	2.2
253.19806	2.1
257.18948	1.8
263.17847	2.8
263.20270	3.0
271.16718	2.3
273.18655	2.4
275.20071	29.2
301.31412	2.1
307.20584	2.8
313.21613	3.8
327.23386	2.2
339.23166	2.9
341.24918	2.7
363.26917	4.7
379.30002	4.9
381.27850	22.3
383.29745	2.5
395.29703	3.9
397.30795	2.1
400.32935	1.9
407.29108	2.4
419.29712	1.7
455.31839	3.3
495.35980	2.5
513.37341	4.8
531.38519	15.9
549.39417	28.9
567.32019	6.1
567.40442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
61.32548	0.4
66.94464	0.4
67.05502	1.3
69.03414	0.6
70.61008	0.6
70.61401	0.8
79.05485	0.9
81.03429	1.0
81.07053	1.0
82.23581	0.4
83.01098	0.6
83.08630	0.6
85.02927	0.5
91.05467	0.8
93.07034	0.9
95.04977	0.4
95.08603	0.7
95.86417	0.3
98.21504	0.4
105.07047	0.6
107.08585	0.9
109.02820	0.4
109.10153	0.6
116.44719	0.4
120.08129	0.4
122.06059	0.4
131.04945	0.5
137.05949	1.3
138.09189	0.4
139.91035	0.4
149.09618	0.6
157.10167	0.5
166.08638	0.7
184.07335	0.5
185.04187	0.9
201.03748	0.6
203.05305	1.7
214.31244	0.4
259.07916	2.2
261.27808	0.4
313.73090	0.4
331.10016	1.5
350.58621	0.4
387.16187	0.9
405.22635	1.5
419.66324	0.4
487.63968	0.4
567.27753	100.0
568.28107	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	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01350	0.2
67.05492	0.5
69.07065	0.3
69.80488	0.5
69.80798	1.5
79.05470	0.5
81.07070	0.4
83.01080	0.3
83.04976	0.3
91.05467	0.3
93.07069	0.2
95.01082	0.3
97.06513	0.2
103.05476	0.3
105.07019	0.5
107.04944	0.6
125.37036	0.2
127.03967	0.3
131.08513	0.2
133.10144	0.4
137.05984	2.0
138.06310	0.7
147.08075	0.2
161.05965	0.4
163.03903	0.8
167.07030	0.6
168.07413	0.3
173.11745	0.3
179.07071	0.4
184.07361	0.3
185.04189	0.9
191.06935	0.3
193.08667	0.5
195.06398	0.3
201.03731	0.4
203.05301	1.2
205.08661	0.2
206.09033	0.3
259.07840	1.6
269.12433	0.4
275.57971	0.2
291.19376	0.3
312.51007	0.2
324.41733	0.2
331.10089	1.1
331.18799	0.3
349.18549	0.3
373.14896	0.4
387.16290	0.9
405.22522	1.6
469.20660	0.5
495.74457	0.2
567.27710	100.0
568.28113	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	566.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01873	2.8
55.05514	12.6
55.23073	1.4
57.03440	5.9
57.07098	1.8
60.08148	1.5
61.02929	4.1
67.05508	23.9
69.03436	4.8
69.07075	9.5
71.05007	2.6
71.08633	16.1
71.58988	2.0
74.14533	1.3
74.40895	1.4
79.05502	17.3
81.03430	7.0
81.07062	25.5
83.04977	3.0
83.08628	9.1
85.02905	5.8
85.06569	1.7
86.09713	4.0
90.54176	1.3
91.03970	1.8
91.05489	10.1
93.07051	18.8
95.04971	5.6
95.08612	16.2
97.02895	4.7
97.06519	4.8
97.10182	16.8
99.08105	15.6
105.07042	9.6
107.04982	3.3
107.08601	17.2
109.02834	2.4
109.06492	2.8
109.10157	9.5
111.08084	3.6
117.07018	5.3
119.08601	8.6
121.06489	3.0
121.10140	7.3
123.08082	2.3
123.11729	2.4
125.00050	2.2
125.09634	13.3
127.03934	3.7
129.06979	2.4
131.08588	4.2
133.10098	4.5
135.08073	1.9
135.11681	5.9
137.05960	5.3
138.06274	1.5
139.11197	2.0
140.14388	1.5
143.08536	1.7
145.05052	1.4
145.06433	1.9
145.10109	4.4
147.11681	5.6
149.13260	6.3
151.11194	13.5
157.10165	1.9
159.11693	3.0
161.13264	7.7
163.03947	1.5
163.11221	5.6
165.12737	2.2
167.07079	2.4
171.11633	2.5
173.11760	9.0
173.13196	2.7
175.14760	1.6
179.14261	6.8
184.07361	10.2
185.13387	1.7
189.11261	8.1
193.08643	3.4
194.08954	2.6
227.12788	16.5
229.14355	4.8
241.19608	3.5
245.13928	6.5
259.20572	4.1
267.11899	1.6
269.17459	6.8
277.21658	24.1
351.25311	100.0
369.26398	3.6
389.18503	1.9
513.31189	2.1
542.42902	1.6
567.27771	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81062	1.4
53.03934	3.1
54.39144	1.4
55.01875	3.2
55.05517	12.7
56.35135	1.3
57.03444	11.2
57.07072	2.1
61.02916	5.0
67.05503	44.1
69.03440	3.6
69.07066	12.9
69.59029	1.4
69.80098	8.1
71.04986	5.2
71.08630	16.3
79.05493	25.0
80.05810	2.2
81.03431	8.3
81.07056	42.3
83.04961	7.7
83.08615	12.5
85.02900	7.2
85.06523	2.4
86.09696	3.5
91.03931	1.9
91.05482	16.8
93.07045	39.4
95.04958	7.8
95.08608	19.7
97.02888	6.7
97.06548	7.6
97.10168	7.7
99.04446	1.9
99.08105	12.2
103.05455	1.7
105.07029	14.9
105.29499	1.6
107.04942	6.7
107.08588	19.3
109.06495	4.0
109.10159	6.8
111.08088	4.3
117.06988	8.1
119.08576	9.3
119.87672	1.5
121.06495	2.6
121.10142	10.9
122.05997	1.7
123.11703	2.1
125.09634	5.0
127.03905	2.9
129.07018	1.9
131.08574	6.9
133.06467	1.7
133.10114	12.0
135.11696	9.5
137.05980	13.3
138.06389	2.8
139.11198	1.6
145.10114	3.3
147.11693	4.7
149.13254	14.0
151.11194	9.3
155.08554	1.6
157.10109	2.9
159.11705	14.5
161.13240	8.7
163.03844	2.1
163.11189	5.3
165.12720	1.7
166.08582	1.5
167.06993	3.1
168.07315	2.0
171.11658	1.9
173.11760	5.5
173.13176	2.6
175.14838	1.9
177.12738	20.9
179.14322	9.5
184.07346	7.3
189.11220	4.0
191.07016	3.7
193.08565	5.3
194.08986	1.9
195.06609	1.9
195.13814	7.3
212.88597	1.4
215.45117	1.6
227.12737	6.0
229.12038	1.6
229.14366	4.3
241.19531	2.0
245.13861	3.0
251.16423	5.8
259.20538	5.3
269.17462	100.0
277.21585	13.6
319.03702	1.5
321.39249	1.5
351.25293	56.9
369.26392	6.4
413.21713	1.6
461.41086	1.5
539.87714	2.1
567.27625	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03944	0.2
51.07917	0.1
53.03945	0.2
55.01873	0.2
55.05508	0.7
56.05032	0.4
57.03436	0.2
58.06605	0.3
59.07387	0.3
60.07872	0.3
60.08166	6.0
61.44251	0.2
67.05509	0.8
69.03433	0.6
69.07058	0.5
70.06581	0.3
71.04984	0.2
71.07375	2.7
71.59474	0.2
76.03999	0.5
79.05495	0.5
81.03413	0.6
81.07056	0.9
83.08642	0.5
85.02902	1.0
86.09705	31.2
91.03954	0.2
91.05478	0.4
93.07044	0.7
95.04995	0.3
95.08598	0.6
97.02917	0.4
97.06522	0.7
98.97813	0.3
98.98459	2.9
99.08127	0.2
100.11267	1.4
104.10749	4.3
105.07021	0.4
107.08591	0.3
109.02878	0.2
109.06538	0.2
109.10159	0.5
111.04461	0.3
111.08136	0.2
119.08564	0.2
120.08062	0.2
121.10110	0.3
121.72572	0.2
123.11733	0.2
125.00003	20.3
125.09663	0.2
127.03893	0.4
128.07085	0.2
131.08586	0.2
133.10149	0.4
137.05948	0.6
143.01028	0.5
147.04436	0.3
151.07550	0.3
154.08592	0.2
161.06203	0.3
163.03838	0.3
177.05431	0.4
180.06516	0.2
182.15408	0.7
184.07339	100.0
185.07652	0.2
189.16528	0.2
209.16541	0.4
210.14871	0.7
221.12775	0.3
245.05898	0.2
247.07587	0.4
249.12332	0.2
258.11096	0.2
282.20660	0.4
291.06384	0.4
300.21591	0.6
305.08066	0.6
318.18253	0.3
318.22760	0.3
343.30725	0.2
355.14865	0.2
356.15570	0.2
374.16638	0.3
453.34338	0.4
530.27863	0.3
548.29919	1.7
557.41766	0.3
566.30536	6.8
566.42255	1.1
566.92303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45615	0.6
51.02367	0.7
53.03942	1.9
55.01859	2.7
55.05499	1.5
57.03437	0.9
65.03949	1.8
67.05500	3.9
69.03432	1.1
69.07058	0.8
69.72417	5.1
78.04707	1.1
79.05499	10.5
81.03413	1.2
81.07063	4.0
89.03933	1.3
91.05485	8.7
93.07033	3.0
94.04163	1.7
95.04969	5.4
95.08617	1.7
97.06514	1.4
98.21442	0.9
103.05470	9.4
105.03291	0.7
105.07034	12.9
107.04956	41.7
107.08591	1.4
109.10184	1.3
111.04448	1.0
115.05456	5.3
117.07031	4.5
118.04176	3.5
119.04955	2.1
119.08591	1.5
121.06526	2.8
122.03643	6.6
123.04465	3.6
124.05198	1.4
125.05972	1.0
128.06206	1.9
129.07010	2.9
130.04153	2.0
131.04922	9.9
131.08589	1.6
132.05740	1.0
133.06496	12.7
133.10146	0.9
134.03581	0.8
135.04425	10.0
135.07977	0.8
137.05978	100.0
140.04631	0.9
141.07019	1.8
143.04906	1.3
144.05727	1.2
145.02896	1.2
145.03973	2.6
145.06473	5.7
147.04387	1.1
147.08017	1.7
148.05173	2.2
149.05969	1.6
151.07553	8.3
152.04715	1.6
152.06129	1.0
153.05481	2.4
153.06972	2.9
155.04982	0.8
155.07242	1.7
155.08566	8.0
157.06514	2.1
157.10188	0.8
159.11714	1.3
160.05212	2.2
161.05983	18.1
163.02544	1.8
163.03917	37.0
163.07541	12.2
164.04634	1.1
165.07027	2.9
165.09120	1.6
167.07048	41.6
171.08072	2.3
173.06017	2.8
174.06793	1.7
175.07539	7.5
176.04689	3.4
177.05502	2.3
177.09097	11.8
178.06187	0.9
179.07047	16.1
180.07758	1.0
181.04955	2.6
181.06525	3.0
181.08621	2.3
182.07324	1.3
183.08069	9.8
187.07530	9.4
188.08331	1.8
188.17130	0.7
189.05534	1.0
189.09113	11.5
189.10760	1.4
191.07039	30.9
191.08768	1.8
191.10701	1.1
193.08607	64.6
195.06541	14.2
195.08093	1.3
197.09618	1.4
199.07533	7.3
200.08371	1.7
201.09087	1.5
203.07042	1.6
205.08583	15.3
207.10173	7.4
209.08080	2.9
211.07530	1.0
212.08365	0.8
213.09140	4.9
214.09869	8.4
215.10672	20.0
217.08563	3.6
219.08110	1.3
219.10130	7.7
223.07570	1.4
225.09048	1.0
227.10776	0.8
231.10155	15.4
232.08829	1.5
232.10925	10.1
233.11687	4.1
235.09668	2.5
237.05492	0.8
237.09218	1.1
239.10651	1.5
241.08676	1.2
243.07982	1.0
245.05882	0.9
247.11322	1.1
248.62741	0.7
249.09013	1.0
249.11282	2.7
251.07001	2.0
253.08629	2.0
255.10239	1.2
257.11725	1.3
258.19232	0.8
260.08228	1.0
265.08652	1.8
273.05441	3.3
275.06946	0.9
275.10782	1.9
275.20007	1.1
276.20374	1.0
279.10117	1.4
283.09714	1.7
285.11255	1.7
291.10321	0.7
295.09576	1.5
309.11353	1.8
309.20554	0.8
311.12842	1.1
313.10345	0.7
315.12259	6.6
317.14117	3.8
325.14349	0.8
327.12460	1.1
335.12711	2.6
339.12015	1.0
339.15897	1.1
341.13968	1.5
349.23831	1.4
350.24030	4.5
353.13788	1.4
353.17416	3.7
359.14880	4.2
367.15369	12.0
371.14880	10.0
371.18729	2.1
373.16449	2.9
381.16669	0.9
383.18558	0.9
385.16376	4.6
393.16956	1.5
411.18097	1.4
423.18143	0.7
547.23376	4.7
565.23926	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	565.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
53.03941	1.3
55.01876	2.4
55.05527	0.4
56.96568	0.5
63.18460	0.3
65.03948	2.1
66.04726	0.7
67.05476	0.8
69.03426	0.4
69.07069	0.6
70.91021	0.7
77.03926	0.6
78.04703	0.9
79.05492	6.1
80.59638	0.3
81.03430	0.9
81.07051	1.4
83.04990	0.4
85.02911	0.6
89.03926	1.2
91.05486	5.8
93.03366	0.5
93.07033	1.1
94.04166	2.0
95.04979	4.7
95.08601	0.6
97.02900	0.4
97.06538	0.6
98.97655	0.4
102.04688	0.6
103.05468	6.9
104.06229	0.4
105.03388	0.7
105.04517	0.5
105.06305	0.4
105.07027	11.6
107.04955	35.0
109.06519	0.8
110.03677	0.5
111.04426	0.6
115.05460	5.2
117.07029	3.6
118.04179	3.3
119.04962	1.6
119.08578	0.8
120.05708	0.3
121.06520	1.8
121.07298	0.4
122.03647	6.6
123.04455	3.3
123.08094	0.5
124.05217	1.0
125.05990	1.0
128.06190	1.2
129.07001	2.0
130.04146	1.2
130.07803	0.5
131.04933	9.6
131.08669	0.4
132.05725	1.0
133.02832	0.5
133.06496	12.0
135.04424	10.0
135.08069	1.1
136.05232	0.7
137.05974	100.0
138.06323	0.6
139.07574	0.4
140.04633	0.5
141.07025	1.0
143.04915	1.0
143.06012	0.6
143.08527	0.7
144.05649	0.8
145.03966	2.0
145.06470	4.7
146.03629	0.6
146.07207	0.5
147.04414	1.3
147.08035	1.5
148.05177	2.4
149.02353	0.4
149.05983	1.5
151.03961	0.7
151.07538	6.0
152.04715	0.8
152.06012	0.4
153.05548	1.7
153.06958	2.1
154.07800	0.5
155.04897	0.4
155.07121	0.7
155.08548	4.3
156.05684	0.4
157.06485	1.4
158.07310	0.4
159.08032	1.0
160.05215	1.0
161.05978	14.9
162.06758	0.5
163.03908	29.5
163.07541	12.6
164.04613	1.3
164.08189	0.3
165.05620	0.6
165.06999	1.6
165.09105	1.4
167.07042	30.9
168.05756	0.5
168.07466	0.4
169.06522	0.9
171.08041	1.5
172.05228	0.7
173.05968	2.9
174.06749	1.1
175.07542	5.3
176.04671	3.5
176.08286	0.5
177.05417	0.9
177.09103	8.7
178.06262	0.6
179.07033	19.2
180.07753	0.7
181.04951	1.2
181.06496	2.6
181.08604	2.5
182.07248	1.0
183.08023	5.2
184.05312	0.3
184.07333	0.4
184.08897	0.5
185.09622	0.5
187.07544	6.6
188.08319	1.1
189.05499	0.7
189.09090	8.6
190.06310	0.5
191.07028	28.5
191.10631	0.9
192.07556	0.8
193.08604	53.9
194.07265	0.7
194.08995	0.9
195.06535	12.9
195.08054	0.8
196.08902	0.4
197.06079	0.4
197.09529	0.4
198.06783	0.5
199.07542	4.6
200.08255	0.6
201.09065	1.0
202.06204	0.5
203.07053	1.2
203.10651	0.5
205.08598	13.2
206.09000	0.4
207.10141	4.9
209.08070	1.7
209.09756	0.4
211.07553	1.1
213.09082	3.4
214.09869	4.0
215.10661	9.7
217.08508	2.1
219.08136	0.7
219.10152	6.3
221.06050	0.4
221.09703	0.4
222.06854	0.4
223.07510	0.9
224.08215	0.5
225.09038	1.4
229.12227	0.5
231.08194	0.5
231.10164	10.5
232.08766	0.4
232.10930	5.6
233.06059	0.3
233.11771	2.5
235.07634	0.5
235.09634	2.6
235.13293	0.8
237.08974	0.9
239.07056	0.5
239.10577	0.7
240.07808	0.8
241.08542	0.6
243.10300	0.5
247.07504	0.6
249.09198	0.5
249.11244	2.8
250.06216	0.3
251.06917	0.9
251.10738	0.4
253.08545	1.1
255.10263	1.1
257.11716	0.9
260.08206	0.5
261.08948	0.4
263.07065	0.5
264.07764	0.5
265.08597	1.3
266.09497	0.4
267.10233	0.6
269.07922	0.5
271.09650	0.4
275.10690	0.9
277.08545	0.6
279.09946	0.9
280.10895	0.4
281.08057	0.5
282.08865	0.5
283.09622	1.2
285.11230	1.1
291.10254	0.4
292.12640	2.0
292.62549	2.1
293.12296	0.7
294.08795	0.4
295.09598	0.6
297.10986	1.0
303.10098	0.8
307.09744	0.6
307.12918	0.6
309.11206	1.3
311.09470	0.4
311.12698	0.7
313.10669	0.6
315.12280	6.8
317.13876	3.8
321.11203	0.8
324.13629	0.4
325.10556	1.1
325.14136	0.5
327.12225	1.4
335.12823	2.4
339.12421	0.8
339.15964	0.6
341.13770	1.1
353.13742	1.3
353.17676	1.7
359.14774	2.9
367.15399	8.0
369.13321	0.8
371.14758	6.8
371.18631	1.0
381.16776	0.7
383.18457	0.6
385.16312	3.1
393.17059	2.0
397.16122	0.7
411.18045	1.6
547.23364	2.7
564.76636	1.5
565.24188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.05491	7.3
56.02271	3.5
57.89974	3.8
67.05496	15.0
68.42931	3.8
69.80519	8.8
69.80913	23.4
72.80756	3.7
79.05492	17.3
81.03402	8.6
81.07060	11.4
83.04976	5.4
85.02858	3.8
86.60088	3.9
91.04005	4.2
91.05478	18.5
93.07037	6.9
95.04976	5.0
98.41651	4.9
103.05447	8.4
104.10773	4.2
105.07027	18.8
107.04960	32.5
109.10148	5.3
115.05488	5.8
117.07022	8.2
119.08521	5.7
122.03632	5.3
129.06923	4.9
131.04936	8.0
131.08540	4.3
133.06483	7.8
135.04427	10.4
137.05009	7.6
137.05983	100.0
145.06413	5.5
151.07585	6.2
155.08568	9.4
157.07648	4.9
161.05959	11.0
163.03911	30.6
163.07564	16.8
167.07043	36.8
175.07553	4.8
177.05510	5.3
177.09003	7.9
179.07079	20.6
181.06554	6.1
183.08080	4.5
187.07628	10.0
189.09091	7.9
191.07024	29.9
193.08620	60.0
195.06512	13.1
199.07675	7.3
205.08649	14.3
207.10239	6.4
213.09084	6.1
214.09927	6.8
215.10670	13.1
219.10129	8.8
231.10127	12.3
232.10944	7.3
245.57793	4.2
315.12622	6.0
359.14917	4.2
367.15335	12.6
371.14853	7.1
385.16629	6.7
408.10510	4.2
547.23438	5.0
565.30627	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	565.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
56.75901	2.3
56.96577	2.8
67.05484	4.1
70.13380	4.9
70.13792	6.4
79.05502	5.6
81.07033	4.1
91.05476	7.5
95.04966	8.6
97.02882	2.8
102.82603	2.5
103.05452	5.8
105.07032	12.8
107.04955	39.4
107.08595	3.5
115.05466	4.6
117.06964	3.5
122.03657	4.1
131.04932	6.7
131.08490	3.0
133.06485	12.5
135.04420	9.3
137.05980	100.0
149.05975	3.9
149.75967	3.0
151.07570	5.5
153.05603	2.9
153.06924	4.2
155.06981	2.6
155.08513	5.0
161.05975	15.7
163.03912	32.3
163.07520	13.0
167.07047	33.8
175.07570	5.6
176.04738	2.9
177.05481	4.0
177.09148	10.0
179.07053	17.9
181.06572	3.1
183.08008	6.0
184.07394	3.1
187.07582	10.3
189.09088	8.3
191.07024	27.2
193.08585	55.1
195.06540	11.6
199.07549	4.6
204.39299	2.7
205.08595	16.9
207.10229	5.7
209.08185	2.5
213.09027	2.7
214.09787	3.8
215.10646	11.2
217.08502	3.7
219.10098	6.6
231.10191	10.3
232.10896	6.1
233.11563	3.2
249.11226	3.2
257.11777	3.4
259.56378	2.5
293.21033	2.7
305.77277	2.7
315.12189	7.5
317.13892	7.0
328.42593	2.6
335.12836	3.1
367.15390	7.5
368.25171	3.0
371.14755	5.5
371.18802	3.6
373.65930	2.6
385.16440	3.7
411.17944	2.5
467.17984	2.6
522.19165	2.5
547.22839	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29946	1.6
55.01863	2.0
55.05514	10.3
57.03425	4.2
61.02925	4.3
67.05506	20.7
69.03403	2.6
69.07067	12.3
71.08628	14.2
74.49165	1.7
79.05492	13.4
81.03421	8.4
81.07059	17.9
83.08620	4.2
85.02919	5.8
91.03955	4.2
91.05476	12.2
93.07028	11.5
95.04977	10.5
95.08620	8.5
95.78338	1.7
97.02889	3.6
97.06558	2.8
97.10169	6.0
97.45651	1.6
99.08111	9.2
105.07036	11.7
107.04948	6.4
107.08592	11.5
109.06516	3.2
109.10157	8.4
111.08076	3.7
116.32576	2.0
117.07013	4.1
119.08578	4.8
121.06483	5.6
121.10141	3.3
122.70724	1.8
123.08123	2.2
125.09651	6.3
131.04987	1.6
131.08598	3.2
133.10144	9.9
134.10573	1.8
135.11801	2.5
137.05998	12.9
137.09680	2.8
138.06337	3.9
145.10162	1.9
147.11687	3.9
149.09634	3.1
149.13268	2.2
151.11206	5.8
163.07581	1.8
167.07088	5.1
177.12764	2.6
189.11278	2.3
193.12242	6.4
205.08632	2.7
211.13239	1.9
227.12776	1.9
229.54230	2.1
253.14268	2.4
267.15826	5.4
272.60672	1.7
275.20099	11.5
285.16977	17.6
293.21091	81.9
334.79092	1.9
349.23624	2.5
367.24805	100.0
413.11264	2.2
564.35864	2.1
565.29309	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	565.1185
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03948	1.6
55.01872	1.7
57.03423	1.0
59.19350	0.3
61.02919	1.0
64.94016	0.4
67.14119	0.2
68.99782	0.7
69.03075	0.5
69.03428	6.7
69.91905	0.8
69.92319	1.0
71.04982	1.1
73.02915	1.4
79.05485	0.4
81.03416	8.0
85.02903	12.7
87.00829	4.6
91.03947	0.7
91.05499	0.4
92.02621	0.8
93.03403	0.9
93.07059	0.4
97.02883	3.8
97.06527	0.3
99.04437	2.5
105.01861	2.5
107.08548	0.4
109.02879	7.0
117.01875	1.0
121.02885	0.9
127.03916	10.1
129.01837	0.6
133.10110	0.3
137.02328	0.4
137.05962	1.2
139.03900	1.0
145.02829	0.7
145.04961	2.9
147.02876	0.5
147.04385	0.6
151.03836	0.9
153.01819	5.6
159.02892	3.9
164.59201	0.3
165.01846	0.7
167.07019	0.4
177.04056	0.4
177.05486	1.3
182.15385	0.3
201.05484	0.6
217.05023	0.6
218.05725	0.6
228.04114	0.9
229.04967	2.3
231.02911	0.5
231.05060	1.3
245.04471	0.6
246.05234	0.9
257.04407	1.9
273.03949	1.4
274.04736	3.4
285.03937	3.5
302.04178	11.8
317.06552	100.0
318.06989	0.9
340.38647	0.4
383.07938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01870	6.3
55.05513	22.8
57.03431	12.7
59.05018	2.9
61.02927	4.7
65.03941	3.2
67.05506	70.3
69.03436	5.0
69.07063	17.4
69.78814	9.1
69.79226	4.8
71.04988	4.8
73.02892	2.5
78.30022	1.9
79.05494	31.1
81.03418	8.8
81.07057	34.3
82.85898	2.6
83.04987	7.6
83.08615	12.8
85.02898	7.4
87.40296	2.2
91.03978	2.9
91.05477	28.3
93.07047	30.3
95.04974	9.6
95.08624	20.6
97.02890	4.1
97.06557	11.1
97.10159	14.1
98.20741	3.5
103.05454	1.9
105.07039	24.9
107.04949	9.5
107.08591	35.9
109.02867	2.1
109.06474	2.6
109.10159	54.1
111.08076	5.9
115.05482	2.1
117.07023	8.4
117.90153	2.2
119.08574	21.8
121.06564	3.0
121.10142	13.9
125.09647	13.5
129.07021	6.3
131.08562	14.9
133.10135	18.0
135.08009	3.1
135.11734	5.3
137.05998	6.7
137.09601	5.8
143.08626	3.2
145.02824	4.3
145.10121	15.0
147.11719	8.7
149.09615	9.2
149.13304	3.5
155.08553	3.0
155.10725	2.5
157.10161	3.6
159.11670	12.9
161.13246	4.8
163.04016	2.6
163.11206	4.8
167.07022	2.6
171.11714	3.9
173.11803	30.7
173.13321	7.1
175.11169	2.4
177.05469	5.6
177.12804	7.1
179.14264	2.9
189.11217	9.7
193.08644	2.8
197.13432	2.7
210.90332	2.0
215.40591	2.7
215.67677	2.1
222.85196	2.0
227.12796	15.6
229.14346	100.0
229.19334	4.0
233.15538	2.8
239.17955	5.8
245.13956	7.5
247.15466	2.5
253.17998	2.5
255.15947	5.6
257.19046	16.1
269.17444	18.8
275.20065	38.5
293.21118	4.5
349.23740	89.3
349.28101	4.7
367.24759	18.2
385.83600	2.6
389.17957	3.4
511.29108	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35502	1.3
53.03944	3.1
55.01859	6.5
55.05510	16.8
57.03432	5.5
61.02919	5.7
65.03912	1.8
66.53752	1.6
67.05505	37.7
69.03426	6.0
69.07069	23.1
69.79264	9.9
71.04993	4.2
79.05493	34.5
81.03409	7.9
81.07059	50.9
83.04957	5.7
83.08624	10.2
83.66312	1.5
85.02904	6.8
91.03954	3.3
91.05473	24.8
93.07044	29.5
95.04970	7.3
95.08601	21.8
97.02877	4.2
97.06541	13.6
97.09622	1.8
97.10175	9.8
99.04450	1.5
99.08081	4.1
101.76848	1.5
105.07040	28.0
107.04948	8.0
107.08590	36.7
108.25494	1.7
109.02874	1.6
109.06532	13.6
109.10140	11.8
111.08060	3.2
117.03371	2.7
117.07026	9.0
119.08595	19.3
121.06541	3.8
121.10130	9.8
123.08041	4.4
123.11692	4.9
125.09642	12.1
127.03885	3.3
129.07024	4.5
131.08583	15.3
133.06496	1.8
133.10124	21.3
135.08083	3.7
135.11703	9.6
137.09566	2.4
141.06866	1.5
143.08556	3.2
145.02879	3.1
145.10120	14.5
147.11699	12.9
149.09608	10.9
149.13292	8.2
151.11177	1.9
157.10107	4.4
159.11705	15.3
161.13269	7.1
163.11186	6.9
165.12784	3.1
169.10068	2.1
171.10190	3.2
171.11661	3.9
173.13264	6.1
175.14929	1.7
177.05484	3.5
177.12721	9.9
179.14299	4.0
183.11746	1.9
189.11224	5.9
193.12308	1.9
227.12759	15.5
229.14319	3.8
229.19594	1.9
239.17966	5.7
245.13844	5.8
247.20491	3.2
253.18129	2.1
255.15929	10.5
257.19019	14.2
269.17465	27.5
275.20059	48.1
293.21042	5.6
342.33774	1.8
349.23749	100.0
367.24780	66.7
511.29596	2.8
564.33948	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	563.1551
Annotation	Afzelechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
55.01867	2.9
55.05506	1.4
65.03928	2.4
66.32603	0.9
67.05514	1.2
68.99778	7.5
69.03416	2.6
69.94650	4.8
69.95068	2.1
70.06591	1.3
71.04992	1.5
72.14733	1.2
78.39862	1.1
79.05464	3.2
81.03417	2.1
81.07032	1.4
83.04977	3.8
84.28636	0.9
85.02898	4.5
85.67294	1.0
86.09705	2.1
91.05489	6.7
95.04972	4.6
97.02885	2.6
97.06540	1.5
105.07008	2.8
107.04955	100.0
107.08588	1.9
109.02889	2.4
111.00810	2.7
111.04432	4.6
119.04945	49.0
119.08584	2.0
121.02879	5.1
121.10160	1.8
123.04430	31.1
127.03911	21.5
129.06949	1.2
131.04953	2.1
133.06506	6.5
133.10089	1.9
135.04445	7.3
137.06018	1.9
139.03897	40.0
145.06471	13.1
147.04413	54.4
149.02364	9.0
149.06017	3.3
150.64066	0.9
151.03905	13.1
153.06963	1.1
157.06509	2.5
159.08058	1.4
161.02348	1.6
161.05998	8.0
163.03902	11.2
165.05513	6.8
167.03415	17.9
167.07033	1.5
169.06467	1.4
171.04393	8.6
173.05936	1.3
175.03897	4.3
175.07640	1.5
177.05466	3.8
179.03401	12.4
181.04953	1.3
181.06459	2.1
185.05968	4.7
187.03928	2.5
187.07594	3.0
189.05492	9.3
191.03423	15.2
191.14357	1.1
193.04961	5.5
197.06041	2.1
199.07568	2.7
201.05444	4.5
203.03410	10.4
203.06979	1.7
205.04964	2.3
207.06580	1.8
209.15463	2.3
213.05499	4.2
215.03577	1.8
215.07007	2.6
217.04991	2.5
227.07045	3.9
229.04861	6.2
231.06532	25.9
233.04434	7.4
239.07019	1.7
243.06546	12.1
245.04529	9.5
245.08098	3.9
247.06056	2.2
251.05489	3.3
255.06523	16.1
257.04474	12.6
257.07346	1.4
257.08047	1.2
259.05930	1.7
267.06500	11.7
269.04413	4.5
271.06021	4.4
273.07584	30.0
275.05542	20.2
275.09064	3.4
285.07587	23.8
287.05499	32.0
289.07178	2.5
289.10382	1.2
291.08606	16.5
299.05518	4.3
303.08777	3.0
322.80594	1.1
393.09689	25.8
395.11252	4.4
405.09698	1.6
409.09195	10.2
411.10782	7.3
419.11276	1.6
427.10248	3.8
439.10413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1547
Annotation	Gambiriin C
Peak:m/z	Relative Intensity
50.01624	1.9
52.91814	1.4
53.03926	2.4
55.01868	2.6
55.05513	2.1
56.78433	1.7
56.99171	1.7
67.05522	3.0
68.99804	5.9
69.03417	2.9
70.06595	2.2
70.63807	1.6
70.87692	4.3
70.88023	1.9
79.05480	2.6
80.01765	1.5
81.03403	4.7
82.39344	1.6
83.04944	2.2
85.02921	9.0
90.35619	1.9
91.05488	5.9
91.13948	1.8
95.04971	3.2
103.05469	1.9
105.07033	3.0
107.04955	78.0
109.02866	5.1
111.00808	3.8
111.04446	5.5
119.04949	35.0
119.08612	2.6
120.08131	1.9
121.02875	3.8
123.04427	41.7
123.67188	1.7
124.32122	1.6
127.03922	100.0
131.04933	2.6
133.06461	5.7
135.04414	25.1
137.05940	2.7
139.03900	72.9
141.90526	1.7
145.02869	1.8
145.06445	8.8
147.04414	37.2
149.02354	5.9
149.05949	8.4
151.03886	14.6
157.06506	3.4
159.04430	4.7
161.05983	6.6
163.03894	35.6
165.05479	6.7
167.03406	18.2
171.04396	8.3
171.08017	2.2
173.06035	2.3
175.03903	3.8
177.05505	7.1
179.03409	10.9
181.04941	2.3
181.06372	2.0
185.06046	1.8
187.03899	5.5
187.07582	3.1
189.05498	7.8
191.03419	13.1
193.04988	5.1
197.05954	3.1
199.07544	2.2
201.05504	7.5
203.03435	11.1
213.05489	5.0
215.03256	1.8
215.06944	3.8
217.04907	2.6
222.04970	1.7
227.07161	4.5
229.04994	6.7
231.06580	17.3
233.04446	9.9
239.06903	2.3
241.05139	2.1
243.06516	8.8
245.04468	12.1
245.08263	2.2
247.06036	9.8
251.05429	2.7
253.04819	2.0
255.06548	13.7
257.04489	12.8
257.08035	2.2
258.04996	2.1
259.06021	7.8
267.06494	5.2
269.04510	4.5
271.06076	18.9
273.07565	22.7
275.05518	24.1
275.09152	14.7
283.06079	5.4
285.07599	15.7
287.05469	36.7
287.08444	2.0
289.07077	14.3
291.08557	13.8
299.05524	7.2
301.06998	6.9
303.08749	3.0
354.90652	1.9
370.17496	2.7
393.09570	23.4
395.11462	8.6
405.09692	2.4
409.09186	20.2
411.10693	6.3
427.10300	4.7
437.12051	2.4
482.23245	2.1
583.59937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01895	5.8
55.05509	13.7
57.03432	11.3
61.02930	6.9
66.45322	2.6
67.05505	45.5
69.03433	4.0
69.07073	12.2
69.79331	6.9
69.79749	11.7
71.61242	2.7
79.05488	25.6
81.03421	5.7
81.07060	42.8
83.04988	9.0
83.08633	6.1
85.02916	7.3
85.06567	6.7
91.05470	33.8
91.90784	3.4
93.07059	22.5
95.04964	7.6
95.08614	14.1
97.06548	5.2
97.10172	3.9
98.14170	3.6
98.20822	3.8
105.07040	32.9
107.04915	7.4
107.08608	22.7
109.06544	3.8
109.10149	42.7
113.06074	4.2
117.07024	3.8
119.08584	11.1
121.10156	9.1
123.08078	4.1
123.11729	7.8
127.07668	3.3
129.05510	3.7
129.07013	4.2
131.08598	6.2
133.10130	53.3
135.08081	5.3
135.11662	5.9
137.05991	13.6
145.10132	7.2
147.11707	3.6
151.11192	19.7
154.28542	3.2
161.09665	6.5
177.09106	3.2
187.22978	3.4
213.54771	2.9
245.19064	3.6
251.57986	3.5
253.14371	100.0
263.20148	6.6
269.13992	3.7
271.15482	16.1
273.18414	16.1
284.34985	3.3
291.19562	17.3
305.24670	3.7
331.69681	3.3
347.22137	8.9
347.25894	14.9
365.23209	81.8
365.26776	4.2
383.24307	4.7
421.29556	24.0
536.53302	3.5
544.37189	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	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.03938	1.2
54.01770	0.7
55.01872	8.5
55.05511	9.9
57.03438	7.1
57.07077	1.1
61.02915	3.1
65.03928	1.1
67.05503	36.0
67.44213	0.7
69.03436	4.1
69.07069	10.8
69.79568	1.7
69.79985	3.7
71.04989	3.5
73.02922	1.5
73.06541	0.8
79.05495	20.3
81.03413	5.1
81.07056	41.4
83.04987	8.0
83.08630	4.8
85.02898	3.2
85.06533	4.9
91.03957	1.8
91.05481	34.9
93.07050	23.4
95.04971	6.4
95.08613	12.0
97.02881	2.6
97.06538	4.5
97.10170	1.4
99.04459	1.8
101.06019	1.1
103.05492	1.6
105.07031	32.3
107.04983	7.1
107.08595	27.1
109.02882	1.0
109.06513	6.7
109.10159	41.2
111.04448	1.0
111.08057	1.8
113.05983	2.1
115.05436	1.1
116.06233	0.8
117.07023	5.2
118.35038	0.7
119.04922	1.4
119.08569	7.8
121.06516	5.0
121.10153	6.4
122.03680	1.6
123.04437	0.6
123.08059	3.6
123.11713	8.1
124.60209	0.7
125.09647	1.1
127.03928	1.0
127.07562	2.3
127.24358	0.8
128.06212	1.2
129.05496	1.3
129.06998	2.6
129.24501	0.7
131.04922	3.3
131.08588	8.0
133.02893	1.8
133.06523	4.2
133.10129	55.8
135.08051	5.4
135.11711	2.9
137.05977	23.0
139.07529	0.9
143.08566	3.2
145.10138	3.9
147.08115	1.7
147.11655	1.8
149.05946	1.2
149.09627	4.3
151.09964	1.4
151.11185	25.7
153.12727	1.0
157.10136	2.0
159.08057	2.1
159.11751	0.8
161.09592	4.7
161.13217	1.3
163.07550	2.4
163.11206	1.1
165.09187	1.0
169.12253	3.8
171.11668	2.6
173.09561	0.8
175.03915	1.3
175.11183	1.8
177.09073	2.7
177.12738	1.0
179.10719	1.8
179.54144	0.9
185.13205	1.2
189.09097	0.7
189.12714	2.0
215.12782	3.5
227.18033	1.0
231.10332	0.8
233.15417	0.9
245.19115	3.1
252.04904	0.8
253.14359	91.1
254.14763	1.1
255.17377	1.3
263.20038	3.7
269.13834	3.4
271.15408	14.5
271.18155	1.4
273.18491	13.3
285.16998	2.3
291.16455	1.3
291.19556	15.0
291.22235	0.5
309.20529	1.4
329.01477	0.7
347.22174	6.4
365.23227	100.0
366.23584	0.9
380.50912	0.8
383.24246	2.7
477.28937	0.8
527.28583	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.0
55.05514	11.2
56.77143	1.6
57.03429	6.7
57.10174	1.4
60.62455	1.4
61.02904	2.2
62.53996	1.5
67.05512	19.4
69.03437	2.9
69.07066	12.2
71.04978	3.0
71.55988	1.8
71.56353	1.5
73.02933	2.1
79.05502	12.4
81.03408	5.4
81.07059	19.7
83.04969	5.5
83.08611	3.9
85.02915	2.8
87.82745	1.5
91.03936	2.3
91.05473	13.6
93.07040	14.2
95.05000	7.5
95.08608	10.3
97.02896	5.5
97.06535	4.7
97.10162	5.3
105.07037	10.7
107.04940	5.1
107.08601	10.7
109.06521	5.4
109.10155	5.6
111.08087	2.1
113.97423	1.5
117.07012	5.8
119.04996	1.8
119.08584	10.3
121.06525	2.8
121.10146	5.2
123.08118	2.5
125.09633	4.2
127.03983	1.8
127.07545	4.8
131.08571	9.3
132.76834	1.7
133.06470	3.7
133.10135	5.7
135.08022	5.3
135.11705	3.3
137.05986	3.0
137.09647	2.6
143.08578	2.1
145.10138	4.8
147.04404	1.8
147.08008	4.2
147.11690	5.2
149.13257	2.5
155.08601	2.8
157.10162	1.9
159.11708	3.6
161.09669	2.3
163.11282	3.5
171.11729	2.2
173.13277	3.5
175.11269	1.8
185.13309	2.0
193.12273	2.5
211.11519	1.6
217.04829	1.8
217.15858	2.2
221.99770	1.6
223.13261	4.3
227.12856	2.9
235.16934	2.6
273.18420	15.9
285.17004	4.9
291.19553	59.5
347.22235	5.1
365.23230	100.0
366.23526	2.2
383.24463	1.7
401.20508	1.9
408.30966	3.8
452.66415	1.6
518.33728	4.1
527.28345	1.9
562.36700	3.7
563.24530	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01866	7.7
55.05510	15.2
57.03440	9.9
57.07064	2.2
61.02919	6.6
67.05504	39.5
69.03413	6.1
69.07069	12.7
70.72956	4.5
70.73292	2.0
71.04977	1.9
73.02886	2.3
79.05487	25.1
81.03426	9.2
81.07059	40.7
83.04975	12.3
83.08614	5.5
85.02904	5.5
85.06545	3.9
91.03945	4.3
91.05484	37.2
93.07041	24.4
95.04956	8.0
95.08599	14.2
97.02898	4.7
97.06530	4.3
99.04446	2.4
103.05463	1.8
105.07029	28.2
107.04952	8.1
107.08595	30.1
109.06522	6.6
109.10159	38.5
111.04436	2.7
111.08076	3.9
117.07011	8.9
119.08572	11.3
121.06515	5.3
121.10152	8.0
123.08083	3.7
123.11698	7.6
125.09608	2.9
129.07011	3.3
131.04988	1.9
131.08580	8.7
133.06488	7.6
133.10121	48.4
135.08038	11.8
135.11652	7.0
135.12654	2.7
137.05981	4.3
141.80272	1.8
143.08546	3.9
145.10127	6.2
147.07980	3.4
147.11691	3.6
149.09601	6.9
151.11163	21.9
157.10114	3.0
159.07950	3.2
159.11678	3.5
161.09576	6.0
165.09120	2.3
169.12215	5.3
171.11661	5.1
173.04378	1.8
175.11203	3.9
177.09062	5.0
184.07344	3.2
209.84413	1.7
215.12769	4.9
227.17807	2.2
230.24803	4.0
234.55838	1.9
236.99377	1.8
245.18936	5.0
246.06483	1.9
253.14380	35.4
253.16852	3.4
255.17374	2.1
263.20084	6.3
269.14178	2.4
271.15387	33.1
273.18518	21.3
285.16956	4.8
291.19543	26.1
347.22076	6.6
365.23221	100.0
366.23633	3.7
383.24152	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05622	1.6
53.03937	2.4
55.01874	4.4
55.05504	9.1
57.03432	5.6
57.07063	1.5
61.02916	2.8
61.44849	1.3
67.05505	28.7
67.83636	1.4
69.03421	3.3
69.07078	9.8
70.98334	1.3
71.05010	2.3
71.58708	2.8
79.05493	15.7
80.36505	1.6
81.03439	7.8
81.07063	32.2
83.04980	6.6
83.08607	4.4
85.02911	4.4
85.06533	4.2
91.03958	1.4
91.05479	26.1
92.36862	1.5
93.07043	20.6
95.04966	6.4
95.08598	14.0
97.02883	3.7
97.06517	3.0
105.07025	26.0
107.04953	5.8
107.08596	19.3
109.06529	3.8
109.10162	33.4
117.07042	5.1
119.08598	6.9
121.06502	4.1
121.10162	5.0
123.04408	1.6
123.08080	2.7
123.11719	4.6
129.06985	3.5
131.04918	1.8
131.08549	9.2
133.06470	4.1
133.10123	41.1
135.08054	5.3
135.11734	4.1
137.06004	4.8
139.11153	1.5
143.08536	3.7
145.10150	4.7
147.08034	2.9
147.11752	2.7
149.09631	4.4
151.11172	17.0
157.06410	1.8
157.10094	2.4
159.08055	2.8
159.11682	3.4
161.09567	3.7
163.11108	2.4
167.07089	1.8
168.65387	1.8
169.12277	2.4
171.11702	2.7
175.11243	3.0
181.76976	1.4
203.57773	1.5
215.12799	3.4
245.19064	2.2
253.14336	28.9
255.17439	2.5
263.20059	3.3
269.13873	2.5
271.15375	12.9
273.18439	14.8
285.17041	3.1
291.19577	14.8
309.20691	2.4
347.22293	8.2
365.23221	100.0
383.24371	1.7
527.27893	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01855	4.1
55.05513	15.0
57.03187	1.0
57.03440	14.0
60.13290	0.9
60.55178	0.8
61.02912	3.1
66.73968	0.9
67.05170	1.5
67.05503	20.9
67.35732	0.9
69.03452	5.7
69.06721	1.6
69.07069	21.8
70.72166	2.8
71.04972	1.7
73.02909	1.1
79.05492	15.5
81.03429	7.4
81.07059	22.8
83.04968	3.7
83.08626	5.8
85.02897	3.7
85.06532	2.1
86.09657	0.8
91.03954	1.8
91.05488	11.4
93.07037	14.0
95.04973	8.0
95.08600	12.6
97.02885	6.5
97.06514	4.4
97.10180	9.7
99.08091	0.9
105.07028	11.6
107.04958	5.4
107.08595	11.1
109.06519	6.9
109.10163	7.6
111.08096	1.3
113.05991	1.0
117.07050	6.0
119.04963	1.0
119.08575	10.6
120.05690	0.9
121.06529	3.0
121.10132	4.8
123.08062	3.0
123.11753	1.5
125.09637	9.3
127.03850	0.9
127.07577	6.0
129.06993	4.6
131.08588	5.5
132.93510	1.0
133.06490	3.0
133.10121	4.0
135.08049	4.1
135.11696	2.6
137.09602	2.9
143.08580	3.2
145.10129	5.5
147.08054	5.1
147.11673	5.4
148.08821	1.0
149.09608	2.9
149.13269	1.7
151.03865	1.0
151.11183	1.2
155.08656	0.9
157.10127	3.9
159.11697	3.4
161.09578	3.4
163.11165	1.5
165.09099	1.6
165.12808	1.7
171.11586	1.5
173.11774	1.5
173.13181	1.7
175.11172	2.5
177.12808	1.2
183.11620	1.2
189.11217	3.6
193.12247	3.9
201.12825	1.0
211.13205	1.9
223.13332	11.0
227.12729	3.3
229.14359	1.5
233.15349	1.1
235.16914	1.9
245.19144	1.8
249.14844	2.8
250.13519	1.0
255.17334	1.1
267.15918	1.7
269.17545	2.1
273.18463	11.9
285.16983	6.2
291.19547	80.7
292.19696	1.7
292.52554	0.9
307.19031	1.2
309.20566	0.9
336.66934	1.2
347.22110	5.7
365.23245	100.0
366.23636	2.2
509.27271	1.1
527.28320	3.1
562.36700	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03941	5.0
55.01888	5.5
55.05515	30.2
57.03444	7.0
57.07077	2.3
59.04990	2.4
60.82292	0.9
65.03938	3.8
67.05510	72.4
69.03442	3.6
69.07075	19.1
70.96403	0.9
71.01356	1.8
71.04631	1.4
71.04993	5.0
79.05501	53.1
81.03429	8.5
81.07063	64.1
83.04990	12.8
83.08619	13.7
85.02905	2.6
85.06550	4.2
87.04472	1.4
91.04907	1.3
91.05042	0.8
91.05482	37.7
93.07050	57.3
95.04979	11.6
95.08614	39.1
97.02907	1.8
97.06544	8.0
97.10176	14.8
98.20760	1.8
99.04459	1.6
99.08127	2.2
99.77206	1.0
103.05458	1.4
105.07035	33.4
107.04957	6.7
107.07874	1.8
107.08598	34.3
107.09295	2.0
109.06548	7.1
109.10160	29.3
111.04442	8.4
111.08096	7.2
111.11768	1.2
113.09586	1.4
115.05480	2.1
116.06251	1.2
117.07024	14.3
119.08589	25.1
121.06525	4.4
121.10156	30.6
123.08062	3.7
123.11723	5.2
123.97823	1.2
125.05990	1.2
125.09641	10.1
128.06242	1.6
129.07016	8.7
130.07779	1.6
131.08577	24.3
131.09515	1.6
133.06516	3.3
133.10141	17.6
135.08084	4.1
135.11711	19.2
137.09653	3.2
139.11208	4.5
141.07007	2.5
143.08546	8.9
145.06477	2.0
145.10144	20.6
147.08125	3.2
147.11687	12.9
149.09636	6.4
149.13300	6.4
151.11172	2.7
153.09195	2.0
153.12752	5.0
155.08604	3.7
157.10168	7.2
159.08075	2.3
159.11690	12.2
161.09601	2.5
161.13260	8.0
163.11195	14.4
163.14897	1.9
167.08571	1.9
169.10135	4.1
171.11710	7.9
172.95323	1.5
173.09692	4.8
173.11768	2.8
173.13284	7.1
175.11273	3.3
175.14838	2.3
181.10239	1.8
181.12277	7.5
183.11737	3.9
185.13303	4.6
187.11307	1.4
187.13356	1.2
187.14854	4.3
189.11215	3.6
189.12779	2.1
191.10667	5.2
193.12288	2.4
195.11670	1.2
197.13326	3.3
199.11346	1.6
199.13242	2.0
199.14815	2.2
201.16397	1.8
209.11705	5.0
209.13426	1.2
211.13255	2.6
211.15002	1.4
217.06622	1.5
217.14262	1.6
219.07996	1.3
221.15331	1.3
227.12787	16.0
227.14824	1.2
229.14365	4.1
241.19626	1.2
242.07349	3.1
243.21149	2.3
245.13776	6.2
245.19019	1.4
247.07506	5.2
247.16949	1.2
259.20624	2.7
261.22180	7.7
265.14441	2.0
267.15787	4.9
270.06775	2.1
271.20486	1.3
273.05502	3.3
273.22229	1.4
275.20245	1.1
277.21716	3.6
283.15402	16.6
285.22028	2.2
287.20160	1.3
289.21664	3.0
297.22263	1.5
299.23810	3.1
301.21692	3.1
303.23157	2.3
305.21161	1.1
309.22180	1.4
315.23245	5.4
317.24695	3.9
327.23236	3.6
333.24399	2.9
334.03973	1.3
335.25873	9.7
345.24374	1.5
371.25790	1.9
375.25500	1.8
389.26920	3.5
415.30069	1.2
423.32840	1.4
430.13638	1.2
433.31015	3.9
450.10306	1.3
451.32193	9.2
455.60123	1.0
459.14136	2.6
469.12204	1.5
469.33179	7.3
487.13513	4.0
487.34323	4.8
489.14996	3.8
497.11771	3.9
498.12564	2.1
499.12793	1.8
515.12817	39.6
515.37622	2.0
516.13080	7.6
517.14319	3.6
517.35614	2.8
521.21924	2.5
525.35858	12.4
533.13721	2.9
543.36841	50.6
561.13354	26.4
561.24304	4.5
561.37866	100.0
562.13580	3.3
562.37714	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01871	3.3
55.05259	1.5
55.05513	16.6
55.05779	1.0
55.93977	0.8
55.94330	1.0
57.03436	8.9
57.07075	2.8
65.03950	1.4
67.05507	51.2
69.03435	2.0
69.07075	15.1
69.31776	1.9
69.32188	8.5
71.04989	3.8
73.02914	2.1
75.53103	1.1
79.05494	46.4
81.03434	3.1
81.07058	57.9
83.04990	4.7
83.08624	12.8
85.06535	2.6
85.35952	0.9
91.05479	21.4
92.72669	0.9
93.07047	66.1
95.04974	7.9
95.08607	61.7
97.02896	3.8
97.06525	5.6
97.10168	3.7
99.04449	4.6
105.07038	18.8
107.04961	8.8
107.08601	43.6
109.06516	4.1
109.10160	18.3
111.04468	1.7
111.08083	2.8
113.09634	1.0
114.95782	0.9
115.05441	1.5
117.07014	12.1
119.08592	19.3
121.06492	6.5
121.10149	24.7
123.08092	2.2
123.11703	5.7
125.06002	3.2
125.09627	1.1
129.06941	1.1
130.07744	2.3
131.08591	9.4
133.10146	9.9
135.08047	3.2
135.11691	52.5
137.13249	2.4
143.08591	1.6
145.10129	32.0
147.11723	6.4
149.13272	5.7
151.11153	1.0
153.12708	1.1
159.11731	4.3
161.13272	4.4
163.11188	53.8
163.14876	2.9
171.11685	1.7
173.13307	4.4
175.14883	2.1
177.16412	1.5
181.12282	9.8
183.11555	1.0
185.13295	1.1
187.14879	3.6
201.16399	1.5
209.11781	1.8
227.12788	100.0
233.22716	1.4
243.21130	6.1
243.76447	0.9
261.22134	21.1
274.71609	1.1
275.20111	1.4
275.49200	0.9
279.23120	2.4
283.15408	55.7
317.24826	7.9
335.25803	69.1
469.33231	2.0
525.36542	1.1
543.36798	46.9
561.39520	25.4
561.49359	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
54.77966	2.6
55.01862	8.9
55.05516	33.5
57.03432	8.1
58.79356	3.4
64.48243	2.6
65.03943	5.8
67.05507	84.9
69.03436	3.8
69.07065	29.9
70.85647	8.8
71.04996	7.7
72.03892	2.9
74.14821	2.9
79.05495	72.5
81.03423	7.3
81.07056	81.8
83.04976	13.7
83.08620	20.0
85.06535	3.3
91.05479	46.0
92.41263	3.2
93.07047	78.0
95.04966	18.6
95.08608	57.4
97.02876	6.0
97.06532	7.7
97.10178	10.6
99.04462	3.0
105.07032	41.0
107.04969	9.8
107.08588	50.9
108.68198	2.8
109.06533	7.8
109.10152	32.8
111.04453	3.4
111.08086	6.2
115.05468	3.0
117.07031	22.2
119.08578	37.1
121.06503	6.0
121.10136	29.5
123.08057	7.0
123.11731	10.1
125.09615	12.0
129.07079	6.4
131.08586	25.7
133.06532	3.4
133.10127	28.3
135.08037	7.0
135.11690	38.5
137.09587	4.3
139.11220	3.6
142.07736	3.2
143.08572	11.4
145.10123	33.0
147.08049	5.9
147.11694	17.4
149.09636	5.1
149.13286	8.6
153.12645	4.2
155.08528	4.9
157.10133	8.2
159.11710	15.8
161.09662	3.5
161.13268	11.9
163.11195	26.6
169.10023	3.5
171.11674	5.9
173.09669	5.0
173.11794	6.2
173.13300	11.0
175.11176	3.3
175.14767	4.6
181.12230	7.6
183.11749	5.2
187.14813	8.5
189.11227	7.3
191.10651	6.0
195.11705	2.9
197.13249	5.7
199.14758	4.1
201.16356	3.8
209.11661	7.2
227.12773	47.7
236.76547	2.7
241.19656	3.4
247.16867	3.9
259.20810	3.1
261.22144	14.2
265.14505	3.5
269.14880	3.2
283.15375	23.6
301.21655	5.1
303.23318	3.4
315.23138	6.2
317.24854	5.5
335.25812	37.0
433.31158	6.6
451.32162	9.0
469.33127	10.5
487.34055	5.1
501.15219	7.2
502.15674	3.1
515.12982	7.3
525.35645	11.3
543.36798	79.2
561.13470	6.6
561.37793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78651	11.1
55.05495	15.1
67.05502	27.7
67.98708	10.9
69.07059	49.4
70.35687	50.0
79.05473	34.2
81.07058	99.5
82.72184	11.8
83.08616	21.5
91.05479	23.9
93.07039	56.9
95.08599	86.2
105.07025	43.2
107.08564	58.5
109.10154	84.5
119.08561	37.5
121.10152	37.9
123.11714	21.8
131.08589	20.2
133.10139	32.2
135.11705	38.1
143.08540	13.4
145.10101	25.2
147.11674	20.4
149.13235	33.5
159.11652	28.6
161.13246	24.2
163.14833	16.3
173.13258	23.5
175.14787	15.5
177.16376	14.2
185.13234	15.9
187.14883	15.3
189.16422	16.6
199.14793	18.3
215.17876	18.4
230.89311	12.4
559.48834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01880	3.9
55.05515	17.6
57.03440	6.9
57.07077	2.9
62.58570	2.8
66.92368	2.6
67.05511	43.4
68.00179	2.7
69.07082	17.4
69.37221	28.7
71.04985	3.1
79.05497	24.7
81.03405	4.9
81.07063	42.1
83.04974	3.8
83.08615	14.2
91.05490	20.2
93.07047	38.6
95.05002	5.8
95.08618	29.9
97.06552	3.4
97.10186	7.5
105.07032	20.5
107.04925	3.6
107.08597	25.3
107.77972	2.6
108.53899	2.3
109.10180	16.4
111.11722	3.1
116.63049	2.4
117.07043	5.9
118.27831	2.5
119.08575	15.8
121.06494	3.4
121.10154	19.4
122.57216	2.4
123.11756	6.0
124.35609	3.0
125.09657	5.8
129.06999	4.4
131.08606	12.1
133.06526	3.7
133.10109	15.5
135.11687	18.1
143.08485	2.9
145.10132	13.4
147.11699	5.7
159.11780	4.9
161.13341	5.1
163.11234	14.6
164.79205	3.1
173.13327	3.9
175.14767	3.2
177.76791	2.8
181.12267	3.3
199.14784	2.5
209.11754	6.1
227.12852	22.4
255.15881	2.9
261.22183	4.5
283.15427	10.8
285.73199	3.6
306.03833	2.8
335.25983	19.0
433.31219	4.3
445.82675	3.2
469.33212	4.7
525.36108	5.4
543.36743	28.6
561.39337	100.0
561.50140	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79929	2.1
53.03947	5.2
55.01868	8.1
55.05516	34.7
56.36811	2.4
57.03434	9.4
57.07070	2.3
65.03936	2.8
65.25386	2.5
67.05506	79.3
69.03406	5.5
69.07076	28.5
71.01348	2.1
71.04987	7.6
71.08632	2.7
71.12567	2.5
76.19759	2.2
79.05496	53.1
81.03419	10.5
81.07057	75.5
83.04993	12.4
83.08614	17.9
85.06549	3.1
91.05482	45.4
91.54826	2.3
93.07046	73.6
95.04973	15.1
95.08608	62.3
97.06538	9.5
97.10186	15.3
103.98788	2.5
105.07036	41.1
107.04973	9.0
107.08596	45.0
109.06503	4.5
109.10149	30.7
111.04440	4.5
111.08080	4.7
111.11704	2.4
114.62896	2.3
117.07020	21.1
119.08580	35.1
119.09365	3.4
121.06530	5.7
121.10148	32.1
123.08105	6.3
123.11724	9.5
125.09642	12.1
129.07008	9.9
130.07756	2.9
131.08582	25.6
131.99126	2.3
133.10127	21.0
135.08072	7.1
135.11690	29.2
137.09602	4.1
139.11188	4.6
142.07800	3.1
143.08586	9.1
145.06505	3.5
145.10133	27.6
147.08113	3.3
147.11714	14.6
149.09621	6.5
149.13281	8.1
153.12776	3.2
155.08548	5.6
157.10173	9.4
159.08061	3.8
159.11679	16.5
161.09653	2.3
161.13309	7.9
163.11191	23.6
163.14795	4.4
169.10155	5.6
171.11711	8.2
173.09663	4.4
173.11792	3.0
173.13246	9.8
181.10374	3.0
181.12306	6.6
183.11681	5.8
185.13286	7.6
187.14844	7.3
189.11243	5.1
191.10735	4.0
195.11790	3.0
209.11769	10.0
215.08618	2.5
227.12817	23.3
229.14194	2.9
232.08565	2.7
243.08017	15.4
244.08345	18.0
245.08791	7.6
245.13870	3.7
259.07541	12.5
259.20593	4.5
260.07831	17.4
261.08240	12.7
261.22177	10.5
273.21951	4.5
277.21570	3.2
283.15414	13.7
285.21997	3.4
301.21790	4.3
315.23361	7.8
317.24857	6.4
333.24207	2.9
335.25815	14.5
451.32047	8.7
459.16751	5.9
469.33347	6.8
470.16156	5.0
486.15305	8.0
487.15869	15.5
487.34045	5.6
515.15485	7.2
525.35699	12.6
542.14325	2.9
543.14929	3.7
543.36902	63.1
544.16003	7.0
561.16089	98.0
561.38025	100.0
561.50214	4.6
562.16217	8.1
586.15271	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.3
55.05509	27.0
57.03431	6.6
57.07097	3.3
65.03949	3.9
67.05508	78.2
69.07075	17.7
69.40575	2.7
69.58017	7.9
69.58443	14.0
71.04997	3.1
79.05495	73.5
81.03417	9.7
81.07059	68.5
83.04971	14.6
83.08624	9.8
85.93396	3.0
87.62889	2.7
91.05482	54.3
91.06010	4.1
93.07047	80.6
93.07630	5.2
95.04987	16.3
95.08615	45.3
97.06528	7.7
97.10181	3.6
98.21514	2.6
105.07036	48.0
107.04951	7.3
107.08617	29.8
109.06528	7.1
109.10137	20.3
117.07053	13.2
119.08578	32.6
121.10146	22.3
123.08060	7.8
123.11745	4.0
129.06989	13.0
131.08571	11.0
133.10135	17.2
135.11682	13.1
143.08621	8.5
145.10135	14.1
147.11696	33.1
149.13260	6.5
157.10104	2.8
159.11736	7.6
161.09531	4.2
161.13289	12.1
171.11697	21.9
173.13339	4.8
187.14758	5.2
189.12732	9.1
207.13838	18.0
243.21078	3.9
256.26355	3.3
261.22189	12.0
279.15976	4.1
281.13678	12.1
281.17496	47.5
282.17670	3.4
317.25076	3.9
335.25778	66.5
383.20575	3.3
399.65399	2.9
436.62546	2.9
449.34137	2.6
541.38971	100.0
542.39185	5.3
559.39746	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70193	1.0
53.03930	3.6
55.01870	4.0
55.05273	1.3
55.05516	16.2
56.18374	1.1
57.03443	7.1
57.07059	2.9
65.03931	1.9
67.05173	2.2
67.05504	28.3
69.03428	2.7
69.07063	11.2
70.66264	2.2
70.66600	2.4
71.04990	3.4
73.02897	1.2
78.58644	1.3
79.05493	34.9
81.03416	3.1
81.07056	31.3
83.04980	5.2
83.08625	9.2
90.45023	1.3
91.05480	34.4
92.41586	1.2
93.07043	54.4
95.04977	9.5
95.08611	42.2
95.09227	1.7
97.02875	2.9
97.06522	4.7
97.10160	1.9
99.04461	3.6
103.05478	1.3
105.07030	34.4
107.04953	8.3
107.08595	36.6
109.06512	3.8
109.10124	7.5
110.41568	1.2
111.08059	3.3
117.07012	16.4
119.08578	34.9
121.06521	6.3
121.10138	22.6
123.08038	2.4
123.11700	1.7
125.05958	2.9
125.09599	1.7
129.07008	4.0
130.07744	2.6
131.08569	11.1
133.10133	22.7
135.08090	2.5
135.11681	48.0
143.08569	5.2
145.10118	31.2
147.08076	1.4
147.11676	24.8
149.09654	3.3
149.13275	5.5
157.10143	4.7
159.11665	9.9
161.13260	22.3
163.11174	53.5
163.14844	3.3
171.11644	7.5
173.13245	5.7
175.14822	14.6
181.12178	9.7
185.13255	5.7
187.14796	1.9
188.09767	1.4
199.14821	3.7
209.11761	1.6
211.10451	1.2
213.16344	1.5
217.19440	1.8
227.12779	100.0
231.07959	2.5
231.21057	5.4
233.34648	1.4
241.19518	28.7
259.20572	60.3
267.15656	1.6
275.20041	3.9
277.21439	1.7
282.08734	1.4
283.15402	58.0
287.06888	2.2
315.23187	5.4
333.24225	52.6
349.23755	1.5
370.69662	1.3
374.71527	1.2
376.22726	1.3
467.31049	2.2
541.35242	22.6
559.15491	2.8
559.36426	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	559.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61685	0.2
52.24701	0.2
55.05490	0.8
57.03418	0.2
57.07058	0.2
65.00503	0.2
65.63541	0.2
67.05508	2.1
69.07034	0.6
70.86582	0.4
70.86923	0.4
79.05498	1.9
81.07050	2.5
83.08578	0.6
91.05479	1.8
93.07044	1.9
95.04966	0.2
95.08611	1.4
97.10121	0.5
97.43634	0.2
105.07025	1.5
107.04931	0.8
107.08585	1.4
109.10129	0.8
117.07008	0.7
117.43750	0.2
119.08530	1.0
121.10114	0.5
123.08025	0.2
123.11653	0.4
129.07010	0.5
131.08545	1.0
133.10144	1.1
135.11668	0.6
137.09618	0.3
143.08556	0.5
145.10091	0.8
147.11659	0.4
149.13243	0.4
151.11169	0.4
157.10118	0.5
159.11635	0.6
163.11160	0.3
171.11739	0.4
175.11154	0.3
175.14822	0.3
176.57874	0.2
202.07817	1.4
203.08549	1.7
213.07069	0.2
215.08560	4.0
219.08101	0.3
223.14885	0.2
227.08578	0.3
227.12802	0.7
231.08051	3.9
233.09619	0.4
239.08598	0.5
242.07254	5.5
242.09717	0.4
243.08064	31.9
244.08682	1.2
247.07475	0.4
255.08025	0.8
258.06784	3.2
259.07550	34.5
259.20618	0.6
260.08188	1.2
261.22052	0.3
271.07483	1.3
273.08966	0.3
273.18484	0.3
281.05939	0.6
283.07465	0.2
283.15512	0.7
287.07062	1.3
297.05673	0.5
299.07150	0.2
315.23175	0.6
333.24225	0.6
363.11649	0.9
366.10553	0.3
374.11133	0.2
375.11877	0.3
379.11179	0.7
391.11200	0.7
392.12030	1.6
407.10645	0.3
408.11566	0.8
413.13278	0.4
419.11099	0.3
424.12448	0.5
428.15900	0.3
437.13181	0.8
439.14642	1.2
441.12787	0.3
442.13644	0.7
447.10532	0.4
448.12006	0.5
449.30347	0.2
450.14114	0.3
453.13126	0.2
455.14557	1.6
456.14917	1.2
457.15933	3.0
466.13553	1.8
467.14417	1.7
467.31378	0.3
468.15143	5.9
473.15640	0.5
475.17050	0.3
477.12570	0.4
482.12790	0.3
483.13885	1.1
484.14676	6.7
485.15381	21.8
486.16138	1.0
495.13797	3.1
496.14587	0.7
497.15250	0.3
502.15643	0.6
503.16391	0.4
506.12900	0.6
511.13245	2.0
512.14264	0.8
513.14862	8.4
513.36737	0.3
522.12469	1.2
523.13281	2.1
523.33966	0.3
524.13922	1.7
525.15167	0.3
529.14471	0.4
531.16052	1.7
539.13379	0.3
540.13678	2.2
541.14386	4.2
541.34741	1.9
542.15100	5.3
559.15417	100.0
559.36304	2.6
560.15546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83609	0.2
53.18995	0.3
55.01879	0.5
55.05492	0.3
61.73522	0.3
65.67947	0.3
67.05493	0.9
69.03423	0.9
69.07062	1.0
71.04960	0.3
71.59656	0.4
79.05499	1.4
81.03406	1.1
81.07028	1.0
83.04971	0.3
85.02893	1.3
85.06546	0.4
87.00809	0.3
91.05482	0.9
92.89203	0.3
93.07022	0.6
95.04964	0.5
95.08634	0.6
97.02901	0.6
97.06522	4.8
105.07009	0.6
109.02884	0.8
109.10177	0.3
111.09460	0.3
117.07059	0.3
119.04959	0.5
119.08527	0.5
121.06515	0.3
122.05996	0.4
127.03889	1.1
127.07578	0.3
137.05969	2.5
145.02927	0.7
145.05061	0.5
145.10123	0.6
147.04399	1.1
163.03918	0.4
163.07501	0.4
173.09705	0.3
177.05484	1.1
185.09692	0.4
187.07614	0.4
189.09084	0.7
190.07779	0.4
191.08521	2.4
202.07787	1.0
203.08595	0.9
204.10240	0.3
205.10899	0.4
207.10152	0.7
213.04088	0.3
215.10655	1.1
218.07286	0.4
219.08047	2.6
231.08041	11.2
233.06015	0.6
233.11696	4.3
237.09030	0.4
245.06015	0.4
247.07559	9.9
247.13185	0.4
249.05550	0.6
257.06021	1.1
273.09253	0.3
275.07025	100.0
276.07318	1.7
276.79922	0.3
285.14920	1.2
303.15842	2.5
308.57703	0.3
311.16403	1.0
317.07794	0.4
329.17340	3.3
331.18982	0.4
347.18387	0.6
361.20020	0.8
396.18011	0.6
455.20343	0.3
461.11847	0.6
523.12396	13.6
552.06061	0.3
552.16241	0.3
558.34357	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01867	4.9
55.05516	22.9
57.03431	7.2
57.07098	2.4
65.03944	3.4
67.05510	44.9
69.07076	19.2
71.04967	3.4
71.58403	4.3
79.05496	41.1
81.07069	44.2
83.04987	5.4
83.08618	7.5
91.05491	38.4
92.35174	2.4
93.07048	32.4
95.04972	11.4
95.08073	2.6
95.08620	34.9
97.06551	4.7
97.10195	6.0
103.05470	2.4
104.32291	2.6
105.07034	35.1
107.04950	6.5
107.08593	30.9
109.06537	3.8
109.10148	13.7
115.05502	2.9
117.07075	14.9
119.08584	28.7
121.06469	4.1
121.10148	13.8
123.08061	4.6
123.11727	5.3
125.09609	4.5
128.06198	4.0
129.07019	15.9
130.05098	2.4
131.08589	29.8
133.06480	3.7
133.10135	22.3
135.08080	3.5
135.11685	13.9
141.07018	9.0
142.07829	3.4
143.08583	20.1
145.06483	2.8
145.10136	28.7
147.08032	3.8
147.11717	19.6
147.75655	2.3
149.09674	3.4
149.13301	5.1
155.08586	19.7
157.10143	22.0
159.11739	15.6
161.09653	3.3
161.13266	8.9
163.11206	7.6
167.08589	11.3
169.10162	22.6
170.83475	2.4
171.11729	22.2
173.13300	10.0
175.14798	5.9
179.08585	3.2
179.14308	2.5
181.10109	11.8
182.11034	3.2
183.11765	18.6
185.13249	11.7
187.11177	3.1
187.14847	5.8
193.10162	3.3
195.11708	10.3
197.13243	10.4
199.14856	4.9
207.11861	3.8
207.13762	2.9
209.13301	10.4
211.14859	8.4
213.16492	5.6
215.21159	2.7
219.17502	3.6
221.13431	3.3
223.14861	6.2
225.16432	4.5
227.12816	8.2
231.58624	2.6
237.16428	3.7
239.17929	7.2
241.19504	6.0
257.18958	2.9
259.20602	6.9
275.17523	2.7
275.20200	14.8
276.20480	3.2
281.17352	5.2
299.20160	3.0
313.21832	3.7
333.24194	3.6
423.11530	2.7
437.34036	11.5
447.32700	21.9
465.33743	21.6
483.34875	15.9
501.35895	3.9
511.13422	3.3
521.36194	8.6
529.14764	3.5
529.38513	7.3
539.13312	2.9
539.37427	100.0
540.13220	5.2
556.12878	3.6
557.13983	34.4
557.38666	64.5
558.14227	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01870	5.7
55.05516	15.3
57.03434	4.5
57.07069	5.9
62.40597	2.4
67.05511	36.3
68.58800	2.7
69.07069	13.9
69.93532	17.2
71.22634	2.9
79.05504	24.6
81.03440	3.4
81.07065	32.1
83.04977	4.9
83.08615	10.8
83.98073	3.2
91.05490	22.0
93.07056	30.2
95.04999	6.9
95.08605	19.2
97.10196	4.3
105.07034	30.1
107.04938	6.4
107.08612	14.6
109.06529	4.0
109.10155	13.1
112.34821	3.7
117.07006	12.1
119.08604	17.6
120.92542	2.8
121.10160	9.9
123.08061	4.0
129.07002	15.0
131.08565	24.9
133.10089	15.8
133.96849	3.0
135.11676	6.5
141.06976	6.8
143.08565	21.6
145.06480	4.2
145.10152	20.7
147.11681	11.1
155.08557	17.6
157.10109	16.4
159.08107	3.3
159.11691	9.4
161.13213	7.5
167.08578	7.9
169.10191	16.0
171.11661	16.3
173.13231	5.3
175.14818	4.8
181.10167	7.8
183.11682	12.6
185.13249	11.4
187.11131	4.4
187.14735	5.1
193.10083	3.2
195.11674	10.5
197.13307	9.4
199.14819	7.5
207.11758	3.1
209.13237	4.1
211.14828	4.7
213.16420	5.1
219.11543	3.5
223.14973	3.4
225.16266	3.6
241.19562	4.4
259.20615	8.6
279.15958	3.8
281.17450	6.3
333.24164	4.4
355.70389	3.1
415.53427	3.6
429.31488	5.8
437.33978	8.6
447.32474	22.3
465.33649	20.2
467.37686	4.4
483.34564	12.9
521.36176	8.3
527.38049	3.4
529.38794	9.1
539.37305	100.0
557.38544	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01867	4.9
55.05516	22.9
57.03431	7.2
57.07098	2.4
65.03944	3.4
67.05510	44.9
69.07076	19.2
71.04967	3.4
71.58403	4.3
79.05496	41.1
81.07069	44.2
83.04987	5.4
83.08618	7.5
91.05491	38.4
92.35174	2.4
93.07048	32.4
95.04972	11.4
95.08073	2.6
95.08620	34.9
97.06551	4.7
97.10195	6.0
103.05470	2.4
104.32291	2.6
105.07034	35.1
107.04950	6.5
107.08593	30.9
109.06537	3.8
109.10148	13.7
115.05502	2.9
117.07075	14.9
119.08584	28.7
121.06469	4.1
121.10148	13.8
123.08061	4.6
123.11727	5.3
125.09609	4.5
128.06198	4.0
129.07019	15.9
130.05098	2.4
131.08589	29.8
133.06480	3.7
133.10135	22.3
135.08080	3.5
135.11685	13.9
141.07018	9.0
142.07829	3.4
143.08583	20.1
145.06483	2.8
145.10136	28.7
147.08032	3.8
147.11717	19.6
147.75655	2.3
149.09674	3.4
149.13301	5.1
155.08586	19.7
157.10143	22.0
159.11739	15.6
161.09653	3.3
161.13266	8.9
163.11206	7.6
167.08589	11.3
169.10162	22.6
170.83475	2.4
171.11729	22.2
173.13300	10.0
175.14798	5.9
179.08585	3.2
179.14308	2.5
181.10109	11.8
182.11034	3.2
183.11765	18.6
185.13249	11.7
187.11177	3.1
187.14847	5.8
193.10162	3.3
195.11708	10.3
197.13243	10.4
199.14856	4.9
207.11861	3.8
207.13762	2.9
209.13301	10.4
211.14859	8.4
213.16492	5.6
215.21159	2.7
219.17502	3.6
221.13431	3.3
223.14861	6.2
225.16432	4.5
227.12816	8.2
231.58624	2.6
237.16428	3.7
239.17929	7.2
241.19504	6.0
257.18958	2.9
259.20602	6.9
275.17523	2.7
275.20200	14.8
276.20480	3.2
281.17352	5.2
299.20160	3.0
313.21832	3.7
333.24194	3.6
423.11530	2.7
437.34036	11.5
447.32700	21.9
465.33743	21.6
483.34875	15.9
501.35895	3.9
511.13422	3.3
521.36194	8.6
529.14764	3.5
529.38513	7.3
539.13312	2.9
539.37427	100.0
540.13220	5.2
556.12878	3.6
557.13983	34.4
557.38666	64.5
558.14227	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	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01863	2.5
55.05267	0.9
55.05516	15.8
57.03439	5.1
57.07071	2.9
65.03935	1.4
67.05505	31.2
69.07069	14.0
69.34519	6.3
69.34931	1.8
71.04996	2.4
71.08632	1.3
79.05499	22.0
81.03408	1.8
81.07061	27.5
83.04983	3.1
83.08630	5.0
85.06549	1.4
86.82622	0.7
91.05484	24.7
93.07042	21.8
95.04990	6.5
95.08612	20.8
97.06544	4.0
97.10175	3.3
98.98455	2.3
99.08091	1.8
103.05456	0.7
105.07034	24.3
107.04946	2.3
107.08595	13.8
109.06534	1.6
109.10168	8.7
111.08066	1.7
115.05475	1.9
117.07016	12.8
119.08586	18.6
121.06536	1.5
121.10143	8.9
123.08076	3.4
123.11700	1.9
125.09634	1.4
128.06229	2.9
129.07013	14.6
130.07782	1.1
131.08572	20.0
133.10146	12.2
135.08075	1.9
135.11703	5.6
137.09616	1.9
141.06996	5.4
142.07806	2.9
143.08559	15.7
145.06508	1.9
145.10127	20.1
147.08080	2.1
147.11696	12.6
149.09634	1.9
149.13260	2.0
151.11250	1.2
153.06989	1.9
154.07884	1.0
155.01031	2.2
155.08559	13.1
156.09323	2.2
157.10127	15.9
159.08089	1.4
159.11691	13.7
161.09639	2.7
161.13248	8.2
162.48189	0.8
163.11215	1.8
163.14809	0.8
167.08563	5.1
168.09393	2.4
169.10124	16.1
170.10840	0.9
171.08162	1.0
171.11707	17.3
173.09593	1.0
173.13260	7.6
174.04988	0.7
175.11215	1.6
175.14893	2.6
177.12759	1.8
179.08629	3.4
180.09413	1.1
181.10117	10.9
182.10858	1.3
183.11702	14.3
185.09604	1.2
185.13258	10.9
187.11157	1.8
187.14873	3.0
189.12755	1.8
189.16434	1.2
192.09261	1.0
193.10178	3.0
195.11697	10.8
197.09636	1.1
197.13248	10.7
199.11211	0.8
199.14803	6.7
201.16351	1.8
205.10138	1.0
207.11745	3.4
207.13844	3.0
208.12706	0.8
209.13246	7.4
210.14227	0.7
211.14810	7.6
213.12813	1.4
213.16441	5.3
215.17920	0.9
219.11740	0.9
221.13277	2.7
223.14789	5.3
225.16393	4.0
227.18141	1.3
229.15874	0.9
233.13292	1.4
235.14825	1.8
237.16400	2.4
239.14488	0.9
239.17992	2.2
241.19527	4.8
247.14685	0.9
247.16992	1.6
249.16385	1.6
251.18007	1.5
253.81526	0.8
257.19061	1.8
259.20563	10.1
261.22055	1.1
265.19397	0.9
267.21051	0.8
269.19077	1.0
269.22549	1.0
271.21014	0.8
275.20306	0.8
277.19351	1.1
279.16095	3.4
279.21118	0.7
279.67758	0.9
281.17377	8.2
283.20926	0.8
285.18661	0.9
287.20230	1.3
293.18814	1.3
295.20490	1.0
297.22214	2.4
299.20297	1.1
301.21646	0.9
307.20667	1.2
309.22223	1.5
311.20068	1.4
311.23770	1.8
313.21661	1.2
313.27570	1.5
315.23419	1.5
321.22122	1.2
323.23804	2.4
325.21677	1.7
325.25299	1.4
327.23288	1.2
333.24210	4.4
335.20065	1.0
335.23755	2.3
337.25250	1.4
339.23221	2.1
341.24609	2.0
349.25278	1.9
353.24835	2.2
361.25711	1.0
363.26917	1.0
365.24615	0.9
367.26523	1.5
419.33221	3.6
429.31583	5.0
435.32629	1.1
437.34253	10.6
447.32645	19.5
455.35474	1.8
465.33682	20.7
475.34998	1.0
483.34793	14.6
485.34357	1.6
493.36761	1.0
501.36032	2.2
503.35419	2.2
511.37814	2.6
521.36420	9.9
527.37433	2.4
529.39020	7.5
539.37360	100.0
540.37585	2.4
557.38428	55.4
558.38147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01874	3.3
55.05509	17.3
57.03443	5.3
57.07073	4.0
62.80712	0.9
65.03935	1.5
66.73715	1.0
67.05508	33.4
69.03435	0.9
69.07066	15.6
70.84952	2.9
71.04982	2.9
71.08655	1.0
79.05494	27.9
81.03423	2.8
81.07056	34.3
83.04988	4.8
83.08615	7.4
85.06529	1.5
91.05483	29.3
93.07046	26.1
95.04957	7.2
95.08608	24.5
97.06538	3.9
97.10166	5.6
98.98416	2.2
99.08080	2.2
101.20985	0.9
105.04512	1.3
105.07034	27.0
107.04970	3.9
107.08591	14.9
109.06532	2.9
109.10165	11.0
110.09278	1.0
111.08134	1.1
115.05496	1.4
117.07012	16.6
119.08585	24.0
119.09435	1.2
121.06518	2.0
121.10159	7.9
123.08086	3.3
123.11684	1.1
125.09599	1.5
127.11246	1.5
128.06227	4.7
129.06998	16.1
130.07765	1.6
131.08571	24.3
133.10135	15.9
135.08073	2.0
135.11685	6.3
137.13290	1.1
141.07010	8.6
142.07796	5.1
143.08557	23.2
145.06512	2.1
145.10123	26.2
147.08090	2.2
147.11693	16.4
149.09601	1.2
149.13277	3.5
151.11208	1.5
153.07005	2.3
154.07809	1.9
155.01096	1.8
155.08556	19.8
156.09406	3.3
157.10132	19.4
159.11684	17.6
161.09581	2.4
161.13254	7.5
163.11160	1.9
165.07010	1.9
166.07796	1.2
167.08560	8.2
168.09323	2.4
169.10127	18.8
170.10901	1.7
171.08092	1.7
171.11691	17.9
173.09674	1.7
173.13263	11.9
175.11104	1.2
175.14822	4.5
179.08620	2.9
180.07869	1.0
180.09389	1.9
181.10109	13.7
182.10957	2.2
183.11699	19.0
183.13208	1.6
185.09677	1.9
185.13268	11.2
187.11183	1.9
187.14807	5.0
189.12785	2.8
193.10172	3.4
194.10921	1.2
195.11678	10.0
197.13239	12.9
199.14821	7.7
201.16499	2.6
205.10100	1.0
207.11734	3.7
207.13863	3.9
209.13243	9.5
211.14812	8.0
213.16353	6.3
219.11687	1.2
221.13290	2.1
223.14886	5.5
225.16411	4.3
227.18086	1.3
231.17421	1.3
233.13272	2.2
235.14825	2.4
237.16364	3.7
239.18015	2.5
241.19505	4.8
247.14757	1.8
247.17055	2.2
249.16388	2.2
251.17914	2.1
253.19695	1.2
257.19061	1.9
259.20535	9.7
261.16077	1.2
279.15982	4.1
279.21042	1.7
281.17462	8.8
295.20599	1.5
297.22079	2.0
299.20215	1.4
299.23892	1.6
307.20688	1.6
309.22150	1.8
311.20187	1.7
311.23764	1.3
321.21808	1.1
323.23831	3.4
325.21820	1.3
333.24338	4.2
335.23740	2.0
337.25269	1.1
349.25446	1.5
353.24606	3.2
367.26492	2.0
419.33182	3.9
429.31302	6.4
437.34332	9.8
441.31873	1.1
447.32629	21.5
465.33694	25.1
483.34720	16.6
485.34048	1.2
493.37497	1.2
501.36169	2.2
503.35193	1.9
511.37802	1.8
521.36292	9.7
527.37164	4.1
529.38947	6.9
539.37372	100.0
557.38403	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3474
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
53.00850	2.9
55.01864	6.2
55.05510	28.7
57.07099	3.0
65.03922	3.6
67.05506	40.4
69.03442	5.8
69.07080	17.8
69.39654	30.8
69.42187	2.9
70.83781	2.8
71.05009	4.7
72.96626	2.8
76.29089	3.0
79.05491	35.6
81.03423	11.6
81.07054	37.6
83.04989	5.9
83.08622	17.4
89.99297	2.9
91.05477	41.5
93.07045	29.2
95.04974	12.7
95.07596	3.1
95.08601	27.2
97.06501	5.4
97.10184	20.6
105.07022	31.9
107.04957	8.0
107.08595	22.7
109.06515	9.2
109.10145	14.0
111.04411	3.3
117.07055	18.3
119.08556	25.2
121.06453	4.0
121.10135	11.8
125.08872	3.0
125.09603	17.7
129.06989	12.4
131.08553	23.6
133.06586	3.2
133.10135	25.5
135.07994	7.1
135.11691	7.7
141.06981	6.0
143.08612	15.0
145.10114	21.6
147.08052	4.6
147.11702	9.5
149.09663	4.2
153.06940	3.6
155.08499	9.0
157.10124	15.1
159.08066	6.7
159.11694	12.3
161.13213	4.8
167.08617	3.5
169.10155	14.3
171.08014	5.5
171.11681	13.2
173.09602	4.7
173.13266	8.9
181.10098	7.4
183.11716	7.6
185.13251	9.8
187.14798	4.4
189.11263	4.9
195.11659	3.6
197.13243	8.2
199.14807	5.3
207.11755	5.5
209.13252	4.5
213.16295	3.8
221.13243	3.4
223.14925	4.7
227.12735	6.8
237.16422	4.1
239.18001	3.8
257.18826	4.6
259.20694	3.8
275.20160	11.2
281.13968	3.5
285.05374	6.0
285.22034	7.5
313.21521	18.2
351.23175	4.0
419.29254	8.4
437.30573	10.0
447.29187	16.1
455.20227	3.6
465.30026	41.6
473.15051	6.6
483.13773	4.5
483.30893	27.7
501.14642	10.7
511.13312	7.9
511.34177	15.8
512.13184	3.6
513.35828	4.1
521.32813	6.1
529.14240	6.3
529.35211	40.4
539.12549	13.5
539.33698	90.4
557.13867	100.0
557.27069	5.5
557.34729	97.7
558.14294	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	556.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01862	2.1
56.96576	1.9
61.02918	2.8
67.05494	5.0
69.03444	4.4
69.07076	2.8
70.06583	3.2
71.59285	2.7
73.02891	1.9
77.42378	1.4
79.05495	6.8
81.03407	5.9
81.05825	2.7
81.07037	5.0
82.06586	2.3
83.04992	2.5
85.02905	8.2
85.96024	1.4
86.09721	2.4
91.03948	1.9
91.05477	11.1
93.07027	12.7
94.06551	13.3
95.04961	5.6
95.07347	12.6
95.08591	4.6
96.08130	25.5
97.02892	5.8
97.06541	8.6
98.97559	2.7
99.04468	3.3
103.05464	5.7
105.07037	4.7
107.04950	3.7
107.08601	2.5
108.08127	20.9
109.02866	6.3
109.06471	2.7
109.08917	1.9
109.10165	3.5
110.09677	45.9
110.10382	3.4
111.04446	2.0
116.98615	2.8
117.07037	2.6
118.66123	1.6
119.04950	6.0
119.08614	2.4
120.08109	32.1
121.06467	3.2
122.05977	2.7
123.04420	5.3
124.07647	2.3
125.06037	1.7
125.09590	2.1
127.03909	6.8
131.04910	8.0
133.06471	3.8
133.10161	4.2
135.04446	4.3
136.07573	13.5
137.05980	25.4
138.05519	3.2
138.09129	54.8
145.04970	1.9
145.06462	2.9
145.10086	3.4
146.06001	2.4
147.04391	15.4
148.07559	9.5
149.05998	3.6
151.07570	2.3
152.07074	1.9
161.06032	6.8
162.05542	4.0
163.03879	4.0
163.07515	8.7
164.07071	4.1
165.05447	3.4
165.09102	2.9
166.08633	96.4
167.07036	13.5
172.03822	2.4
173.05949	2.5
173.09566	1.7
177.05501	4.9
177.09079	3.0
179.07033	5.0
180.07849	6.8
181.08475	2.8
184.07350	3.3
187.06021	1.6
187.07579	1.9
187.11330	1.9
189.09032	2.3
190.05035	2.4
193.08575	12.1
205.08611	2.6
207.10197	3.7
209.08089	2.0
215.10709	5.2
225.10236	4.6
227.08179	3.5
233.11681	3.6
237.10271	14.2
238.11008	2.9
239.08203	5.6
239.11783	4.1
241.09766	6.9
251.08139	5.4
252.08975	3.4
253.09706	17.5
255.11307	4.5
265.09714	31.1
266.10489	3.3
267.07651	3.4
267.11285	7.8
269.09274	3.3
279.07620	1.9
281.09186	21.5
283.10779	15.5
287.10400	3.7
293.09198	22.8
295.10779	24.1
299.10312	7.8
309.08475	2.0
311.10226	17.9
313.11679	2.8
315.12164	10.1
321.08661	10.8
325.11880	2.6
327.09692	22.9
330.12601	1.8
332.14917	21.4
339.09772	31.3
339.13394	1.4
341.11237	3.9
353.11441	4.0
359.12347	47.5
363.91818	1.8
369.16910	3.8
371.12344	22.3
388.16574	3.3
393.22418	1.8
394.22534	4.6
404.17972	2.4
410.15930	2.0
418.17422	6.9
428.15991	2.0
436.18829	2.1
446.17099	12.4
448.18521	5.9
464.18143	40.4
474.16473	5.5
492.17639	100.0
493.17490	2.4
506.19287	9.7
507.93033	1.8
524.20203	30.6
556.20270	3.1
556.27472	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	556.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94223	1.2
55.01887	1.4
58.89487	1.1
61.02920	1.4
67.05515	2.7
69.03441	3.0
70.06606	1.5
70.99392	2.5
70.99715	1.5
71.52968	1.1
79.05497	4.7
80.05042	1.5
81.03429	3.9
82.06573	2.2
83.04979	1.5
85.02915	4.2
91.05482	7.4
93.05837	1.3
93.07050	11.4
94.06562	9.4
95.04979	2.9
95.07355	12.6
95.08624	2.4
96.08131	20.9
97.02881	2.6
97.06522	3.6
98.97602	1.8
103.05463	3.1
105.07047	3.4
107.04949	2.4
108.08117	18.9
109.02863	2.6
109.08900	1.9
110.09683	48.2
113.02435	1.3
117.07020	1.8
119.04941	2.8
119.08599	1.8
120.08121	30.1
120.08944	2.7
121.06477	2.7
121.10126	1.7
122.06032	1.6
124.07619	3.1
125.31046	1.4
127.03976	2.0
131.04926	4.4
133.06499	1.4
134.99707	1.6
135.04414	2.9
136.07573	11.8
137.05974	14.5
138.05527	3.1
138.09145	52.3
138.10217	2.5
143.79778	1.2
145.06491	1.6
145.10226	1.8
146.06094	1.2
147.04413	12.6
148.07591	9.5
149.05974	1.7
154.08688	1.5
161.05998	4.4
162.05499	2.8
163.03938	2.0
163.07581	5.3
164.07011	2.1
165.09117	2.0
166.08646	99.4
167.07059	9.6
167.08505	1.2
172.03970	3.5
177.05431	2.3
179.07082	2.7
180.07829	3.7
181.08612	2.5
190.05067	1.3
193.08636	4.5
194.93210	1.3
196.07538	1.5
204.06541	2.3
211.08589	1.8
215.10716	3.0
223.08737	3.3
225.10266	5.7
227.08157	4.4
233.11795	2.4
237.10277	13.9
238.10933	2.7
239.08075	8.0
239.11867	1.9
241.09775	7.2
251.08180	5.9
253.09752	19.3
255.07559	2.2
255.11247	4.4
265.09750	32.4
266.10526	3.3
267.07687	5.1
267.11359	9.6
269.09229	2.2
279.07660	2.0
281.09253	22.0
283.10779	17.5
287.10266	4.2
293.09229	18.7
295.10760	25.5
298.09750	1.5
299.10245	6.0
309.08752	4.9
311.10272	18.2
313.11722	2.6
315.12390	5.3
321.08743	11.9
325.11893	3.0
327.09772	19.7
332.14783	7.7
339.09738	34.3
341.11472	3.1
343.12964	1.6
353.11221	3.9
357.14798	2.2
359.12366	45.7
359.16782	2.8
371.12357	25.0
388.16513	3.4
394.22623	2.9
400.16647	1.9
410.15771	1.3
418.17938	6.1
436.18411	2.8
446.17142	11.0
448.18509	3.8
448.44006	1.6
464.11484	2.0
464.18188	41.1
474.16684	6.9
478.19101	1.7
492.17694	100.0
493.17899	2.3
496.20575	1.6
506.19299	11.3
510.19043	2.1
524.20258	39.0
556.28778	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	555.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30974	0.8
57.05552	0.8
61.19699	0.8
66.67897	0.9
71.21005	2.7
85.47527	1.0
115.05467	1.1
118.06548	15.2
130.06490	1.0
132.08060	4.1
142.06535	1.9
143.07263	1.5
144.04440	0.9
144.08107	11.5
146.06015	54.9
159.09180	4.7
170.06001	4.9
188.07071	100.0
205.09727	53.0
205.11676	1.8
299.81277	1.0
563.31512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21159	0.2
55.01864	0.3
55.05503	0.6
58.21588	0.2
61.02907	0.2
67.05507	0.9
69.07063	0.5
71.58633	0.4
75.38730	0.2
75.46304	0.2
79.05492	1.5
81.03403	0.4
81.07052	1.0
81.62577	0.2
83.08614	0.2
91.03868	0.2
91.05499	1.0
93.07046	0.9
94.28001	0.2
95.04969	0.5
95.08594	0.6
97.06499	0.3
101.86938	0.2
105.07042	0.8
105.32799	0.2
107.04934	0.3
107.08604	0.7
109.06504	0.3
109.10165	0.5
117.06997	0.4
119.08591	0.6
131.08601	0.3
133.10150	0.3
135.08124	0.2
142.07666	0.2
143.08586	0.2
145.10107	0.4
147.11671	0.3
159.08069	0.3
171.11642	0.2
176.06969	0.2
180.11038	0.2
185.04242	0.3
189.11415	0.3
203.05284	0.9
225.12830	0.2
259.07938	0.7
273.06476	0.3
275.20099	0.6
319.21219	0.2
337.22299	0.4
393.26227	1.2
511.32602	0.5
537.30414	1.0
542.56952	0.3
555.31366	100.0
556.31476	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01854	2.2
55.05507	4.4
57.03431	1.6
61.02914	2.4
67.05493	4.2
69.03432	6.8
69.07076	7.8
69.27121	12.5
70.06575	2.7
71.04989	3.0
79.05492	5.6
81.03437	4.9
81.07062	9.6
83.04981	1.7
83.08640	5.7
83.09042	1.1
84.04512	1.5
85.02908	23.9
85.06526	3.0
86.09695	4.1
87.00842	1.3
91.03963	1.4
91.05503	5.1
93.07044	8.0
95.04954	3.5
95.08040	2.0
95.08610	19.4
97.02888	7.5
97.06525	2.4
97.10157	3.5
99.04438	3.1
99.08101	7.1
102.05591	1.3
103.05489	1.3
105.07044	2.5
105.74426	1.1
106.04162	2.7
107.04946	2.5
107.08603	23.6
109.02849	5.7
109.06493	1.8
109.10172	6.7
110.07169	1.8
111.08095	4.1
112.52394	1.0
113.09663	1.5
116.98647	1.5
117.07021	1.0
119.08587	2.9
121.06486	2.8
121.10148	39.9
123.04419	1.5
123.08055	1.9
123.11700	2.5
125.09612	5.2
127.03938	9.9
131.04918	2.8
133.06488	1.2
133.10168	2.3
134.03615	0.9
134.99661	1.1
135.04434	1.7
135.11713	7.1
136.07532	1.3
137.05980	5.7
137.09546	1.0
137.13243	3.8
140.07066	1.1
145.04988	7.7
145.06105	1.4
145.06532	1.5
145.10114	1.1
147.04417	4.2
147.11700	1.3
149.05981	5.5
149.13260	4.3
150.05518	2.1
151.03946	2.0
151.07518	1.3
153.09143	1.5
156.07675	1.4
163.03885	2.7
163.06038	2.9
163.07384	1.2
164.07042	3.1
167.07042	3.0
173.13213	1.6
175.14716	1.9
177.00783	1.3
177.05453	3.9
177.16389	100.0
181.08604	1.3
195.17467	19.0
209.08092	11.8
213.16423	2.2
213.18492	45.6
223.06047	2.8
233.08351	1.5
250.14307	1.1
273.04022	1.1
325.11258	1.3
375.23846	2.9
488.51822	1.1
554.24786	1.5
554.32507	2.1
555.20709	1.7
569.28168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
67.05476	0.5
69.07067	0.3
73.15176	0.3
79.05514	0.3
81.03438	0.3
83.01077	0.4
91.05479	0.5
91.14774	0.3
93.07035	0.4
95.01058	0.3
112.21501	0.4
139.52917	0.3
151.04533	0.4
175.69748	0.4
184.07361	0.5
185.04289	0.4
201.03688	0.3
203.05359	1.2
259.07922	1.0
299.18613	0.4
317.19672	1.0
331.10080	1.0
391.24640	0.6
441.21646	0.3
483.21997	1.1
535.27789	0.6
553.29810	100.0
554.29742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79428	0.2
67.05494	0.3
71.32293	0.4
71.32621	0.3
79.05519	0.2
81.07047	0.4
93.07055	0.2
97.04641	0.2
109.10151	0.3
121.10195	0.2
133.03488	0.2
139.03874	0.2
157.04718	0.6
184.03430	0.5
184.07294	0.2
185.04198	3.0
201.03712	1.4
259.07953	0.6
266.09668	0.2
275.07361	1.7
299.18567	0.3
301.09048	0.4
317.19717	0.3
331.09991	3.5
335.20618	0.5
345.11722	0.5
359.13190	0.6
359.20822	0.3
373.14865	0.7
387.16492	0.3
391.24603	1.1
401.17783	0.6
415.19431	1.2
441.21051	0.5
455.22537	0.9
483.21924	2.0
535.28278	0.6
553.29846	100.0
554.30115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
54.66413	0.2
55.05500	0.5
56.96564	0.3
67.05506	0.7
70.98741	0.6
79.05489	0.3
79.90237	0.2
80.56675	0.3
81.07063	0.4
85.02900	0.3
91.05495	0.3
93.07041	0.5
95.08607	0.5
95.34425	0.3
96.66025	0.2
97.02892	0.2
105.07012	0.5
107.08562	0.3
109.10133	0.5
119.08585	0.3
123.09961	0.2
137.05962	0.3
143.08501	0.3
163.84474	0.3
184.07300	0.4
200.78587	0.2
203.05328	0.7
256.88062	0.2
259.07904	0.7
285.10019	0.3
317.20642	0.4
321.79538	0.2
335.20691	0.5
346.02112	0.3
353.21674	0.3
358.22211	0.3
391.24564	2.3
553.29840	100.0
554.30176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15657	0.8
67.23901	0.9
69.90784	1.6
69.91174	2.8
75.92762	0.9
79.67370	0.9
94.93018	3.2
98.20797	1.4
111.35020	0.9
112.89606	13.2
136.94003	2.6
166.95111	1.2
192.92836	0.9
202.32185	0.9
209.95645	2.0
210.94061	100.0
217.65511	1.0
250.26411	1.1
270.00565	1.1
277.18365	0.9
319.15701	1.0
381.07886	16.9
393.21228	1.3
419.03470	3.7
553.14856	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	553.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02354	0.4
55.05498	0.5
58.63569	0.5
59.18609	0.4
66.59212	0.4
67.05504	1.0
70.11340	1.5
70.11748	0.9
79.05524	1.0
81.03400	0.5
83.01086	1.3
86.09686	0.5
91.05499	0.9
93.07066	0.8
95.01105	0.6
98.20799	0.6
107.08611	0.6
109.10127	0.7
121.34460	0.4
137.06033	0.7
147.11749	0.6
156.03909	0.5
157.04803	0.5
184.07390	1.3
185.04269	0.8
197.28180	0.5
201.03793	0.9
203.05267	1.4
259.07864	2.4
275.07092	0.9
317.19385	0.7
331.10059	3.9
335.20792	0.8
345.11627	1.5
362.33899	0.5
370.52002	0.5
373.14703	0.6
387.16260	1.2
443.22806	1.8
535.27972	0.8
553.29865	100.0
554.29785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99923	0.2
55.05499	0.5
56.05031	0.4
58.06603	0.4
59.53523	0.2
60.08162	6.6
67.05483	0.7
69.03431	0.3
69.07050	0.3
69.75533	1.1
69.75936	0.5
71.04984	0.3
71.07374	2.4
73.53710	0.2
79.05481	0.4
81.03409	0.4
81.07059	0.7
83.04961	0.3
85.02896	0.3
86.09705	28.7
91.05468	0.4
91.30874	0.2
93.07051	0.5
95.04927	0.3
95.08601	0.6
96.21561	0.2
97.06551	0.2
98.98456	2.6
99.08105	0.2
104.10744	5.9
105.07027	0.4
107.04945	0.5
109.10097	0.2
111.08119	0.2
119.08550	0.3
125.00006	19.4
137.05876	0.5
143.00970	0.3
151.11217	0.3
151.82942	0.2
161.06279	0.2
166.02615	0.3
167.07014	0.4
170.99133	0.2
182.35219	0.3
184.07341	100.0
185.07753	0.4
225.91409	0.2
258.11029	0.5
293.21146	0.5
452.23886	0.9
517.71930	0.2
534.31946	2.5
546.93665	0.2
552.33044	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	552.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08455	0.2
53.03939	0.4
55.05507	1.6
56.96602	0.2
57.03439	0.4
57.07071	0.6
61.02939	0.5
67.05501	1.9
68.88826	0.2
69.03413	1.0
69.07069	5.5
70.06591	1.1
70.14865	0.8
71.05002	0.4
73.02908	0.2
75.28928	0.2
75.48901	0.2
79.05508	0.9
81.03426	0.7
81.07050	1.9
83.05001	0.2
83.08622	1.5
84.04504	0.3
85.02905	3.1
85.06541	0.5
88.84226	0.2
91.03969	0.2
91.05482	2.1
93.07038	1.4
95.08607	5.8
97.02895	1.0
97.06518	0.2
98.01860	0.2
103.05460	0.3
105.07030	6.4
107.08602	2.3
109.02885	0.6
109.10162	5.4
117.07027	0.7
119.08582	26.7
121.10139	1.7
123.08054	0.3
123.11704	0.3
125.09649	0.3
127.03923	0.7
131.08562	0.6
133.10130	23.3
135.08109	0.2
135.11697	2.3
137.05995	0.3
137.09636	2.4
145.04984	0.3
145.10103	1.2
147.11688	4.2
149.13292	0.6
151.14818	0.8
159.11653	0.4
160.12468	1.2
173.13229	1.0
175.14825	100.0
176.15187	0.5
177.16400	0.7
182.23262	0.2
193.15880	17.3
234.82887	0.2
254.17494	0.3
319.19034	0.2
328.21143	0.7
337.19925	0.3
344.09863	0.2
372.23703	0.8
377.01758	0.2
396.66171	0.2
534.29218	1.8
552.30133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
60.08154	0.7
61.02917	0.8
63.64220	0.5
66.39124	0.5
67.05499	1.3
69.03413	1.1
69.07076	1.1
79.05480	1.6
81.03435	0.9
81.07060	1.6
85.02897	1.4
86.09702	2.9
91.03984	0.6
91.05484	1.4
93.07052	1.9
94.06567	2.0
95.04935	0.9
95.07333	1.3
95.08589	0.8
96.08129	3.0
97.02859	0.7
97.06524	1.4
101.68586	0.6
104.10709	0.6
105.07099	0.6
106.48729	0.5
108.08131	3.0
110.09678	5.6
120.04458	2.4
120.08108	4.3
122.06042	1.7
124.07555	1.0
124.99993	1.9
127.03938	1.0
136.07562	3.2
137.05995	1.1
138.09117	7.3
148.07594	1.1
150.05498	0.8
150.09184	0.6
152.07028	1.3
163.11244	0.6
164.07082	1.0
166.08646	7.4
173.08272	0.6
176.10806	0.7
177.05479	1.1
184.07335	7.2
185.07710	2.2
186.07803	1.5
194.08134	1.0
223.08705	0.9
223.12334	0.9
224.09377	0.6
225.10271	2.4
227.11798	1.0
229.46204	0.5
235.08624	1.1
236.09409	0.8
237.10225	6.3
238.10979	1.1
239.08112	1.3
239.11700	3.3
241.09940	0.7
245.13002	0.8
248.09491	1.3
249.10266	4.3
250.11043	1.3
251.08160	2.8
251.11790	5.2
252.12604	1.2
253.09720	3.4
253.13489	0.7
261.10339	1.8
263.08255	0.6
263.11789	2.2
265.09711	7.6
266.10553	1.9
267.11212	4.0
268.12076	0.6
269.12787	0.6
271.10876	1.7
271.48276	0.5
277.09747	2.4
278.07596	0.6
278.10400	3.1
279.07730	2.5
279.11325	7.8
280.12064	1.6
281.09280	2.2
281.12881	1.6
283.10736	5.1
285.12460	0.8
287.13882	1.3
289.09735	4.7
291.07693	0.7
291.11273	1.6
293.09476	1.0
293.12866	3.7
294.09976	3.7
294.12967	0.7
295.10779	4.2
296.11642	2.4
297.08890	0.7
297.12396	1.2
298.09460	0.7
299.10342	1.1
300.10870	0.6
306.09726	1.0
307.10745	1.9
308.11554	1.1
309.12268	1.3
311.10294	4.5
311.13998	1.8
312.11090	1.8
313.11902	1.7
314.12720	1.7
317.09433	0.9
321.12219	0.9
323.10480	1.1
323.13980	1.2
324.11124	1.6
325.11816	0.9
326.12585	4.4
327.13458	6.7
335.10205	7.3
336.10956	0.8
339.13388	43.2
340.10599	2.2
354.12167	3.3
355.12830	10.9
367.12866	27.9
387.15427	0.9
408.85706	0.6
451.21118	1.1
460.18723	1.1
474.19849	0.7
479.20496	2.1
488.18158	10.1
492.21234	5.0
520.20795	100.0
521.21240	0.9
538.21991	1.4
552.23383	10.7
552.30798	0.6
557.80469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.283
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
56.49907	0.3
61.02913	0.3
67.05502	0.6
69.72858	1.2
69.73266	0.9
70.16257	0.3
79.05491	0.6
81.03393	0.4
81.07048	0.3
83.04952	0.3
83.08611	0.4
85.02881	0.6
86.09708	0.5
91.05494	0.4
93.07030	0.5
95.08637	0.4
97.06541	0.3
105.07021	0.4
107.04971	0.4
107.08614	0.4
109.02847	0.3
109.10159	0.6
119.08595	0.5
127.03954	0.6
137.05957	0.6
167.06975	0.4
177.05492	0.8
184.07309	1.7
203.05339	0.6
259.07983	1.3
303.04880	1.5
315.19144	0.4
333.19232	0.9
389.22980	1.9
484.02408	0.3
551.28284	100.0
552.28601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.283
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	0.6
67.05521	0.7
69.07058	1.3
71.55862	0.6
71.56284	0.9
79.05495	0.9
81.03448	0.8
81.07049	0.9
86.09700	1.8
90.91158	0.6
91.05466	1.3
91.24460	0.6
92.47885	0.5
95.05004	0.8
95.08636	0.9
135.80617	0.5
137.05989	1.7
145.02834	0.8
177.05443	1.2
184.07355	2.9
229.74420	0.6
242.51228	0.5
303.05020	1.2
389.23083	2.3
450.80032	0.6
551.28320	100.0
552.28430	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
57.03428	2.0
60.44641	1.0
61.02936	2.5
61.73519	1.4
67.05506	4.9
69.03424	5.6
69.07070	2.7
70.06582	4.1
71.56399	2.0
73.02884	1.8
74.55131	1.2
74.89609	1.3
79.05495	3.3
81.03414	4.6
81.07061	2.7
83.08641	1.6
84.04516	1.5
84.96037	1.2
85.02912	9.8
85.62422	1.1
87.04466	1.4
91.05496	3.6
93.07039	3.5
94.06575	3.4
95.04996	1.9
95.08598	3.4
96.08138	3.4
97.02888	4.0
97.06544	4.4
99.04475	2.0
100.11257	5.5
105.07040	3.1
107.07228	1.3
107.08604	2.2
108.08127	3.7
109.02890	6.4
109.10156	1.5
110.09695	6.0
119.08640	1.5
120.04458	3.5
120.08130	3.8
121.06477	1.4
121.10154	2.0
122.06049	12.3
123.11691	1.5
124.07531	1.8
127.03912	5.0
131.04971	1.2
133.10181	1.7
136.07584	10.2
137.05989	5.5
138.09171	8.1
145.02869	4.0
145.04944	2.7
145.10152	1.2
146.03197	1.5
146.06020	1.4
147.04413	3.8
147.06825	1.6
148.07506	2.7
152.07025	1.4
153.01833	14.8
154.02168	5.7
164.07060	7.7
165.83879	1.3
166.08650	9.6
171.02910	8.4
172.03273	2.8
175.14847	1.5
176.07167	3.4
176.10762	4.3
177.05495	5.2
178.05901	2.4
182.08127	1.7
189.00815	1.6
204.10193	3.0
205.10938	2.2
209.16490	1.5
210.14841	1.9
223.12234	1.5
224.09415	1.5
225.10216	2.1
227.11891	1.6
237.02808	1.7
237.10257	7.7
238.10928	2.1
239.08095	1.7
239.11783	2.8
241.86221	1.1
249.10292	4.2
251.08223	3.0
251.11816	5.4
253.09703	3.9
254.10611	1.4
259.09604	1.3
261.10254	2.5
263.11792	3.5
265.09686	8.3
267.11349	5.8
277.09711	2.9
278.10455	3.0
279.07950	2.5
279.11310	9.3
281.09293	2.4
281.12668	1.8
282.09955	1.4
283.10764	5.9
289.09628	5.7
291.11368	1.8
293.09421	1.9
293.12900	3.8
294.09927	5.2
295.10776	2.8
296.11450	2.7
299.10159	1.9
302.17426	6.3
303.08719	7.5
304.05743	2.4
304.08951	14.5
306.09869	2.9
308.11307	1.8
309.12231	3.2
311.10251	5.5
311.13995	3.5
312.11078	2.0
313.11743	2.5
314.12817	1.3
323.13901	1.7
326.12598	4.8
327.13486	8.6
335.10370	7.3
337.23764	1.6
339.10138	1.8
339.13412	45.7
340.10516	2.7
347.07922	2.8
348.07962	3.7
354.12097	3.8
355.12924	11.9
367.12872	26.7
369.14435	1.7
451.22668	1.4
455.63113	3.0
472.27124	3.5
479.20493	2.8
488.18048	13.9
490.28030	15.0
492.21136	4.1
506.22702	1.5
520.20856	100.0
521.21191	2.0
534.30658	7.7
551.46429	2.9
552.24023	18.2
552.44965	5.3
562.51849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01867	0.8
56.06411	0.2
57.03428	0.7
61.02919	0.9
68.99786	1.0
69.03429	6.9
69.03809	0.4
70.85203	0.4
70.85537	0.2
71.04986	0.7
72.84596	0.2
73.02914	1.0
73.47688	0.2
74.81902	0.2
79.05478	0.3
81.03416	5.1
81.07072	0.2
85.02905	6.6
87.00822	4.0
89.54534	0.2
91.03951	0.9
91.05487	0.4
95.04943	0.4
97.02891	3.2
97.06521	0.3
99.04449	1.6
101.02358	0.2
103.03914	0.4
105.01869	2.5
105.07066	0.3
107.04908	0.2
109.02869	3.7
111.00812	0.7
117.01842	1.5
121.02850	1.0
123.04424	0.5
127.03913	6.6
129.01804	0.4
131.38016	0.2
133.10124	0.3
135.04410	0.2
137.02353	2.9
137.03392	0.3
137.05981	0.4
138.04587	0.2
145.04965	1.9
147.03046	0.2
147.04408	0.2
149.02275	0.3
149.09540	0.2
151.03871	0.5
153.01831	3.7
159.02890	4.4
161.06009	0.3
163.03922	0.7
163.06004	0.4
165.01834	2.0
166.02570	0.3
173.05974	0.5
177.05428	0.2
183.02882	0.9
183.04352	0.3
191.03430	0.3
195.02861	0.2
201.05466	1.3
209.15262	0.4
216.49768	0.2
219.06488	0.3
229.04980	4.0
231.05019	2.4
247.06015	0.9
257.04419	2.9
258.04788	0.2
274.04688	0.9
275.05789	0.2
285.03937	1.4
303.04987	100.0
304.05347	1.0
315.05115	0.2
345.05948	0.4
369.06027	0.3
419.93893	0.2
551.11743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1032
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03954	0.6
55.01859	0.5
55.05506	0.2
57.03436	0.6
61.02922	0.4
67.01903	0.1
68.99796	0.8
69.03429	5.3
70.06581	0.3
70.89541	0.1
71.01333	0.2
71.04987	0.8
71.59698	0.2
73.02898	0.3
74.09704	0.1
79.05484	0.1
80.48178	0.1
81.03419	4.1
81.46950	0.1
83.01333	0.5
83.04940	0.1
85.02907	6.6
86.09695	0.1
87.00833	3.2
87.04462	0.5
91.05472	0.3
93.03400	0.2
93.07038	0.2
93.86326	0.1
95.04966	0.5
95.08627	0.2
97.02892	8.1
97.06515	0.2
99.04449	2.5
101.02347	0.3
103.03917	0.3
103.05499	0.1
105.01855	1.7
105.07023	0.3
107.08626	0.2
109.02145	0.1
109.02880	2.3
109.06459	0.1
109.10142	0.2
111.00789	1.1
115.03986	0.2
117.01852	0.2
119.08549	0.1
121.02874	0.9
121.06493	0.1
123.04467	0.6
125.09694	0.2
127.03918	6.2
131.04890	0.2
131.72675	0.1
136.07571	0.2
137.01349	0.2
137.02344	2.9
137.03392	0.2
137.05960	0.5
137.09554	0.1
145.02910	0.2
145.04962	2.4
145.06235	0.2
145.06490	0.2
147.04468	0.2
149.02321	0.5
153.01828	4.4
155.04907	0.2
159.02887	0.8
159.04236	0.2
161.05968	0.3
163.03908	0.9
163.06006	0.3
164.06979	0.1
165.01845	1.9
166.02631	0.3
171.02890	0.3
173.05991	0.6
174.44659	0.1
177.05496	0.3
183.02890	1.0
183.04440	0.4
187.03932	0.3
191.07138	0.2
195.02809	0.2
201.05449	2.0
205.04951	0.3
211.03810	0.2
213.03873	0.2
213.05656	0.2
219.03009	0.2
219.06609	0.2
228.04204	0.2
229.04964	4.6
231.02968	0.2
231.05023	1.6
239.01845	0.2
247.06012	0.7
257.04465	2.7
274.04739	0.9
275.05499	0.2
279.04340	0.1
282.56845	0.1
285.03964	1.1
286.04501	0.1
287.05536	0.2
294.34277	0.1
303.04990	100.0
304.05319	0.9
361.02344	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	549.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01855	5.9
55.05514	15.1
57.03421	8.1
57.06548	2.0
57.07061	5.6
67.05507	72.4
69.03419	4.2
69.07069	17.8
69.93473	9.7
71.04984	6.3
79.05495	38.1
81.03405	5.1
81.07059	70.8
83.04978	6.2
83.08611	7.4
85.02853	3.3
85.06544	6.6
90.11198	1.8
91.05482	45.2
93.06477	2.7
93.07047	38.7
95.04967	6.2
95.08612	32.6
97.06538	3.9
97.10159	2.8
99.04439	2.8
105.07030	40.9
107.08596	51.7
109.06516	6.0
109.10155	70.7
113.05995	4.2
117.07046	4.1
119.08615	10.5
121.10197	10.9
121.10938	2.1
123.11743	13.7
127.07526	2.3
131.08580	7.6
133.10135	74.6
135.11687	14.7
137.13284	4.0
143.08568	3.2
145.10097	9.6
147.11671	5.5
149.13258	4.1
151.11185	33.6
159.11626	3.3
161.09567	2.8
161.13313	5.7
163.14880	4.8
169.12276	6.8
173.13220	4.7
177.16383	3.2
187.14839	3.3
193.12166	2.6
215.12889	4.3
233.22931	2.1
243.21072	5.7
253.14363	100.0
261.22144	27.7
271.15408	40.8
279.23212	6.2
282.29456	2.1
317.24588	4.6
335.25827	35.3
353.26920	3.4
411.32556	2.5
421.31277	3.6
439.31848	4.1
457.32974	7.1
513.35815	13.8
531.36652	31.9
549.35919	11.1
549.48834	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	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57325	0.2
56.05025	0.4
58.06606	0.5
59.07374	0.3
60.08165	6.4
60.27464	0.2
61.25480	0.2
66.47321	0.2
67.05503	0.6
69.07055	0.3
71.07378	2.7
77.75746	0.2
79.05472	0.6
81.03428	0.4
81.07051	0.9
85.02895	0.4
86.09707	28.1
91.05456	0.6
93.07029	0.5
95.08588	0.4
97.02875	0.4
97.06509	0.3
98.98469	2.9
103.86069	0.2
104.10747	8.6
105.06997	0.5
107.04967	0.3
107.08598	0.4
109.10211	0.2
119.08540	0.4
125.00008	20.9
127.03876	0.3
133.10162	0.3
135.11688	0.3
137.05948	0.7
143.01015	0.3
145.02902	0.3
147.11687	0.3
184.07343	100.0
185.07668	0.2
229.63948	0.2
258.11020	0.2
267.71304	0.2
303.04987	0.3
368.98981	0.2
452.24039	1.0
457.49576	0.2
492.27118	0.3
514.29523	0.4
532.30200	2.0
550.23126	0.3
550.31433	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01869	5.8
55.05509	12.9
56.92620	1.7
57.03415	7.7
57.07062	4.5
67.05505	75.5
69.07063	21.1
71.04979	6.1
71.08635	3.3
79.05495	26.3
81.03407	4.7
81.07053	67.5
83.04975	6.4
83.08612	7.6
85.06536	5.4
91.05480	40.0
93.07042	41.8
95.04957	5.1
95.08600	37.7
97.06505	3.5
97.10180	2.7
98.21510	5.3
99.04417	2.5
105.07027	35.0
107.08595	44.7
109.06522	6.4
109.10152	67.4
117.07018	7.2
119.08553	10.6
121.10119	13.1
123.08053	2.7
123.11726	15.9
127.07558	3.2
131.08539	13.0
133.10135	66.0
135.11674	12.9
137.13240	2.6
145.10117	5.8
147.11696	5.9
149.13228	6.2
151.11174	32.3
159.11684	4.0
161.13232	3.9
163.14842	2.5
165.21848	1.9
169.12230	8.6
170.22050	2.1
173.13252	4.8
184.07486	3.4
215.12796	5.8
219.13641	2.0
243.21178	4.5
253.14352	100.0
261.22150	26.3
271.15387	41.3
279.23163	3.7
287.92365	2.5
317.24539	4.4
335.25827	28.9
439.32150	5.6
457.33316	4.1
513.35736	11.1
531.36572	27.1
549.37219	11.7
549.48376	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01881	3.4
55.05502	1.8
55.61431	1.2
56.01325	1.3
57.03434	9.5
57.07079	1.7
59.05005	2.1
60.04515	1.2
60.29048	1.3
61.02912	11.8
67.05515	4.7
68.99785	1.3
69.03431	31.4
69.07069	2.4
70.06593	2.1
71.04993	8.8
71.56451	1.9
72.08136	1.3
73.02927	3.4
79.05497	3.5
81.03424	15.7
81.07070	6.7
83.04994	3.6
83.08615	2.0
85.02908	100.0
85.06541	1.8
87.00870	1.2
87.04475	4.2
91.03976	4.7
91.05499	5.1
93.07058	4.2
95.04975	4.7
95.08610	5.6
97.02889	35.9
97.06554	5.5
98.97623	1.7
99.04476	6.4
103.03938	2.0
103.05482	1.3
105.07034	7.5
107.04939	7.1
107.08621	6.3
108.05251	2.1
109.02881	11.2
109.06537	6.3
109.10181	2.6
111.04408	1.6
111.96677	1.3
117.07071	1.4
119.04974	2.9
119.08620	5.2
120.05365	1.5
121.06529	5.5
121.10120	8.4
123.04460	1.7
123.08076	43.7
125.06036	3.6
127.03914	31.2
127.04778	2.2
131.08574	3.2
133.06532	4.0
133.10132	8.7
135.08076	2.3
135.11743	3.0
137.06009	3.2
139.03932	2.5
145.04967	40.6
145.10129	3.9
147.04439	3.7
147.08051	1.5
147.11742	3.1
149.06035	2.3
149.09654	3.6
151.03938	2.2
151.07549	72.7
153.09142	4.4
159.08040	1.5
159.11674	1.5
161.13347	3.2
163.03963	3.0
163.06029	7.6
163.07385	1.6
163.11194	19.2
165.09198	2.1
165.12715	1.4
167.07040	2.2
171.11655	3.1
174.10536	1.7
177.05600	1.3
181.12238	9.7
189.07542	1.7
189.09247	1.6
189.12747	21.0
191.14346	4.6
205.12410	1.6
207.13814	78.3
209.15337	9.3
223.13422	2.9
225.14865	14.1
230.09192	1.9
240.08968	1.6
243.08998	1.3
261.07578	1.3
261.10785	2.5
263.35178	1.3
309.08856	2.6
327.09747	1.6
343.04669	2.5
369.19312	4.7
387.20181	15.5
454.10391	1.4
499.14069	2.7
531.24323	5.6
549.12250	3.1
549.17822	2.6
549.25562	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.05514	22.4
57.03447	3.0
57.07063	4.7
65.03933	4.1
67.05508	82.7
69.03424	3.4
69.07063	16.7
71.04984	6.0
71.58808	2.7
77.30634	2.1
79.05492	49.4
81.03405	2.7
81.07059	69.3
82.89283	1.6
83.04982	5.8
83.08628	9.8
85.06538	6.6
91.05483	75.7
93.07048	50.6
95.04977	9.6
95.08617	33.3
97.06543	5.2
97.10181	4.0
105.07038	49.2
107.07877	2.6
107.08601	44.6
109.06534	7.2
109.10159	58.7
113.06019	5.1
117.07015	14.0
119.08582	18.9
121.10144	15.0
123.11722	8.0
128.06183	2.9
131.08568	12.7
133.10130	100.0
135.11670	12.1
137.09645	2.2
139.11142	2.0
143.08574	8.5
145.10136	5.8
147.11711	5.2
148.16554	2.0
149.13304	5.8
151.11194	45.6
159.11691	4.6
161.09625	24.5
161.13318	5.3
163.14865	3.4
169.10193	1.9
169.12296	10.8
170.46965	1.8
171.11734	2.8
173.11760	6.2
173.13310	5.6
179.10683	21.7
197.11786	8.1
215.12798	37.9
219.44643	1.8
227.16354	4.0
229.14464	3.7
243.21230	1.9
253.14345	23.8
261.22086	11.7
271.15411	44.9
271.18097	3.1
279.23260	2.0
289.16537	2.0
290.32703	1.7
291.84283	1.8
317.24756	4.4
335.25867	21.2
369.51013	2.1
377.27197	2.4
489.35181	2.1
513.36304	3.7
531.37012	12.5
549.38037	70.9
549.48395	3.7
550.38342	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32375	1.9
55.05507	15.6
57.03439	18.2
61.02915	5.2
67.05499	37.3
69.07059	10.2
71.04990	3.6
71.58530	2.7
71.58876	2.9
79.05495	36.5
81.03401	2.5
81.07053	49.2
83.04985	3.3
83.08627	5.0
85.02899	5.7
85.06548	5.9
91.03962	2.2
91.05484	32.4
93.07047	50.3
95.08609	35.5
97.02896	5.5
97.10132	3.0
99.08100	3.5
103.05433	4.4
105.07046	35.2
107.04967	5.2
107.08601	30.5
109.06532	6.4
109.10176	13.2
111.08069	3.0
117.07005	14.4
119.08573	25.6
121.10146	27.8
122.03664	3.4
123.08075	3.7
123.11671	2.5
125.09607	3.6
128.06180	2.8
129.06993	7.0
131.04945	6.8
131.08559	21.3
133.10123	21.4
135.11687	24.1
137.05977	62.8
138.06322	22.3
138.71826	2.2
139.11200	4.0
143.08612	5.3
145.10098	18.7
147.08015	2.7
147.11674	19.8
149.09641	2.9
149.13275	11.4
155.08574	2.6
157.10109	2.8
159.07999	2.4
159.11673	18.9
161.05882	2.5
161.13263	13.0
162.88065	2.0
163.07500	9.4
163.14857	4.8
164.07884	5.1
166.12196	2.2
167.07043	5.7
171.11711	7.5
173.13268	9.3
175.14819	5.2
177.09120	4.5
177.12770	6.2
179.14336	3.0
185.13277	7.5
187.07553	8.6
187.14745	10.9
188.07935	2.8
199.14880	4.3
201.16454	3.8
205.15863	3.5
219.17299	2.7
221.19002	2.3
231.20976	2.1
241.19572	13.7
251.07048	2.4
259.20584	37.6
259.23065	1.8
269.17493	8.3
277.08597	2.8
277.21606	25.7
278.08853	3.9
284.09985	2.9
309.11209	13.0
310.11523	15.9
311.12732	2.8
333.24258	5.0
351.25275	100.0
447.13452	3.6
488.21280	6.5
534.60718	2.4
548.23254	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	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	6.9
61.02953	7.0
63.76656	5.5
67.05489	16.5
69.07061	10.3
69.37579	14.4
69.38000	44.0
73.22188	5.9
79.05497	34.8
81.07053	24.4
85.02913	12.1
91.05485	31.0
93.07043	32.3
95.08611	15.3
98.21497	10.8
103.05497	9.5
105.07006	41.3
107.08605	20.1
109.06525	6.1
109.10133	9.7
117.07031	12.7
119.04887	8.0
119.08584	25.9
121.10150	19.3
131.04951	8.5
131.08566	8.2
133.10135	25.7
135.11674	17.4
137.05965	55.7
138.06367	12.6
145.10124	12.3
147.11662	24.6
149.13336	6.0
157.10094	6.7
159.11685	16.8
161.13277	15.6
163.07533	9.6
173.13264	7.2
175.14833	6.3
177.09120	7.3
177.12724	5.6
184.07343	18.2
187.07509	7.7
189.09256	6.5
241.19650	26.9
259.20624	55.8
259.80170	5.3
284.12723	8.8
286.11475	7.6
289.08688	7.5
312.13321	7.6
351.25287	100.0
358.81580	6.1
488.21149	7.4
516.75708	6.2
533.15955	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	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.0
55.05499	10.2
57.03427	4.9
61.02912	6.4
67.05505	25.5
69.07057	9.1
70.18935	10.1
79.05487	37.8
81.03402	3.7
81.07062	26.4
83.08624	4.9
84.38847	3.1
85.02911	8.0
91.03994	4.1
91.05483	35.8
93.07045	41.7
95.04987	5.9
95.08621	18.8
97.02881	3.5
98.20758	3.6
103.05452	4.4
105.07035	34.2
107.04970	4.7
107.08593	22.8
109.10150	10.4
117.07022	13.1
119.08569	32.2
121.10164	17.2
122.03653	3.8
129.06998	9.8
131.04935	4.9
131.08566	14.4
133.02841	5.8
133.10138	29.1
135.11668	13.7
137.05978	35.1
138.06332	8.1
143.08591	9.7
145.06476	5.4
145.10129	11.6
147.11650	31.9
147.74635	3.3
149.09612	3.6
149.13239	9.7
157.10156	8.5
159.11700	14.5
161.05923	4.0
161.13251	17.8
163.07579	7.6
163.14801	5.1
167.07072	4.6
171.11653	8.1
173.13298	5.6
175.14783	8.0
175.38649	3.4
185.13220	5.8
199.14838	6.5
215.10699	8.4
216.10983	7.3
231.21077	4.8
241.19548	22.3
259.20584	76.0
277.21661	4.2
284.12723	5.0
311.12701	4.9
312.13089	4.7
333.24292	4.4
347.07739	3.1
351.25293	100.0
488.21460	3.6
514.13104	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
56.05032	0.5
58.06619	0.4
59.07395	0.2
60.08166	6.6
67.05485	0.5
68.45350	0.2
68.99757	0.2
69.03420	0.2
69.07066	0.5
71.07372	2.8
79.05488	0.7
81.03435	0.5
81.07058	0.3
85.02890	0.3
86.09708	30.8
91.05489	0.6
91.29710	0.1
93.07056	0.3
95.04964	0.3
95.08618	0.2
97.02895	0.2
97.06521	0.3
97.10187	0.2
98.20676	0.2
98.98468	2.4
101.02378	0.3
104.10744	4.2
105.07052	0.3
107.04939	0.2
109.02876	0.2
109.10173	0.5
117.03369	0.4
117.07006	0.2
118.03726	0.2
122.06003	0.2
125.00008	20.3
134.10486	0.2
137.05998	0.5
143.01059	0.4
145.02834	1.2
146.03171	0.5
147.04399	0.2
149.09555	0.2
166.02730	0.2
177.05489	2.0
178.05786	1.3
184.07343	100.0
190.06163	0.2
264.63312	0.2
350.24054	0.2
368.25119	0.2
530.28931	1.0
543.16992	0.2
548.21490	0.4
548.29889	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	547.3998
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03948	4.8
53.10987	2.9
54.08553	2.8
55.01879	3.4
55.05518	18.0
57.03427	4.5
57.07063	4.5
57.88946	2.8
59.04999	3.4
59.97289	2.8
65.03934	3.5
67.05172	3.9
67.05506	56.2
69.07072	22.2
69.23965	36.7
71.05000	21.0
79.05503	33.7
81.03402	12.4
81.07067	44.5
83.04984	5.3
83.08627	15.1
85.22971	2.7
91.05478	33.9
93.07047	40.0
95.04989	16.4
95.08612	35.2
97.06520	10.0
97.10178	8.6
103.47140	2.8
105.07034	24.1
107.04978	4.6
107.08596	23.4
109.06499	4.7
109.10157	34.4
110.76511	3.1
117.07007	9.1
119.08585	22.4
121.06495	4.5
121.10167	21.8
121.71456	2.7
123.08056	3.7
123.11686	8.2
125.09629	5.8
129.07004	5.2
131.08556	13.1
133.10150	17.0
135.11676	18.8
137.09608	9.5
143.08592	3.8
143.67978	3.1
145.10115	15.2
147.11710	10.0
149.13268	7.1
155.08513	3.5
157.10135	8.9
159.11729	7.2
161.13298	4.2
163.11230	7.4
169.10184	3.8
171.11623	3.8
173.13274	5.0
175.14966	3.2
187.14830	3.5
193.12210	5.1
206.02368	3.0
209.13298	3.8
227.12804	13.4
256.64188	3.2
267.15906	11.0
269.17398	5.3
337.27335	12.9
455.35239	5.0
473.36484	4.7
477.62680	3.3
494.94998	3.3
497.36438	3.8
503.37283	10.4
515.37177	29.5
529.38904	42.0
547.40656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46624	1.3
51.72388	1.2
53.00309	1.6
53.03935	2.3
54.22948	1.1
55.01873	8.7
55.05516	14.1
57.03439	12.2
57.07081	3.5
65.03960	2.2
67.05508	69.4
69.03436	4.2
69.07072	17.6
71.05001	7.6
71.60315	1.9
73.02921	1.6
79.05495	44.1
79.05956	2.5
81.03430	4.1
81.07056	69.7
83.04985	7.8
83.08621	6.3
85.06538	10.3
88.35032	1.4
91.05481	80.1
93.07042	56.2
95.04961	12.5
95.08608	28.7
97.06529	5.2
97.10193	3.0
99.04406	2.1
99.08108	3.0
103.05460	2.0
105.07031	78.2
107.04945	3.3
107.08598	52.4
108.08891	2.0
109.06527	5.1
109.10158	64.1
110.10484	1.9
111.08086	1.6
113.06039	3.7
115.05481	1.6
117.07006	12.9
119.08590	39.0
120.08924	1.7
121.10137	15.9
123.08056	3.6
123.11689	10.9
127.07577	3.5
128.06224	2.4
129.06975	9.3
131.04939	1.7
131.08569	16.4
133.02885	1.7
133.10130	100.0
135.08069	2.2
135.11678	15.0
137.06004	6.9
137.09653	2.1
143.08549	10.6
145.06509	2.1
145.10130	13.4
147.11693	29.9
149.09641	3.0
149.13235	8.2
151.11188	34.6
155.08528	2.9
157.10155	8.6
159.11707	14.1
161.09634	4.3
161.13284	23.9
163.07538	2.2
163.14865	3.9
169.12242	8.7
171.11725	10.3
173.13322	9.1
175.14828	10.7
183.11670	2.5
184.07283	2.2
185.13254	6.3
187.14888	4.0
197.13219	1.7
199.14830	6.1
201.09146	1.6
203.14366	1.9
213.16339	2.1
215.12808	5.5
231.21086	8.1
241.19521	28.3
250.23840	1.5
253.14363	71.4
254.14655	1.9
259.20593	59.5
259.23398	2.9
271.15402	55.4
277.21683	7.3
315.23215	5.3
333.24231	42.4
351.25238	4.0
406.30209	1.4
437.30240	1.7
444.66376	1.5
455.31564	3.4
511.34048	6.9
529.35144	27.7
547.38269	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	547.1603
Annotation	Fisetinidol-(4alpha->8)-afzelechin
Peak:m/z	Relative Intensity
51.02386	0.7
53.03946	1.2
55.01878	1.2
57.03439	0.6
61.02909	0.9
65.03931	1.2
67.05503	1.9
68.99474	0.5
68.99788	2.6
69.03428	1.9
69.07082	0.6
71.04977	0.5
71.56752	1.2
79.05495	2.5
81.03400	1.9
81.07057	1.6
83.04981	1.0
85.02890	2.7
91.05479	5.0
93.07069	1.0
95.04971	3.6
95.08600	0.6
97.02924	1.5
97.06525	1.3
99.04463	1.2
103.03877	0.7
103.05486	1.7
105.07036	2.3
107.04959	100.0
107.08575	1.3
108.05269	1.1
109.02876	2.4
109.06499	0.7
109.10166	1.3
111.00819	1.2
111.04434	1.6
115.05499	0.6
116.98751	0.5
117.07001	1.1
119.04951	22.4
121.02866	2.1
121.06509	2.4
121.10155	1.6
122.06071	0.7
123.04452	3.1
125.09634	1.0
126.90670	0.5
127.03949	3.2
131.04919	1.5
131.08540	0.7
133.06509	2.6
133.10110	5.4
135.04433	1.0
135.08066	1.1
137.02356	0.7
137.05957	1.8
137.09583	3.4
139.03911	13.2
145.04906	0.8
145.05289	0.7
145.06516	7.8
145.10129	0.6
147.04414	30.6
147.11591	0.6
148.04791	0.7
149.02368	3.5
149.05995	8.3
149.13353	0.6
151.03909	4.4
157.06511	1.7
161.05998	2.5
163.03906	3.7
165.05560	0.7
167.03433	6.7
167.07042	0.8
171.04422	2.9
173.05957	1.6
173.13257	0.8
175.03946	1.6
175.07480	0.8
177.05505	2.5
179.03368	4.3
185.06013	2.0
187.03925	0.6
187.07558	1.6
189.05493	4.1
191.03386	5.3
191.07063	2.0
191.14322	1.4
193.04976	3.3
197.06001	1.3
199.07573	1.4
201.05515	1.6
203.03427	6.4
213.05484	2.5
215.03256	0.7
215.06972	0.8
217.05029	1.7
227.07030	2.2
229.04961	2.0
231.06543	15.5
233.04547	1.0
239.07257	1.4
241.05017	1.6
243.06590	2.3
245.04471	8.4
245.08179	1.9
255.06532	8.6
257.04459	10.1
258.05219	1.5
259.06268	0.8
267.06497	3.3
269.04529	2.0
269.07947	3.0
271.06036	2.4
273.07574	13.5
273.46106	0.6
275.05548	5.7
275.09137	8.3
285.07620	4.5
287.05560	21.9
287.09073	2.2
288.05646	0.6
291.14322	1.0
297.07651	0.7
299.05576	7.3
315.08667	1.0
329.07141	0.7
355.15479	0.7
379.11771	1.9
393.09689	24.3
393.14813	1.2
394.10242	1.3
403.11865	4.7
405.09598	2.6
411.10886	3.3
421.12634	1.9
423.10809	5.1
435.18628	1.0
521.02826	0.6
547.22815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60702	0.7
53.03949	0.8
55.01872	1.9
65.03951	0.9
67.05502	1.5
68.99790	3.6
69.03431	1.7
70.06588	2.2
71.05004	0.8
71.59014	0.8
71.59416	1.0
79.05505	1.7
81.03428	1.4
83.04958	1.5
85.02921	3.8
91.05490	5.1
95.04989	3.6
97.02895	2.1
97.06529	0.9
99.04465	0.9
103.05460	1.3
105.07026	1.7
107.04957	100.0
108.05258	0.9
109.02876	1.8
109.10107	1.2
111.00820	2.2
111.04434	2.4
115.05441	0.8
116.59010	0.7
117.07002	1.3
119.04948	44.4
119.08625	0.8
120.05193	0.8
121.02900	5.8
121.03682	0.7
121.06513	2.2
123.04417	5.3
123.08082	0.9
125.09763	0.7
127.03946	5.0
131.04910	1.8
133.06477	6.1
133.10107	1.0
135.04439	1.7
135.08038	1.0
137.02364	0.8
137.05992	1.5
139.03906	37.2
141.07100	1.1
145.02841	0.8
145.06494	12.5
145.07625	0.9
147.04411	40.3
149.02356	7.0
149.05997	10.1
151.03912	10.1
153.06995	0.9
157.06508	3.4
159.08026	1.6
161.05991	6.2
163.03911	3.5
163.11134	1.0
165.05583	1.1
167.03404	15.5
167.19873	0.8
169.06479	1.3
171.04398	9.3
171.08017	1.3
173.05956	1.2
174.96825	1.2
175.03963	3.2
177.05533	2.6
179.03354	6.2
181.05000	0.9
181.06450	1.8
185.06035	3.7
187.03966	0.9
187.07515	4.0
189.05473	7.1
191.03416	7.5
191.07072	2.4
193.04985	2.9
197.05989	1.5
199.07576	2.2
201.05527	2.2
203.03412	5.6
211.07782	0.9
213.05450	3.7
215.03261	1.2
215.07127	0.7
217.04994	1.2
227.07025	5.7
229.05002	3.1
231.06532	16.9
233.04514	3.3
243.06606	5.0
245.04454	4.9
245.08089	5.2
245.10478	0.7
255.06561	12.9
257.04446	6.4
257.08096	1.2
259.06082	0.7
267.06534	5.2
269.04541	2.5
269.07898	1.0
271.06030	1.1
273.07596	26.8
275.05588	8.1
275.09189	22.7
285.07593	11.9
287.05518	19.0
287.08655	1.2
299.05530	4.1
303.04965	1.8
311.05444	0.8
379.11841	2.3
393.09689	20.7
393.14764	1.2
394.10245	1.6
403.11905	1.0
404.59094	0.8
405.09772	2.5
411.10736	5.8
413.63071	0.7
423.10953	2.4
429.00000	0.9
547.16486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1602
Annotation	Epiafzelechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
55.01867	1.7
55.05513	0.9
59.63345	0.9
67.05496	2.1
67.61544	0.8
68.99796	3.9
69.03425	2.5
70.06588	1.7
70.96444	1.9
70.96783	1.3
71.72126	0.8
71.74091	0.9
74.06062	1.2
79.05493	2.2
81.03422	1.5
83.04997	2.0
85.02891	2.9
86.09702	1.1
91.05474	7.3
93.07029	1.1
94.06572	3.3
95.04968	3.8
97.02872	1.6
97.06578	1.1
103.05481	1.1
105.07013	1.4
107.04957	100.0
109.02894	1.7
109.87782	0.8
111.00819	1.9
111.04452	2.7
117.07025	1.0
118.77088	0.9
119.04946	42.5
121.02897	4.4
121.06530	1.9
123.04452	6.9
127.03955	4.6
131.04887	1.1
133.06502	5.7
133.10207	0.9
135.04416	2.1
137.05986	1.7
138.32707	0.9
139.03905	30.4
145.06494	10.0
145.10146	2.0
147.04413	42.7
149.02348	6.0
149.05986	7.7
151.03922	11.4
152.87025	1.0
153.07062	1.3
157.06509	3.1
159.07991	1.2
161.06003	5.3
163.03906	4.7
163.11259	1.5
165.05499	1.3
167.03426	15.2
171.04376	8.2
171.08116	1.7
173.05933	1.0
175.03908	3.2
177.05446	2.3
179.03426	9.9
181.06508	2.3
185.05984	4.7
187.03920	1.3
187.07564	1.9
189.05502	7.6
191.03380	10.8
191.07031	1.8
191.10602	0.9
193.04968	3.7
197.06178	1.1
199.07518	2.2
201.05458	3.0
202.94554	0.9
203.03397	8.9
205.04811	1.0
213.05457	3.8
215.07047	2.2
215.10638	1.0
217.04893	1.6
227.07019	4.1
229.04973	3.7
231.06526	17.3
233.04475	5.5
239.06996	2.8
243.06522	9.0
245.04457	6.2
245.08107	4.7
251.05511	1.4
255.06549	13.1
257.04462	9.3
257.08142	2.6
259.06161	1.5
267.06573	5.8
269.04471	2.8
271.06033	1.5
273.04691	1.9
273.07587	28.3
273.10513	1.5
274.07956	0.9
275.05545	14.7
275.09140	19.2
285.07617	14.7
287.05554	25.3
287.08826	2.7
287.58960	1.0
299.05591	4.6
379.11765	4.7
393.09668	26.0
405.09561	3.0
411.10733	7.5
423.10684	2.0
447.43979	1.0
547.17908	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	546.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01865	5.1
55.05508	16.0
57.03436	9.2
61.02922	6.7
67.05519	17.8
69.03430	7.6
69.07087	14.8
69.79848	12.2
71.04971	4.0
72.72346	2.2
73.83588	2.2
79.05506	15.9
81.03408	15.1
81.07067	26.3
82.03745	3.6
82.75536	2.4
83.04958	6.3
83.08608	10.5
85.02902	9.7
91.03930	4.2
91.05489	17.2
93.07047	19.3
95.04970	10.8
95.08624	14.3
96.08118	2.5
97.02892	7.5
97.06526	6.5
97.10178	9.3
98.21431	5.1
105.07032	17.7
107.04964	10.4
107.08595	14.6
107.17104	2.5
109.02882	2.7
109.06528	9.3
109.10152	8.8
111.08064	3.6
117.07043	7.2
119.08612	12.5
121.06509	9.1
121.10161	11.4
123.08068	7.8
123.11710	2.6
125.09602	5.2
127.03937	5.1
129.06906	3.3
131.04921	3.1
131.08548	12.4
133.06516	4.7
133.10133	11.5
135.08047	5.8
135.68359	3.2
137.05948	16.6
145.10138	9.6
147.04422	3.2
147.08052	4.4
147.11682	8.4
147.89085	2.5
149.09631	4.3
151.11224	3.7
159.11728	6.8
161.06018	5.4
163.07549	7.5
163.11189	5.7
167.07039	4.8
173.13297	3.9
175.11171	5.3
179.14279	4.6
193.12233	9.7
211.13344	4.4
212.13681	5.4
213.56337	2.7
215.10725	3.6
223.13144	3.0
224.13609	3.1
225.85332	2.3
227.12848	4.2
247.20432	2.8
257.19098	6.9
268.15994	3.5
273.18478	3.2
274.18857	4.2
275.20059	42.2
285.17010	6.9
286.17291	11.8
291.19458	12.5
292.12601	3.5
292.19986	17.0
293.21017	5.1
311.12704	3.7
321.08118	2.5
331.26331	3.6
349.23755	100.0
365.23282	8.5
366.23508	19.7
367.24924	26.7
384.24655	2.6
405.30069	15.5
528.28735	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	546.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.05512	3.9
57.03431	2.9
57.07070	1.2
61.02919	2.0
67.05174	0.7
67.05511	8.7
69.03429	0.8
69.07079	5.9
69.44361	6.9
71.04967	0.8
79.05492	5.6
81.03408	1.5
81.07056	9.6
83.04974	2.9
83.08610	1.8
85.02892	2.2
85.78693	0.7
91.03947	1.4
91.05470	6.8
93.07047	10.0
95.04967	3.5
95.08604	8.3
97.02912	1.3
97.06522	2.7
97.10155	0.7
103.05501	1.1
105.07041	9.5
107.04963	3.7
107.08601	6.4
109.06531	3.9
109.10144	3.8
111.08072	1.1
117.06995	3.4
119.08596	7.4
121.06516	5.2
121.10191	4.3
123.08060	1.9
129.06995	1.4
131.08601	5.3
133.06471	1.2
133.10146	6.9
135.08060	2.5
135.11684	2.2
137.05965	3.4
137.09612	1.0
141.07022	0.9
143.08586	1.3
145.06502	1.0
145.10129	5.2
147.08046	1.4
147.11655	5.0
149.09616	2.7
149.13283	0.9
151.11125	1.8
155.08611	1.0
157.10106	1.1
159.08018	1.5
159.11671	4.1
161.09659	1.7
161.13220	1.6
163.07507	1.3
163.11172	3.4
163.14764	0.7
171.11766	1.8
173.09593	1.8
173.13290	2.6
175.11160	1.4
175.14870	1.0
177.12732	1.9
179.14304	1.0
184.07260	1.1
187.11253	1.3
187.14702	0.8
191.14365	1.9
197.13252	1.0
201.12743	1.3
207.13820	1.6
219.13748	1.1
247.20708	1.9
257.19055	5.1
275.20087	24.2
293.21057	3.3
349.23737	100.0
350.24075	1.3
367.25076	4.2
405.30319	1.3
415.16541	0.8
495.81519	1.0
511.28763	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39686	2.6
55.01891	3.0
55.05513	4.7
57.03453	2.8
67.05508	11.9
69.07055	9.4
69.24512	13.8
69.24939	12.5
71.05003	2.8
79.05479	8.2
81.03405	2.9
81.07064	14.4
83.05019	3.2
83.08621	3.8
91.05473	8.0
93.07039	8.9
95.04953	3.7
95.08601	9.5
98.21505	5.3
98.98457	3.8
105.07019	8.6
107.08581	6.9
109.06502	5.9
109.10184	6.2
110.00694	2.6
111.08112	2.3
116.74577	2.4
119.08598	10.7
119.89217	2.9
121.10152	3.9
121.63447	2.8
123.08057	11.4
124.08817	2.7
131.08575	4.8
133.10106	7.4
135.08044	4.6
137.06021	2.8
145.10092	4.3
147.11688	5.4
149.13202	2.6
161.13254	2.9
175.14838	7.6
177.12819	4.9
179.14333	18.7
198.88571	2.8
205.16032	3.5
216.06230	3.7
275.20142	3.6
289.21616	6.7
293.21027	3.9
301.13617	2.6
331.26291	15.4
349.27472	8.3
374.30289	3.2
387.28900	7.3
392.32361	3.0
405.30045	100.0
503.27490	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	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.0
56.08110	2.2
57.03453	3.4
58.18997	2.4
62.06094	14.1
67.05499	15.2
69.03442	2.4
69.07077	11.7
71.02831	2.4
71.08632	6.9
71.59939	3.6
76.63992	2.6
79.05496	9.5
79.50542	2.2
80.68724	2.4
81.07057	23.7
83.04959	2.3
83.08619	8.2
86.09701	3.1
91.05473	10.3
91.60458	2.4
93.07047	16.7
93.92878	2.0
95.05005	3.2
95.08603	16.0
97.06543	2.9
97.10142	2.4
98.98474	28.2
99.08050	2.2
105.07039	12.8
107.04935	2.8
107.08602	10.6
109.06519	10.0
109.10169	10.1
111.08101	2.4
117.07062	2.3
119.08585	17.9
121.10146	8.1
123.08089	22.5
131.08595	6.1
133.10147	13.0
135.08070	8.2
135.11708	6.4
137.06012	4.1
137.09627	2.8
142.02586	2.7
145.10130	6.9
147.11685	8.0
149.09651	6.2
149.13260	5.8
155.01108	3.0
158.56670	2.2
159.11719	7.3
161.09602	3.0
161.13219	3.4
173.02144	7.4
175.14847	10.3
177.12779	4.6
179.14302	38.3
187.14830	2.4
191.14320	2.8
198.05415	2.3
205.15904	7.5
216.06277	3.6
238.05226	2.2
263.20084	3.6
275.19934	3.2
289.21683	4.7
293.21118	3.6
303.26837	4.0
319.22635	4.6
331.22424	2.7
331.26297	47.0
349.27383	9.6
374.30859	5.0
387.28906	8.0
405.30023	100.0
485.26688	55.1
503.27676	95.6
506.49875	2.4
528.30664	15.4
528.37299	3.7
546.31683	29.9
546.38751	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.4
55.05516	19.0
57.03435	9.4
64.96433	2.0
67.05502	46.8
69.03425	3.0
69.07075	18.4
71.58700	4.1
79.05492	41.3
81.03417	15.9
81.07057	50.2
83.04995	4.6
83.08640	10.4
85.06537	3.6
91.05476	30.4
93.07047	43.6
95.04981	11.3
95.08604	29.4
97.06504	3.7
97.10161	11.9
99.08107	2.2
100.57109	2.3
105.07040	31.2
107.04972	4.2
107.08589	27.4
109.06527	6.9
109.10159	17.4
109.81522	2.1
111.08098	3.1
117.07037	11.9
119.08583	25.0
121.06515	3.8
121.10131	21.0
123.08056	2.4
123.11726	6.1
125.09657	7.2
129.07053	9.2
130.25076	2.0
131.08575	22.1
133.10126	18.7
135.08080	5.1
135.11713	9.6
137.13216	2.5
141.07030	3.2
143.08624	6.5
145.10153	17.1
147.08029	3.6
147.11690	15.7
149.09628	5.2
149.13301	5.9
151.11281	4.0
153.12737	2.1
155.08571	3.7
157.10193	9.9
159.11699	13.9
161.13261	5.2
169.10196	6.5
171.10297	3.0
171.11742	8.8
173.13351	8.7
175.09509	1.9
175.11145	3.9
183.11646	3.1
185.13264	4.6
189.11232	4.1
193.12318	5.4
199.14888	2.7
201.16475	2.5
227.12807	6.1
233.15445	2.8
241.19591	2.4
259.20676	4.6
261.22165	5.1
267.15817	12.0
269.17557	3.1
285.22266	2.9
287.20206	3.9
291.19675	3.0
294.36179	2.2
301.25394	6.0
317.24838	2.8
327.23724	3.3
333.24091	3.4
335.25864	7.3
359.26062	2.5
435.32919	9.5
453.33929	8.7
471.34839	8.0
509.36243	4.0
517.39136	3.5
527.37384	51.8
545.38403	100.0
545.46814	4.8
557.12067	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25633	1.0
52.40252	1.1
53.03938	2.0
54.09249	1.0
55.01870	2.3
55.05259	1.4
55.05512	20.5
57.03435	5.7
57.07076	2.0
59.00473	1.1
62.95259	0.9
65.03931	3.0
67.05503	47.7
67.65593	0.9
69.03416	2.2
69.07072	11.4
71.05019	2.2
71.08618	1.1
79.05491	31.0
79.05965	1.5
80.05811	2.4
81.03419	14.6
81.06577	2.2
81.07058	44.2
83.04977	4.4
83.08614	14.2
85.02898	1.2
85.06538	2.0
91.05481	22.4
92.05776	1.2
93.07042	39.2
93.07630	2.2
94.07399	2.0
94.88606	1.1
95.04978	13.6
95.08607	33.2
96.08929	1.7
97.02901	2.3
97.06533	5.5
97.10165	11.2
98.20763	2.2
105.07028	19.6
107.04958	7.1
107.08601	20.6
108.08950	2.1
109.06527	3.5
109.10156	18.5
111.08092	3.5
117.07014	11.3
119.08588	18.2
120.09011	1.3
121.06528	4.5
121.10136	16.7
122.10473	1.7
123.08098	4.5
123.11687	6.0
125.09641	9.3
129.07013	6.2
130.07808	1.4
131.08572	12.5
133.06546	2.4
133.10120	11.8
135.08060	4.4
135.11699	18.6
136.12054	3.3
137.09633	2.6
139.11150	1.6
142.07805	1.1
143.08548	3.7
145.06470	1.6
145.10120	15.8
146.10460	1.4
147.08064	2.6
147.11693	8.5
149.09660	2.9
149.13286	4.2
152.76653	1.0
155.08562	3.2
157.10144	7.8
159.11671	7.2
161.09619	1.5
161.13243	4.8
163.11192	13.6
163.14827	1.9
164.11552	3.9
169.10097	1.2
171.11711	2.7
173.09674	2.1
173.13287	4.7
175.11237	2.5
175.14816	1.8
177.12848	1.2
177.16408	1.3
181.10135	0.9
181.12270	3.5
183.11671	2.4
184.07260	1.4
185.13277	2.9
187.14864	2.8
189.11284	5.1
189.12750	1.1
193.12189	7.1
197.13213	1.3
199.14836	2.0
211.13243	3.3
215.18239	1.4
227.12793	36.1
228.13156	7.3
229.13441	3.5
233.15402	2.0
243.15906	1.4
243.21004	1.3
261.22180	5.4
267.15884	14.7
279.23172	1.9
285.22189	2.2
297.25433	1.4
299.23624	1.3
301.25192	11.6
303.23279	1.5
317.24734	2.7
335.25754	9.1
359.25751	1.6
421.25732	1.7
435.27435	1.3
435.32861	5.1
453.33539	9.2
471.34689	6.3
527.37341	36.0
527.45435	1.9
528.37762	1.9
545.38269	100.0
546.39014	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
53.10699	0.9
55.01860	3.9
55.05513	23.3
57.03436	7.5
57.07070	3.2
59.05003	1.1
60.72403	1.0
65.03945	1.7
66.55444	1.0
67.05506	47.5
67.37550	0.9
69.03431	3.8
69.07067	14.7
71.04990	3.0
79.05497	32.4
81.03422	19.8
81.07059	49.0
83.04983	4.6
83.08622	16.5
85.02916	1.3
85.06568	1.9
91.04907	1.1
91.05479	25.9
93.07042	29.4
95.04975	15.3
95.08610	34.4
97.06541	3.6
97.10175	16.4
99.08121	2.3
105.07037	25.8
107.04965	5.7
107.08595	21.3
107.09293	1.6
109.06522	5.2
109.10162	19.6
111.08080	4.2
113.19547	1.0
115.05437	1.7
117.07024	14.5
119.08586	19.7
121.06484	6.6
121.10143	13.0
123.08085	4.1
123.11691	6.4
125.09621	9.4
128.06244	1.8
129.07010	6.8
130.47592	0.9
131.08571	20.0
133.06506	2.0
133.10138	16.2
135.08049	4.7
135.11705	8.5
137.09618	3.1
137.13260	1.5
141.07042	1.5
142.07756	1.5
143.08588	5.8
145.06496	1.4
145.10130	14.0
147.08041	2.3
147.11693	10.5
149.09648	4.3
149.13252	5.6
153.09087	1.0
155.08586	3.2
157.10118	8.2
159.08061	2.1
159.11716	11.1
161.09627	2.3
161.13277	6.9
163.11227	2.8
163.14851	2.8
169.10168	4.0
171.11723	5.6
173.09683	2.2
173.13229	8.7
175.11214	2.6
175.14763	4.7
177.12772	2.1
177.16376	1.4
177.38480	1.0
181.10225	1.3
183.11752	3.3
184.07416	1.4
185.13239	5.2
187.11198	1.5
187.13368	1.8
187.14850	5.0
189.11237	7.4
189.16411	1.4
193.12201	7.9
195.11769	1.8
197.13306	2.9
199.14883	4.1
201.16457	2.3
203.14238	1.1
207.13884	1.1
209.13234	1.5
211.13208	1.2
213.16496	1.2
219.17427	1.7
225.16418	1.7
227.12727	11.6
229.64339	1.0
231.11623	1.1
233.15367	2.0
243.21156	1.6
247.16937	1.4
249.14882	1.5
259.20679	1.9
261.19553	1.4
261.22113	9.9
267.15900	21.7
273.22098	1.7
274.64761	1.2
279.23239	1.9
285.22156	2.9
287.20193	2.6
291.23495	1.0
293.21136	1.4
299.23779	2.1
301.21942	1.4
301.25198	15.7
303.19949	1.2
303.23233	1.9
317.24741	2.6
335.25848	15.8
345.23804	1.1
359.25858	1.9
403.24780	1.8
417.31540	1.8
421.25934	3.2
435.27277	2.7
435.32684	5.6
453.33594	12.6
471.34854	9.2
473.33627	1.2
479.13068	1.0
489.36417	1.7
509.36298	3.0
517.38428	1.4
527.37341	55.1
528.37665	1.9
530.40271	1.2
545.38373	100.0
546.38983	3.3
561.20660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39551	1.2
52.62224	1.2
53.03949	3.2
55.01867	3.8
55.05511	29.6
57.03436	7.8
57.07072	2.2
59.04992	2.0
65.03934	2.4
67.05507	56.1
69.03423	2.6
69.07070	13.4
70.20053	1.2
70.20341	6.4
71.04975	1.9
79.05492	33.9
81.03421	26.6
81.06579	2.9
81.07058	51.8
83.04972	6.1
83.08617	21.6
85.06555	2.8
91.05478	29.6
91.06015	2.4
93.07043	34.3
95.04965	22.3
95.08608	36.1
97.06544	4.6
97.10166	16.4
99.08083	2.1
105.07030	30.9
107.04973	8.2
107.08595	25.1
109.06513	5.0
109.10169	20.3
111.08087	2.8
115.05463	1.3
117.07019	11.2
119.08585	23.5
119.62682	1.3
121.06538	6.3
121.10137	18.9
123.08067	5.4
123.11706	6.8
125.09640	13.4
129.06979	7.7
131.08565	22.0
133.06453	2.4
133.10143	15.5
135.08072	4.9
135.11690	10.7
137.09616	2.8
137.13287	1.9
141.06982	2.1
142.07695	1.6
143.08571	8.2
145.06424	2.5
145.10114	14.4
147.08084	3.2
147.11685	12.0
149.09592	4.2
149.13260	5.2
151.11197	2.1
153.09154	1.6
155.08609	3.2
157.10156	8.7
159.08057	2.7
159.11697	10.8
161.09616	1.9
161.13261	5.1
163.11238	3.2
163.14842	2.4
169.10083	2.0
171.11716	5.9
173.09677	1.8
173.11957	1.8
173.13216	8.3
175.11244	3.3
175.14859	3.4
177.12758	1.4
181.10158	1.6
183.11673	1.8
185.13307	5.0
187.13326	1.4
187.14893	3.7
189.11209	9.6
193.12274	7.1
197.13336	3.2
199.14809	3.1
211.14810	1.9
227.12756	13.3
233.15456	2.4
243.20982	1.9
247.16966	3.0
261.19543	1.8
261.22070	10.0
267.15933	23.6
279.23175	2.9
283.24219	1.6
285.22272	2.8
287.20175	2.9
299.23709	1.6
301.21960	1.4
301.25211	17.1
303.23276	2.1
317.24808	2.3
335.25861	14.5
341.24750	1.4
343.22800	1.8
359.25934	2.6
379.72260	1.4
381.74591	1.3
414.87735	1.3
419.27988	1.4
421.25690	3.7
435.27216	2.7
435.32693	7.8
444.38708	1.4
453.33688	12.8
455.35175	1.4
471.35132	8.0
509.36829	2.7
527.37347	58.4
528.37366	1.9
545.38373	100.0
546.38751	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01867	4.2
55.05264	1.6
55.05511	22.6
57.03441	7.7
57.07062	2.6
57.38059	1.0
59.05000	1.7
61.02914	1.1
65.03938	1.9
67.05503	44.5
69.03431	3.8
69.07070	12.6
69.43070	1.4
70.63650	3.7
71.04984	3.1
71.08635	1.3
79.05490	32.0
81.03424	16.5
81.07054	43.7
83.04974	4.7
83.08617	15.9
85.06563	1.9
91.05478	23.3
93.07035	28.2
95.04958	16.7
95.08602	30.9
97.06547	4.8
97.10176	14.4
105.07032	22.8
107.04964	7.1
107.08595	22.3
109.06542	5.5
109.10160	18.4
111.08086	3.3
115.05420	1.6
117.07003	9.8
119.08578	20.0
121.06509	4.4
121.10141	14.8
123.08089	4.6
123.11674	6.8
125.09623	10.8
129.06995	7.9
130.78824	1.2
131.04985	1.1
131.08574	18.9
133.06477	2.1
133.10124	13.6
135.08054	4.7
135.11694	10.8
135.51759	1.2
136.12018	1.1
137.09619	3.9
137.13284	1.6
141.07010	1.8
143.08565	7.7
145.06476	2.1
145.10123	13.8
147.08037	1.7
147.11667	10.1
149.09598	1.8
149.13298	4.8
151.11090	1.5
153.09117	1.7
155.08583	3.9
157.10120	9.9
159.08009	1.9
159.11681	9.3
161.09656	2.6
161.13261	4.9
163.11211	3.3
163.14851	2.2
169.10173	3.5
171.08087	1.1
171.11673	6.8
173.13231	8.4
174.72214	1.1
175.11224	3.6
175.14775	2.4
178.26538	1.2
183.11734	3.7
185.13277	2.3
187.11372	1.4
187.13295	1.2
187.14850	3.9
189.11237	7.2
193.12286	6.3
194.26003	1.3
197.13292	3.2
199.14833	1.6
201.12807	1.5
201.16354	1.6
211.13205	1.5
225.16449	1.5
227.12775	9.2
233.15414	1.9
235.16998	1.1
243.21149	3.4
247.16963	2.1
261.22165	6.6
267.15915	15.6
279.23264	1.8
285.22089	1.3
286.65286	1.4
287.19986	1.5
287.23541	1.6
299.23666	2.2
301.25269	11.3
303.23007	1.5
317.24829	3.3
328.55911	1.2
329.21390	1.2
335.25748	11.9
357.27997	1.4
359.25824	3.3
366.40268	1.2
421.25949	3.3
435.27420	2.5
435.32684	5.8
453.33731	11.7
471.34741	6.8
475.29922	1.7
513.12616	1.4
514.38068	1.2
527.37329	44.2
528.37408	2.3
545.13885	4.6
545.38348	100.0
546.38953	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.87678	1.1
55.01872	2.7
55.05257	1.5
55.05507	14.7
57.03432	3.1
57.07069	2.7
58.88506	1.4
62.64087	1.2
65.03931	1.9
66.84844	1.1
67.05502	54.3
69.07076	12.2
70.40784	1.2
70.47399	1.2
71.04966	1.8
71.08656	1.5
73.02894	1.3
79.05489	34.9
81.03413	3.0
81.07057	52.1
83.04978	5.6
83.08617	10.2
85.06524	1.5
86.42854	1.3
88.29675	1.6
91.05481	23.7
93.07045	49.7
95.04975	10.1
95.08604	57.1
97.02877	3.2
97.06541	4.8
97.10163	5.3
99.04456	4.6
99.08056	2.0
105.07024	15.2
107.04966	7.1
107.08597	26.9
109.06528	3.3
109.10150	14.6
111.04466	1.2
117.07011	9.8
119.08584	15.5
121.06501	6.1
121.10149	14.8
123.11709	4.6
125.06002	3.3
125.09670	1.4
129.07079	3.1
130.07814	1.9
131.08585	4.4
133.10126	10.2
135.08128	1.9
135.11690	39.4
143.08569	1.6
145.10126	24.9
145.28705	1.3
147.11719	4.7
149.13271	2.0
157.10107	2.7
159.11682	3.3
161.13228	2.5
163.11182	48.1
163.14833	1.9
167.08620	1.5
175.14804	2.8
181.12248	11.0
189.16455	1.5
209.11699	1.2
227.12781	100.0
245.22765	1.4
259.01746	1.2
261.22049	1.3
263.23746	3.0
267.15921	4.6
277.56876	1.3
283.15335	1.4
296.16190	1.4
335.25745	4.0
435.32581	1.6
453.33694	1.8
527.37354	13.3
545.38385	99.2
546.38776	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.0
55.05517	19.5
57.03429	4.9
57.07070	4.6
67.05504	48.7
69.03416	3.5
69.07069	14.6
69.26997	26.4
71.04989	4.8
79.05495	40.2
81.03415	17.1
81.07060	53.2
83.04978	8.0
83.08630	11.9
85.02910	8.8
85.23063	2.4
91.05479	39.8
93.07044	37.0
95.04968	20.0
95.08619	39.5
97.06513	6.1
97.10194	6.6
98.20762	4.5
101.28595	2.5
101.51862	2.6
104.10751	9.6
104.68385	2.5
105.07047	27.3
107.04942	4.4
107.08585	21.7
107.86906	2.8
109.06523	5.1
109.10168	13.6
111.08086	6.0
117.07017	11.8
119.08576	27.3
121.10141	18.9
123.11756	6.2
125.09647	6.4
129.07040	6.0
131.08563	18.8
133.10130	15.0
135.07993	3.3
135.11728	10.7
143.08562	3.6
145.10120	7.6
147.08156	3.7
147.11720	13.0
149.13318	3.4
157.10194	10.1
159.11696	8.4
161.13194	5.5
163.11244	6.3
165.12704	3.8
169.10184	3.5
171.11736	3.6
173.13316	4.1
175.11211	5.3
177.54234	3.0
185.13271	4.4
193.12270	14.6
211.13249	20.8
227.12805	4.6
261.22220	4.9
267.16037	7.1
277.21677	3.0
301.25256	3.7
335.25674	5.5
380.36380	3.0
403.76941	2.7
435.32684	4.6
453.33728	3.7
471.34698	4.8
487.28296	3.7
527.37097	21.8
545.38306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.9
53.03942	4.0
55.01869	4.6
55.05513	25.7
57.03440	8.2
57.07063	3.0
65.03943	2.4
67.05505	49.6
69.03428	4.0
69.07078	13.0
70.20766	0.8
70.83847	2.6
71.04980	2.9
77.53555	0.9
79.05499	31.0
81.03416	21.2
81.07058	50.3
83.04975	4.2
83.08623	14.7
83.28685	0.9
85.06567	2.5
91.04907	0.9
91.05479	25.5
93.07046	35.4
95.04972	16.4
95.08604	36.9
97.02888	1.5
97.06509	4.4
97.10173	18.8
99.08091	1.2
105.04539	1.0
105.07033	22.5
107.04940	5.8
107.07866	1.4
107.08591	25.1
107.09291	1.6
109.06521	5.7
109.10161	21.2
111.08084	2.8
117.07024	11.7
119.08583	21.7
121.06476	5.9
121.10142	16.5
123.08091	3.2
123.11700	7.3
125.09621	11.0
128.06248	1.3
129.07018	8.9
131.08578	18.3
132.30800	0.9
133.06482	2.0
133.10138	14.2
135.08067	5.3
135.11693	14.1
137.09636	2.9
141.06964	2.1
143.08565	4.6
145.06531	1.9
145.10141	16.2
147.08061	3.1
147.11673	11.8
149.09642	4.1
149.13280	6.1
151.11096	1.1
153.09171	1.6
155.08589	2.2
157.10141	7.7
159.08144	1.1
159.11702	10.3
161.09634	1.1
161.13235	7.4
163.11154	7.5
163.14783	2.2
165.12770	1.1
167.08588	1.1
169.10164	3.7
171.10368	1.4
171.11676	4.6
173.09662	1.6
173.11864	1.8
173.13231	7.8
175.11171	4.7
175.14827	4.1
177.12843	1.3
181.10124	1.3
181.12283	1.4
183.11696	2.2
185.13284	3.9
187.11311	1.3
187.13362	1.8
187.14726	4.4
189.09125	0.9
189.11227	7.1
189.16348	1.5
191.14272	1.6
193.12280	6.9
197.13374	1.6
199.14836	2.7
201.16452	1.3
211.13139	1.2
211.14964	1.4
213.16479	1.5
215.14220	1.1
225.16422	1.2
227.12778	20.8
233.15376	1.6
243.21115	1.9
247.16902	1.5
261.22165	10.7
267.15912	21.6
273.18790	1.0
273.22067	1.0
279.19705	1.5
279.23209	2.3
285.22131	2.2
287.20166	1.7
299.23764	1.7
301.25259	14.9
303.23163	2.1
317.24637	1.8
323.22794	1.0
329.21127	2.0
329.24603	1.3
335.25809	16.3
343.23038	1.3
357.28046	1.2
359.25836	2.4
403.24847	1.4
417.26581	1.5
417.31641	1.1
421.26013	3.5
435.27463	2.7
435.32608	5.3
453.33740	10.3
471.34833	7.8
509.35638	1.2
527.37341	51.9
528.37799	2.2
545.38397	100.0
546.38550	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	545.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.9
55.01875	22.5
55.05518	25.8
57.03442	30.5
61.02922	24.6
65.03928	4.7
66.49223	4.1
67.05506	70.0
69.03432	31.9
69.07069	63.6
69.69518	27.3
71.04995	33.9
73.02927	21.2
79.05496	77.3
79.33449	3.6
81.03419	33.9
81.07056	100.0
83.04980	29.9
83.08606	11.3
84.04503	8.6
85.02898	44.9
85.06537	11.3
91.03954	9.7
91.05488	43.9
93.07047	59.2
95.04964	32.2
95.08612	36.8
97.02914	22.8
97.06537	57.5
97.10168	4.3
99.04440	10.7
99.08119	22.3
100.11270	8.1
101.02389	7.3
103.03981	7.1
105.07027	32.1
107.04963	61.9
107.08595	40.4
109.02892	10.4
109.06535	31.4
109.10146	18.7
111.04457	26.6
111.08076	14.5
113.06024	6.1
115.07571	50.1
117.07031	25.9
119.08594	32.3
121.06507	18.2
121.10146	49.1
122.06026	8.3
123.04434	4.6
123.08072	8.1
124.03951	7.3
125.09615	12.7
127.03925	21.6
127.07540	5.7
129.07002	11.1
131.04968	5.8
131.08539	26.9
133.06491	8.1
133.10112	22.6
135.08032	15.0
135.11703	48.4
137.05974	14.5
137.09641	6.7
137.46417	4.2
140.71999	4.0
143.08516	9.8
144.09454	4.2
145.04910	5.7
145.06487	5.8
145.10124	53.8
147.04404	6.6
147.08058	12.4
147.11679	9.9
149.09616	17.2
149.13274	10.9
151.11142	5.1
153.12729	11.9
155.08577	15.1
157.10211	10.0
159.11707	9.2
161.09573	11.0
163.11192	60.9
171.11734	9.0
173.09604	30.1
173.13257	5.0
175.11140	6.0
177.05421	5.7
177.12714	7.9
181.12213	16.6
183.11673	5.6
187.11183	4.5
189.12711	6.1
191.10693	25.3
209.11769	13.9
217.15926	8.5
221.15343	5.7
227.12755	31.1
233.11769	4.7
234.12024	9.0
255.17352	8.6
265.14374	95.3
269.17651	9.8
273.18488	45.0
283.15375	54.6
291.19690	26.0
301.16449	49.4
307.18875	6.1
323.09158	4.5
347.22214	17.5
365.23239	69.8
377.46045	4.1
383.24359	32.2
411.75534	4.2
441.16104	4.7
455.24011	9.0
473.25272	18.8
491.26495	22.2
509.27417	19.8
527.28717	25.9
544.92102	6.4
545.11273	5.7
545.19183	6.7
545.33429	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	545.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01876	4.1
55.05513	4.7
57.03185	1.2
57.03438	16.1
57.07067	1.1
59.26394	0.8
61.02939	2.0
65.03931	2.0
67.05173	1.7
67.05505	24.8
67.05867	1.3
69.03427	2.4
69.07066	4.1
70.98994	2.7
71.04982	2.7
79.05125	1.0
79.05496	12.2
81.03399	2.4
81.07065	13.3
83.04988	2.1
83.08612	2.8
85.02888	3.9
85.03355	0.9
85.06544	18.4
91.03941	1.6
91.05479	16.0
93.07047	14.2
95.04356	1.8
95.04970	35.1
95.08600	7.8
97.02870	2.3
97.06519	4.5
99.08024	1.3
103.05500	1.0
105.07030	9.5
107.04990	4.1
107.08601	9.2
109.02878	1.4
109.06522	32.7
109.10173	2.8
113.06005	52.0
117.07054	5.6
119.08557	6.4
121.06499	2.6
121.10126	3.6
122.06056	1.1
123.08033	2.6
123.11684	1.1
125.09669	1.3
127.03894	1.7
128.06224	1.2
129.06973	3.5
131.08574	9.9
133.06517	1.8
133.10126	5.9
135.08057	26.4
135.11690	5.7
136.26833	0.8
137.05965	2.5
137.09650	1.1
141.07013	1.0
143.08551	3.5
145.06445	1.1
145.10100	5.5
147.08035	3.8
147.11658	2.7
149.09622	3.9
149.13210	1.4
157.10088	4.2
159.08092	1.9
159.11703	3.4
161.09653	5.1
161.13245	1.1
163.11179	2.8
167.74554	0.8
171.11682	2.9
173.13225	2.2
175.11241	2.2
177.05569	1.1
177.12726	2.1
181.10136	1.2
184.07349	0.9
185.13185	0.9
193.12177	1.0
195.11630	1.4
195.13753	0.9
199.14839	2.4
201.12724	2.4
217.15900	9.3
227.17894	1.0
233.15388	1.8
234.12233	1.1
255.17383	1.2
273.18509	18.5
291.19540	61.2
307.18997	2.4
330.17661	1.0
347.22223	6.8
353.13748	1.0
365.23230	100.0
366.23621	1.8
383.11316	5.9
465.42352	0.9
527.28394	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.296
Annotation	Pharboside C
Peak:m/z	Relative Intensity
53.03942	4.7
53.43332	3.0
55.01868	12.2
55.05509	26.4
57.03430	15.1
61.02917	12.6
65.46482	3.2
67.05515	33.6
69.03436	19.4
69.07070	26.8
70.60712	5.5
70.61109	6.9
71.04990	8.6
73.02930	4.8
79.05494	31.3
81.03423	45.9
81.07057	40.8
83.04981	13.5
83.08624	22.2
85.02914	25.3
85.06523	4.3
91.03961	9.2
91.05482	29.8
93.07052	34.3
95.04976	21.8
95.08636	18.7
97.02882	18.4
97.06518	7.2
97.10178	22.1
103.05451	4.0
105.07064	20.9
107.04950	10.1
107.08574	20.4
109.02892	8.2
109.06537	7.8
109.10148	13.6
111.04417	3.5
111.08076	8.3
117.07021	11.5
119.04910	3.8
119.08624	21.6
121.06516	8.0
121.10159	11.2
123.08070	14.3
123.11710	4.1
125.09632	19.0
127.03941	8.1
129.07022	7.4
131.04874	3.6
131.08565	18.0
133.06482	6.1
133.10136	16.5
135.08023	6.5
135.11720	3.4
137.05989	13.4
137.09581	4.2
143.08549	7.6
145.04877	3.7
145.10149	10.2
147.08046	13.7
147.11717	7.5
149.09569	3.7
157.10143	10.4
161.09596	4.3
163.11166	7.3
165.09100	5.5
171.11725	5.0
175.11212	11.8
177.12790	4.1
189.11221	13.5
193.12270	39.3
194.22275	4.0
211.13266	30.2
223.13278	16.4
227.12830	10.5
229.14452	4.0
251.40552	3.4
255.17441	4.0
267.15906	13.8
273.15912	3.5
273.18457	23.1
284.38678	3.7
285.17010	54.8
291.19537	87.4
309.20520	3.3
310.20880	3.8
347.22238	10.5
365.23239	100.0
383.24219	11.3
388.15594	4.1
429.21310	6.6
527.28198	9.9
545.29297	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	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.6
55.05508	13.1
57.03438	16.7
59.38622	3.2
61.02926	5.4
61.21391	2.9
67.05508	41.3
69.03432	4.9
69.07068	10.4
71.05007	5.7
71.55910	4.0
78.11525	2.8
78.34600	3.0
79.05490	33.6
81.03422	6.6
81.06588	3.7
81.07066	62.9
83.04977	7.3
83.08623	10.1
85.02897	9.0
85.06540	15.8
91.05474	20.1
93.07052	29.9
95.04964	36.4
95.08640	19.4
97.02879	5.2
97.06520	8.2
97.10192	4.7
105.07054	22.4
107.04982	9.7
107.08591	25.9
109.02919	4.0
109.06526	49.9
109.10159	17.8
111.04445	3.2
111.08086	4.6
113.06013	40.7
115.05487	3.9
117.07041	8.2
119.08592	17.7
121.06534	7.1
121.10146	13.3
122.05997	3.8
123.00821	3.0
123.08096	6.1
123.11716	4.3
125.09609	5.2
129.07028	4.0
131.08582	13.6
133.06522	4.9
133.10170	10.6
135.08055	28.8
135.11688	10.4
137.06004	7.5
137.09572	4.2
142.25929	3.4
143.08562	6.4
145.10155	12.5
147.04491	4.3
147.08054	9.4
147.11687	5.4
149.09639	7.2
149.13260	14.0
157.10149	5.0
159.11708	6.7
161.09644	8.7
161.13225	4.3
163.11232	8.2
163.14662	3.5
171.11690	4.1
173.13393	3.7
177.12764	3.4
181.12212	5.8
192.58826	3.1
199.14885	3.7
217.15924	5.9
229.14244	2.9
255.17546	4.7
260.84637	3.2
273.18500	29.9
277.25262	4.6
291.19571	100.0
305.24777	19.3
323.26102	4.7
347.22205	16.1
353.14407	3.4
365.23254	87.8
383.24335	3.4
545.30725	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.9
51.02357	0.8
53.03939	3.7
55.01868	2.9
55.05510	13.9
57.03409	2.5
57.07064	1.2
65.03928	3.0
67.05503	35.6
69.03412	1.6
69.06737	0.8
69.07069	11.2
69.23530	0.7
69.94529	1.4
69.94939	2.1
71.01318	0.6
71.04963	2.8
73.02903	1.7
79.05494	42.1
81.03424	2.9
81.07058	36.3
83.04970	3.9
83.08231	0.7
83.08614	7.6
85.06512	0.8
91.05479	21.3
93.07044	58.7
94.07409	0.6
95.04964	9.0
95.08609	42.9
97.02886	3.6
97.06527	4.3
97.10147	1.6
99.04423	2.7
103.05447	1.2
105.07021	15.6
107.04962	7.8
107.08595	35.5
109.06489	2.3
109.10158	7.5
111.04416	1.1
111.08076	1.4
115.05408	0.7
117.07012	11.9
119.08575	13.8
121.06525	5.4
121.10145	20.8
123.08018	0.9
123.11694	0.7
123.44432	0.6
125.05985	2.5
125.09576	0.9
128.06268	0.8
129.06996	1.7
130.07765	1.7
131.04866	0.6
131.08565	6.4
133.10150	6.9
135.08041	1.5
135.11694	42.7
139.07506	1.6
143.08536	1.7
145.10121	26.2
145.11284	1.0
147.11673	2.7
149.00949	0.6
149.13223	2.2
153.12773	1.1
155.08582	1.4
157.10130	1.5
159.11682	3.9
161.13242	1.6
163.11180	47.7
171.11702	0.6
173.09654	1.2
173.13284	2.4
179.14220	0.8
181.12233	11.0
183.11623	0.7
185.13260	0.8
187.14761	1.0
201.16553	0.8
203.14441	0.7
209.11674	1.0
227.12779	100.0
243.21133	1.9
261.22116	6.6
275.19958	0.9
283.15555	0.9
317.24872	2.0
335.15359	0.7
371.14377	0.7
451.31940	1.3
469.33148	1.1
490.62405	0.8
525.35614	3.0
543.36835	86.2
544.37128	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24475	0.5
56.75015	0.5
57.03448	0.6
62.37419	0.5
69.03436	1.2
69.96664	2.9
75.71109	0.5
81.00310	0.5
81.59492	0.6
85.02902	2.7
97.02888	0.8
98.20803	0.6
104.89617	0.5
112.86646	0.6
127.03924	1.3
145.05011	1.5
178.96393	0.6
248.15247	0.5
279.00159	1.1
363.06879	2.2
381.07983	11.1
499.15817	1.0
534.78046	0.6
543.13293	100.0
544.13391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42321	0.5
53.03923	2.7
55.01842	2.8
55.05509	14.3
57.03401	2.5
57.07045	2.0
65.03918	1.8
67.05500	34.7
69.03411	1.3
69.06736	0.6
69.07066	10.4
69.37354	5.9
71.04953	2.6
73.02902	0.8
74.09695	0.6
79.05487	37.0
81.03413	4.5
81.07053	32.8
83.04970	3.6
83.08611	9.0
85.02875	0.7
85.06500	1.1
91.05474	19.7
93.07039	47.4
95.04965	7.2
95.08602	37.5
97.02870	2.9
97.06516	3.4
97.10159	4.1
99.04422	2.5
103.05466	1.4
105.04476	0.9
105.07023	15.2
107.04958	5.9
107.08587	29.9
109.06551	3.3
109.10147	7.6
111.04416	1.0
111.08036	1.4
113.09622	0.8
115.05454	0.9
117.07014	10.8
119.07798	1.2
119.08579	13.8
121.06525	5.4
121.09315	1.2
121.10136	16.3
123.08055	0.9
123.11663	2.1
125.05952	1.9
125.09591	1.8
127.07549	0.6
128.06210	0.9
129.06963	2.9
130.07744	2.2
131.08557	8.9
133.10130	7.8
135.08003	1.7
135.11684	31.8
139.07458	0.9
142.07799	0.8
143.08551	2.4
145.10114	22.9
147.07971	0.8
147.11673	4.2
149.09630	1.5
149.13271	3.9
153.12691	0.7
155.08569	1.8
157.10086	2.9
159.07970	0.9
159.11687	5.4
161.13213	2.7
163.11172	40.3
169.10143	1.8
171.11650	2.5
173.09560	1.3
173.11887	0.7
173.13258	3.3
175.14842	1.0
177.12793	0.7
181.10101	1.1
181.12199	9.2
183.11664	1.1
185.13210	1.2
187.11107	0.6
187.14774	2.1
189.11206	0.7
195.11703	1.2
199.14783	1.1
201.16394	0.7
209.11716	2.1
211.14903	1.1
227.12767	80.2
243.21094	1.2
259.20770	0.9
261.22104	5.1
265.14310	0.7
275.20065	1.0
283.15170	1.1
298.38605	0.7
299.23816	1.8
301.22241	0.6
317.24814	2.1
433.31064	2.0
451.32117	4.1
469.33170	2.2
474.87164	0.6
525.35571	7.0
543.36786	100.0
544.37042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.6
57.03429	0.9
57.07078	35.8
59.04966	1.0
67.05502	5.3
69.07053	4.4
71.08633	22.6
73.06547	7.7
79.05492	6.1
81.03417	1.6
81.07055	5.6
83.08624	4.3
85.10186	20.9
87.04478	4.9
89.06035	100.0
91.05495	4.8
91.07609	1.2
93.07024	3.6
95.04965	1.6
95.08614	4.5
97.02880	1.0
97.10178	4.6
98.21622	1.9
99.11728	4.7
105.07026	3.8
105.50533	0.9
107.04955	1.6
107.07059	5.8
107.08586	3.2
109.06499	1.0
109.10139	2.5
113.13319	1.6
117.06998	2.5
117.09164	5.5
119.08591	3.6
121.10118	1.1
129.07004	1.9
130.08653	5.4
131.07042	1.9
131.08583	3.4
133.08611	54.1
133.10155	1.4
135.10178	1.7
135.11714	1.8
143.08600	1.4
145.10088	2.5
147.08064	0.9
147.11575	1.0
155.17921	5.3
159.11766	2.2
161.11778	1.3
171.11685	1.0
173.13243	0.9
177.11237	24.3
184.07410	0.8
185.13263	1.6
189.16464	0.8
195.11826	0.8
199.20578	4.1
206.96017	0.9
209.11592	1.0
221.13802	3.6
227.12720	1.1
239.14845	1.7
240.23221	2.0
243.23235	11.9
265.16534	1.4
283.17499	4.1
287.25742	7.4
327.20062	2.9
350.21469	0.9
371.22742	10.1
393.32104	1.3
420.42093	0.9
437.34579	1.5
451.32285	1.3
481.37442	1.8
525.40582	17.4
542.35193	6.6
542.42847	4.5
543.36816	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	539.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.8
55.05517	21.2
57.03438	9.1
57.07080	60.9
67.05507	43.7
69.03419	6.2
69.07070	25.5
69.49752	33.3
71.04977	4.0
71.08635	46.7
73.02955	4.1
79.05508	32.5
80.29388	3.3
81.03415	7.5
81.07062	54.7
83.04972	9.1
83.08620	18.4
85.02921	4.7
85.10195	24.4
89.06033	11.4
91.05475	17.8
93.07057	39.3
95.04967	12.3
95.08614	53.1
97.06516	6.9
97.10185	12.7
99.04459	4.4
105.07049	8.9
107.04951	12.5
107.08604	28.1
108.54102	3.6
109.02863	4.8
109.10135	18.9
111.04429	5.3
111.08163	4.6
117.07034	12.2
119.08579	11.1
121.06530	6.0
121.10130	17.6
123.11703	5.5
125.06072	6.3
125.13222	3.9
131.08568	4.7
133.08644	6.4
135.08110	6.5
135.11679	30.4
145.10107	24.1
149.09641	4.4
163.11179	42.7
181.12219	12.6
191.10722	4.6
201.24576	3.7
209.11728	13.9
219.31970	4.0
227.12770	83.3
239.23691	12.5
245.13857	5.5
283.15445	45.9
313.27380	89.2
372.94046	3.9
387.96942	4.1
496.59149	3.9
521.38403	67.8
539.30713	5.3
539.39386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
55.05515	17.7
57.03439	11.1
57.07080	40.0
61.07558	2.1
65.03938	2.0
67.05183	2.4
67.05511	30.6
69.03390	2.3
69.07079	17.0
71.08270	3.5
71.08633	28.4
71.50271	5.4
73.02901	2.7
73.85476	2.5
76.72057	2.2
79.05495	29.2
81.07061	34.8
83.04987	5.1
83.08622	19.6
85.10181	16.9
89.06030	2.8
91.05506	13.5
93.06478	2.8
93.07046	38.6
95.04971	6.9
95.08611	57.3
97.02907	2.2
97.06510	3.9
97.10158	8.7
99.04459	4.1
105.07024	10.5
107.04921	7.7
107.08593	25.3
108.33014	2.1
109.10162	13.3
111.04431	2.9
117.06992	8.0
119.08576	11.7
121.06527	5.2
121.10126	12.0
123.11704	2.8
125.05974	3.9
129.06989	3.4
129.88638	2.4
131.08546	2.8
133.10138	5.2
135.11710	42.9
143.08502	3.5
145.10129	33.6
147.08067	2.4
155.08565	3.8
156.46112	2.2
157.10161	2.4
161.13182	2.6
163.11200	59.1
169.10117	2.9
171.11662	2.4
174.35280	2.3
180.94582	2.0
181.10126	3.5
181.12273	10.9
183.11737	2.5
191.59856	2.0
195.11693	2.1
197.13260	2.6
223.14816	2.9
227.12785	97.8
239.23801	3.6
283.15414	58.9
313.27380	100.0
384.19360	2.5
385.63580	2.5
447.32602	5.8
521.38367	74.1
539.37842	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.05261	3.5
55.05499	19.1
57.03439	4.3
57.07063	4.2
61.02934	5.1
64.29342	2.7
65.03918	4.0
66.17461	2.7
67.05512	19.1
69.03429	24.0
69.07071	20.0
70.06603	3.9
71.04982	7.0
71.59024	4.4
73.02930	5.4
79.05482	15.0
81.03419	25.9
81.07063	50.5
83.04973	12.0
83.08614	6.3
85.02908	32.4
85.06552	6.5
86.09682	4.5
91.03939	6.2
91.05488	26.6
93.07054	26.9
94.06504	3.3
95.04964	10.4
95.08612	35.8
96.61719	2.8
97.02888	18.4
97.06536	10.5
97.10167	10.2
99.04456	8.3
103.03962	3.4
105.07038	25.6
107.04939	7.7
107.08597	25.1
109.02880	18.0
109.06502	6.8
109.10146	18.9
111.04401	6.9
111.08088	9.5
111.11712	4.3
116.09140	3.0
116.87867	2.9
117.07010	6.7
119.04944	22.1
119.08569	17.5
120.08138	5.8
121.06501	11.0
121.10125	21.6
122.06042	9.4
123.04517	3.9
123.11713	30.7
125.05914	3.8
125.09663	4.2
126.31973	3.4
127.03939	31.6
129.07057	3.4
131.08560	8.3
133.06479	8.7
133.10144	10.8
135.04446	3.5
135.11684	13.4
137.05986	13.0
137.09586	4.5
137.13240	12.5
138.53305	3.1
139.11172	7.9
143.08536	6.3
145.02815	6.9
145.04961	6.0
145.10109	15.4
147.04417	100.0
147.11708	5.4
149.09569	2.8
149.13271	23.0
151.03915	3.9
153.05351	3.7
157.10176	5.2
157.12256	8.6
159.11699	10.9
161.09682	4.7
163.04044	3.4
163.07523	4.2
163.11209	12.3
163.14807	4.9
169.10138	5.3
173.05981	4.1
173.09595	7.7
175.11151	4.2
177.05472	11.1
187.11182	14.5
187.13275	9.4
189.09091	3.9
189.12804	3.3
191.10724	6.1
191.14302	3.8
197.09544	3.8
203.10753	3.6
205.12231	4.3
215.10683	13.4
233.11761	9.4
263.55872	3.6
293.24771	8.6
305.24701	31.3
323.25769	20.3
347.09732	4.6
359.22079	3.5
359.27966	3.2
377.15765	9.5
440.25537	4.0
508.26804	3.9
530.78113	3.6
539.21960	12.3
539.69531	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	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.03445	1.3
57.07078	6.0
59.05010	1.7
67.05505	4.3
69.03429	2.0
69.07059	1.8
70.18392	4.4
71.08628	2.9
72.47235	0.9
73.02921	1.6
78.17159	1.0
79.05502	2.8
80.25270	1.2
81.03411	1.4
81.07071	5.0
83.04978	1.4
83.08633	2.2
85.02908	2.2
85.10183	2.4
91.05478	4.1
93.07045	2.0
95.08612	5.7
97.10172	2.0
102.39709	0.9
107.08579	1.6
109.02930	1.1
109.10149	1.2
111.04426	2.0
119.08566	1.9
121.10159	1.0
121.75291	0.9
127.03862	1.1
127.11597	1.0
129.07021	1.0
131.08612	1.4
145.10223	1.1
163.11217	0.9
172.29576	1.2
173.09579	0.9
191.00188	1.2
191.10774	1.3
209.11668	2.3
221.30220	1.0
239.23776	3.7
283.15454	2.8
296.73309	0.9
304.25336	0.9
313.27448	2.3
539.31989	100.0
539.39478	14.2
540.32642	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.05504	1.7
57.00820	1.1
61.02937	1.3
65.03909	1.7
67.05495	3.2
69.03412	2.3
69.07054	2.0
69.54285	9.8
73.02895	1.5
75.46057	1.2
76.18766	1.1
77.99155	1.1
79.05488	4.0
80.05016	1.6
81.03415	1.3
81.05814	1.0
81.07045	4.7
82.06528	1.2
83.04951	1.1
83.08603	1.8
85.02884	3.7
86.74603	1.2
89.03920	1.7
91.03944	2.0
91.05465	4.9
93.07050	9.8
94.06563	10.7
95.04944	2.7
95.07346	7.0
95.08591	2.4
96.04525	1.4
96.08134	19.6
97.02901	2.2
97.06524	3.4
99.21397	1.3
103.05466	3.0
105.07022	2.5
107.04908	1.9
107.08601	1.6
108.08128	13.2
109.08936	1.3
110.09682	37.9
112.44038	1.1
116.04966	4.6
118.06501	1.7
119.04936	1.6
119.08564	1.5
120.04444	5.6
120.08108	24.8
122.06065	7.2
122.09672	1.6
123.06808	1.7
124.07600	7.3
127.03921	2.7
134.05978	1.9
136.07584	8.1
137.05931	3.6
138.05478	5.5
138.09137	48.5
138.10217	2.3
144.04439	7.5
146.05992	5.3
147.04387	2.4
148.07591	9.8
150.05472	2.2
151.39929	1.4
152.07040	1.7
162.05470	4.5
165.09146	1.1
166.05013	6.4
166.08640	100.0
172.03928	40.6
172.05431	1.9
176.06989	1.2
178.04945	1.8
184.07210	1.3
184.09979	1.1
190.05006	18.2
190.06718	1.9
197.10680	1.8
204.06561	22.2
209.10797	3.3
212.09425	2.6
213.10318	1.7
216.06476	1.3
218.04396	1.5
222.07924	1.5
222.11411	1.8
223.08609	1.9
223.12192	1.3
224.09457	4.1
225.10272	3.5
227.11780	2.0
235.08784	2.1
236.09467	3.3
237.10185	16.0
238.10966	4.2
239.08218	3.3
239.11795	4.4
241.09695	4.8
247.14513	1.9
248.09425	1.5
249.10390	3.1
250.07304	2.6
250.11047	1.1
251.08157	2.8
251.11728	10.0
252.08876	2.5
252.12590	2.7
253.09705	8.3
253.13394	1.5
255.11157	1.8
263.11676	2.5
265.09726	24.7
266.10486	4.0
267.11276	5.2
269.12778	1.5
271.10815	2.7
273.12347	7.3
278.06622	8.5
279.11227	12.9
280.08441	2.8
281.09244	2.5
281.12775	4.6
283.10870	7.1
285.12515	1.8
289.09662	2.2
290.44519	1.1
292.08142	2.5
293.09177	24.0
294.09869	5.2
295.10672	1.7
296.11581	1.3
297.12302	6.9
299.10190	3.8
307.10666	4.8
309.12238	4.1
311.10309	4.8
312.11020	5.0
313.11752	7.5
322.62982	1.2
323.10178	2.8
325.11804	20.7
327.13361	1.4
331.69275	1.7
331.93900	1.3
335.10321	8.1
340.10577	3.5
341.11304	30.4
343.12830	4.1
353.11322	22.5
357.14423	3.5
373.13885	4.7
385.13867	5.7
457.19153	1.5
460.18524	6.9
462.20709	1.8
465.19012	9.8
478.20047	9.1
488.18149	13.2
506.19229	85.6
520.20538	2.6
522.28247	1.2
538.21570	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	537.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01872	0.7
55.05516	0.1
57.03424	0.4
61.02917	0.3
67.05493	0.3
68.99782	0.2
69.03078	0.2
69.03432	2.3
69.48982	0.8
71.04982	0.3
73.02913	0.4
79.05467	0.2
81.03419	2.7
81.07047	0.3
82.32248	0.1
83.31344	0.1
85.02907	2.9
86.10242	0.1
87.00837	1.4
91.03939	0.2
91.05472	0.1
93.07018	0.1
95.04948	0.2
95.08606	0.3
97.02908	1.1
97.06480	0.1
98.21535	0.2
98.67183	0.1
99.04453	0.7
105.01877	0.6
105.07015	0.2
107.04929	0.1
107.08591	0.1
109.02875	1.8
109.06536	0.1
109.10220	0.2
117.01836	0.3
119.08588	0.1
121.02836	0.4
121.10193	0.1
127.03922	2.6
129.01831	0.2
145.04950	0.9
147.02895	0.1
147.11804	0.1
159.02888	1.0
167.04910	0.2
177.04033	0.1
190.07811	0.3
191.08563	0.2
194.31218	0.1
203.08553	0.2
205.10233	0.6
205.11902	0.1
213.06903	0.2
214.07776	0.1
215.08562	2.4
218.07320	0.4
219.08076	0.2
226.07811	0.2
231.05070	0.3
231.07986	0.2
233.09618	7.0
235.07518	0.2
242.07242	0.7
243.05521	0.2
243.08052	3.7
247.07584	0.3
260.08359	0.2
261.09042	0.6
268.14304	0.1
271.07526	4.6
288.07846	0.1
289.08588	100.0
290.08945	1.0
321.05887	0.2
363.62509	0.1
395.65808	0.1
408.08951	0.2
537.13495	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	537.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.01866	0.3
55.05501	0.3
57.03434	0.3
61.02927	0.2
67.05486	0.4
69.03411	0.6
69.07059	0.2
73.02894	0.2
79.05492	0.4
81.03408	0.6
81.07059	0.4
85.02895	0.6
86.09716	0.2
91.85126	0.2
93.07041	0.4
94.86352	0.1
95.04938	0.2
95.08598	0.3
97.02882	0.6
98.20751	0.3
99.04449	0.3
101.02360	0.4
101.96815	0.1
105.07015	0.4
107.08610	0.2
109.02880	1.0
109.10123	0.3
111.04472	0.1
119.03416	1.5
119.08603	0.2
121.06513	0.2
122.06037	0.3
127.03925	1.0
131.03435	0.2
131.04895	0.2
131.25194	0.2
137.05959	0.6
145.04941	0.3
151.03877	0.2
173.04469	0.3
177.06955	0.3
184.07332	0.2
189.07013	0.4
190.07794	0.9
191.06891	0.3
191.08551	4.5
195.07820	0.2
199.14873	0.2
201.07022	0.4
202.07758	2.0
203.04892	0.2
203.08617	1.6
205.06413	0.8
218.07259	1.3
219.08051	4.5
223.07434	0.2
229.06128	0.3
229.07913	0.2
231.08046	14.7
232.08360	0.2
233.06007	0.9
237.09114	0.2
245.06177	0.6
246.06731	0.3
247.07547	13.7
249.05315	0.3
257.05930	1.6
260.04880	0.2
274.06140	0.3
275.07022	100.0
276.07397	1.1
299.06097	0.2
300.83624	0.2
509.28171	0.2
520.17987	0.2
534.26538	0.2
537.43243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70219	0.1
53.03955	0.6
55.01867	0.5
55.05515	0.2
55.87274	0.1
57.03423	0.3
61.02937	0.5
61.03186	0.1
67.05489	0.2
68.99770	0.2
69.03434	2.2
69.07050	0.2
71.04978	0.4
73.02908	0.5
79.05520	0.1
81.03421	2.7
81.07066	0.3
83.04955	0.1
83.08617	0.1
85.02905	3.3
87.00832	1.9
91.03948	0.3
91.05475	0.2
93.07041	0.2
95.04932	0.2
95.08584	0.2
97.02897	1.5
97.06491	0.2
99.04475	0.7
105.01871	0.8
105.07017	0.2
107.08604	0.2
107.47980	0.1
109.02882	1.9
109.10126	0.2
116.38260	0.1
117.01843	0.3
119.08598	0.2
121.02837	0.4
122.06023	0.1
127.03924	2.5
129.01820	0.3
130.56232	0.1
133.10112	0.2
135.11685	0.1
137.05951	0.3
145.04950	0.8
145.10023	0.1
147.02856	0.2
159.02914	1.1
167.04865	0.2
184.07401	0.2
189.06985	0.1
190.07829	0.2
191.08553	0.1
205.10118	0.9
211.79739	0.1
213.07213	0.2
214.07881	0.1
215.08543	2.2
218.07306	0.5
219.08063	0.3
226.07724	0.2
231.05037	0.3
231.08057	0.2
233.09618	6.2
235.07590	0.2
242.07204	0.9
243.08061	3.8
247.07489	0.3
260.08414	0.2
261.09119	0.8
270.06964	0.1
271.07529	4.6
285.28601	0.1
289.08582	100.0
290.08957	0.9
321.05856	0.2
346.50916	0.1
362.32550	0.1
537.25549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
56.05020	1.3
60.07880	0.8
60.08161	10.5
60.96081	0.4
67.05492	1.9
69.03413	0.6
69.07057	0.5
70.34235	0.9
70.34633	0.8
71.07372	4.0
79.05478	1.5
81.07047	2.7
85.02896	0.6
86.09704	35.1
87.10033	0.6
91.05413	0.6
91.05849	0.5
93.07045	1.1
95.04954	0.4
95.08595	1.3
96.87168	0.4
98.98457	2.8
104.10743	41.5
107.08665	0.5
109.10120	0.7
119.08592	0.6
121.10152	0.7
125.00002	23.2
136.62891	0.5
143.00926	0.5
161.04733	0.4
167.05531	0.6
184.07336	100.0
185.07706	1.4
186.07800	0.9
197.25038	0.4
247.08560	0.5
299.06198	2.2
307.17242	0.4
500.31201	3.8
518.32428	25.5
536.32251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.8
57.03392	0.5
60.04508	0.8
69.33552	0.3
70.02964	1.8
70.03266	0.4
70.45892	1.6
78.13033	0.3
80.05020	0.9
81.03365	0.6
82.05340	0.5
82.06548	1.1
83.06090	0.4
84.04504	26.8
85.02881	0.5
88.03989	15.1
90.72007	0.3
92.04939	0.4
93.07001	0.5
95.06105	0.5
98.06021	0.8
98.21417	0.4
102.05495	0.6
107.06046	1.2
108.04453	1.9
109.07622	1.3
109.76408	0.4
110.06042	3.7
116.03434	1.2
120.01166	0.6
121.10076	0.4
125.07124	5.3
126.05528	2.5
130.04042	0.7
130.04999	13.4
136.03954	0.7
153.06575	2.0
154.04990	6.8
155.08110	1.5
156.06497	1.2
169.06107	0.6
171.07635	12.4
171.09097	0.8
172.06053	0.7
199.07135	3.9
200.05478	1.9
202.07791	1.7
203.08575	0.9
205.10106	0.4
217.08182	12.4
231.08057	4.1
233.09560	0.8
236.48827	0.3
242.07268	3.3
243.07999	1.9
245.04138	0.6
247.07550	2.5
249.05307	0.8
255.08002	0.8
257.03760	0.7
257.06415	2.4
258.06799	7.8
259.07544	16.9
259.10330	0.9
260.08240	1.3
261.03796	0.6
261.09021	0.5
263.05228	12.5
264.05453	0.4
270.06741	5.5
271.07523	3.3
273.03680	3.7
273.08939	0.7
274.04489	1.4
275.05243	4.4
279.04749	0.4
283.07507	2.4
285.09320	0.4
286.06335	1.9
287.07080	2.9
289.08792	7.9
291.04733	55.2
292.05057	0.8
293.06320	1.2
301.03333	0.4
301.08578	5.2
303.04733	7.5
303.08240	0.5
303.76050	0.4
317.06320	2.2
318.05988	0.5
319.04224	20.2
321.05783	100.0
322.06287	2.0
331.04297	0.6
344.07355	3.7
345.05783	0.9
362.08527	2.5
390.07956	17.0
391.06320	2.8
408.08997	84.0
409.09601	1.9
474.09988	3.1
488.34348	0.3
519.12317	0.7
537.13373	6.7
537.22656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63556	0.7
57.03429	0.9
58.67004	0.8
61.02918	1.0
63.02372	0.8
67.64597	0.8
69.03423	3.3
71.56666	1.0
81.03426	1.7
85.02908	16.2
89.03918	3.7
97.02862	4.4
109.02860	0.8
109.73926	0.8
111.04485	1.0
117.03382	11.1
119.04967	1.2
127.03928	3.4
134.03636	1.8
135.04420	2.3
137.05960	0.9
144.98624	0.8
145.02850	39.2
145.04846	5.8
147.04402	3.6
149.05994	5.8
153.05533	1.3
161.13287	1.0
163.03929	3.3
163.05995	1.8
167.05682	1.2
177.05476	100.0
180.08655	1.6
186.05486	1.9
195.06537	68.7
213.08932	0.8
215.32561	0.8
239.07155	1.0
299.06198	2.0
304.12897	1.0
327.08972	1.0
344.11066	0.9
354.42624	0.9
370.15054	0.9
457.37634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69942	0.2
55.05490	0.3
56.05025	0.6
56.96556	0.2
58.06608	0.5
60.07885	0.4
60.08168	5.8
67.05511	1.8
69.07052	0.3
69.86624	1.3
71.07381	2.3
79.05490	0.7
80.05017	0.4
81.07057	1.3
86.09711	28.1
87.10030	0.3
88.82526	0.3
91.05456	0.5
93.07047	0.8
95.04975	0.2
95.08639	1.0
97.02894	0.3
98.21413	0.4
98.98475	2.6
104.10754	3.2
105.07020	0.3
107.04978	0.3
107.08585	0.5
109.10117	0.4
114.03719	0.3
117.07012	0.2
119.08571	0.5
121.10117	0.3
125.00012	18.1
133.10065	0.3
137.05927	0.3
142.02211	0.3
142.03214	1.9
143.01044	0.5
145.32443	0.2
159.11703	0.3
167.05582	0.4
170.02708	0.7
184.07350	100.0
185.07611	0.3
216.73723	0.2
227.05014	0.3
245.05959	0.7
248.76634	0.2
275.20123	1.0
293.21323	0.5
299.06238	0.7
365.16220	0.3
441.46387	0.2
500.31323	1.2
518.32471	7.8
524.30084	0.2
528.07581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03936	1.3
55.01884	1.7
65.03941	1.8
67.05499	1.1
70.33019	1.0
70.33414	0.7
77.03922	0.4
79.05492	4.0
81.03397	0.8
81.07076	0.5
83.04976	0.4
86.09715	0.8
89.03917	0.8
91.05477	3.4
93.07030	0.9
94.04155	0.4
95.04977	3.5
95.08643	0.3
101.08624	0.3
102.04676	0.5
103.05463	4.6
105.03383	0.5
105.04537	0.7
105.07022	3.6
106.04173	0.5
107.04958	100.0
108.05254	0.4
110.03664	2.0
111.04447	2.8
115.05481	1.9
117.07056	1.6
118.04156	2.5
119.04926	1.0
119.08582	0.9
121.02864	0.4
121.06524	4.2
123.04416	1.1
124.05224	0.8
125.05977	1.7
128.06210	0.4
129.07016	0.8
130.04156	1.5
131.04936	7.1
132.02077	0.5
132.05681	0.6
133.02895	0.6
133.06490	5.4
135.04417	7.8
135.08032	0.8
137.05989	4.9
141.06966	0.4
143.04893	0.6
144.05730	0.8
145.04008	1.3
145.06494	2.2
146.03564	0.5
147.04372	0.5
147.08029	1.6
148.05197	1.6
149.02350	0.7
149.05994	1.9
151.03952	0.4
151.07532	2.1
153.05487	7.3
153.06808	0.6
155.07053	0.8
155.08537	0.5
157.06465	3.1
159.08038	2.6
161.05969	6.8
162.06691	0.4
163.03906	24.6
163.07544	3.7
164.04671	0.5
165.05632	0.5
165.07027	1.1
165.09151	0.7
167.07043	12.4
167.08432	0.5
169.06500	0.6
173.05963	1.9
173.09570	0.5
175.07541	3.3
176.04688	3.0
177.09108	4.7
178.07790	0.4
179.07109	2.4
179.08447	0.6
180.07802	0.7
181.04965	1.9
181.06424	0.7
181.08556	0.4
183.08093	2.7
184.07321	1.2
184.08868	2.0
185.07973	0.7
185.09604	5.5
187.07631	1.0
189.05516	0.5
189.09128	0.7
191.07034	31.4
193.06871	0.6
193.08604	16.7
195.06531	11.2
199.07655	0.6
201.09114	3.1
202.09927	0.9
203.10652	0.6
205.08635	1.3
207.08115	1.0
207.10216	3.0
210.06715	0.5
213.08896	0.4
215.10779	0.5
217.08601	1.1
219.08109	0.6
221.06128	0.5
225.09235	0.3
227.07098	0.3
231.10249	0.5
235.07516	0.7
235.09706	1.9
235.13373	1.1
236.08354	0.5
243.10320	0.6
245.09724	0.4
249.11189	1.8
251.10770	0.3
253.08646	0.7
265.08734	0.6
267.10248	0.9
285.11234	3.9
295.09671	0.9
296.10202	0.4
297.11282	1.0
305.11670	0.6
311.12766	1.2
323.12860	0.4
323.16394	0.8
337.10617	0.7
337.14322	4.5
341.17532	1.4
353.17520	0.5
355.15384	5.5
363.15982	0.4
371.14908	3.2
517.22253	0.9
535.23126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03932	1.2
55.01877	1.7
55.05499	0.4
60.08158	0.6
65.03942	1.8
67.05495	1.0
69.07064	0.3
70.60878	1.0
70.92793	0.2
77.03918	0.4
78.04723	0.4
79.05495	4.7
81.03406	0.3
81.07047	0.7
83.04982	0.4
85.02863	0.4
86.09708	1.5
89.03911	0.7
90.62814	0.3
91.05479	3.0
93.07037	0.9
95.04961	3.8
102.04691	0.6
103.05474	5.3
104.10774	1.4
105.03406	0.4
105.04498	0.8
105.07027	3.8
105.11040	0.4
106.58608	0.3
107.04957	100.0
108.05247	0.3
109.06495	0.4
110.03642	1.3
111.04451	2.0
115.05455	2.4
117.07010	1.2
118.04173	2.4
119.04958	0.9
119.08581	1.0
120.24434	0.3
120.60553	0.2
121.02847	0.3
121.06517	4.1
123.04430	1.3
124.05220	0.4
124.99994	1.1
125.05998	2.3
128.06187	0.7
129.07011	0.8
130.04135	1.4
131.04935	6.9
131.08563	0.5
132.02069	0.3
132.05757	0.4
133.02914	0.4
133.06502	5.7
135.04413	7.8
135.08038	0.5
137.05983	1.8
140.04715	0.3
141.06941	0.3
143.04941	0.9
143.08569	0.3
144.05707	0.7
145.02959	0.3
145.03972	1.7
145.06480	1.7
146.03674	0.4
146.07280	0.5
147.04387	1.0
147.08066	1.7
148.05206	1.6
149.02307	0.5
149.05963	1.7
151.03883	0.3
151.07549	1.4
153.05464	6.8
153.06784	0.4
155.07054	0.9
155.08507	0.6
156.05719	0.3
157.06508	2.5
157.10115	0.5
159.08058	2.6
161.05988	5.2
163.03909	25.2
163.07553	2.6
164.04694	0.6
165.05582	0.6
165.07025	1.0
167.07051	12.7
167.08369	0.4
169.06468	0.6
171.08037	0.5
173.05975	1.5
173.09615	0.6
175.07552	2.6
176.04727	2.7
177.05449	0.5
177.09088	5.5
179.07106	2.6
179.08591	0.5
180.07806	0.7
181.05000	1.0
181.06438	0.5
181.08621	0.5
183.08072	2.6
184.07364	4.1
184.08894	2.1
185.06204	0.3
185.07796	0.7
185.09590	4.6
186.06700	0.3
187.07549	0.5
189.09142	1.1
191.07034	32.0
192.07616	0.3
193.08614	16.5
194.07207	0.4
195.06537	10.5
199.07541	0.4
201.09129	3.5
202.09866	0.5
203.10748	0.9
205.06784	0.3
205.08621	1.0
207.08186	0.6
207.10179	2.2
209.08115	0.4
210.06766	0.6
211.07524	0.6
217.08641	0.8
219.08159	0.6
221.06056	0.4
221.11748	0.5
225.09079	0.7
227.07228	0.3
227.10545	0.3
231.10234	0.7
235.07594	0.5
235.09583	1.9
235.13258	1.4
236.08258	0.4
237.09128	0.8
248.08257	0.3
249.09103	0.4
249.11287	1.6
253.08656	0.7
262.09940	0.3
264.07980	0.3
265.08789	0.4
267.10266	0.4
279.09845	0.3
283.09729	0.3
285.11203	3.5
287.12781	0.4
295.09677	0.7
295.13132	0.5
305.11804	0.4
309.11276	0.6
311.12909	0.4
317.14139	0.3
323.13049	0.6
323.16544	0.9
327.15845	0.4
337.10641	0.3
337.14374	4.9
341.17505	1.2
355.15436	4.7
363.16040	0.3
371.14877	4.2
517.22351	1.1
517.31122	1.1
535.23041	0.6
562.15607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13219	0.2
53.03939	2.2
55.01871	1.6
55.05506	0.6
57.03429	1.0
61.02912	1.0
63.39277	0.3
67.05495	0.8
67.99960	0.3
68.99807	1.3
69.03430	5.8
69.07053	0.7
70.06567	0.4
70.88606	0.6
71.04982	1.1
73.02917	1.6
79.05494	0.5
81.03419	7.5
81.07034	0.7
83.01389	0.3
83.04991	0.5
85.02906	10.5
85.06553	0.3
86.09715	0.4
87.00830	4.2
91.03956	0.8
91.05483	1.1
93.07039	0.7
95.04949	0.6
95.08589	0.9
97.02897	3.9
97.06518	0.6
98.97562	0.4
99.04446	2.6
103.03967	0.3
105.01858	2.3
105.03365	0.4
105.07033	0.9
107.04950	0.6
107.08584	0.8
109.02882	6.5
109.06507	0.3
109.10151	2.5
111.00832	0.5
115.03932	0.4
117.01854	0.8
119.08576	1.1
121.02888	1.7
121.06512	0.4
121.10130	0.8
123.08094	0.4
123.11718	0.3
125.09663	0.4
127.03914	9.1
129.01854	0.9
129.07025	0.4
131.08559	0.9
133.02904	0.4
133.10132	1.0
135.04388	0.4
135.08078	0.3
135.11676	2.1
137.02330	0.7
137.05963	0.7
137.09615	0.8
145.04961	3.3
145.10095	0.5
147.02893	0.7
147.04411	1.2
147.08076	0.3
153.01840	2.8
157.06412	0.3
159.02895	4.0
161.05914	0.4
161.09557	0.3
161.10831	0.3
165.01848	1.6
165.16370	0.3
173.13319	0.5
175.14844	1.0
177.05443	0.3
178.04997	0.6
183.02890	0.7
185.05949	0.3
191.14413	0.3
193.15877	1.5
211.16917	3.9
213.05444	1.0
231.04710	1.3
231.06920	0.3
239.11549	0.3
241.04962	0.7
258.05252	1.0
287.05502	100.0
288.05826	0.7
329.06387	0.5
332.10764	0.4
490.27988	0.8
491.28036	0.6
517.23523	0.3
534.30457	0.4
535.22559	0.4
535.30737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09863	0.1
51.78239	0.1
53.03946	1.4
55.01871	1.6
57.03439	1.1
61.02929	1.1
65.03952	0.1
67.01884	0.1
67.05498	0.1
68.30008	0.1
68.99796	1.1
69.03428	6.5
69.07060	0.1
69.49957	0.5
69.50378	0.4
71.05001	1.0
73.02917	1.5
79.05485	0.2
81.03417	7.6
81.07051	0.3
83.01340	0.2
84.08141	0.5
85.02905	10.7
86.09710	0.3
87.00828	4.4
87.04469	0.2
91.03944	0.5
91.05472	0.2
93.07044	0.1
95.04966	0.2
95.08609	0.2
97.02281	0.2
97.02896	4.0
98.20759	0.2
98.32326	0.1
99.04458	2.6
101.02366	0.1
103.03949	0.1
103.05431	0.2
105.01284	0.1
105.01867	3.0
105.03375	0.2
107.04957	0.3
109.02877	6.5
109.06513	0.1
109.89659	0.1
111.00794	0.7
111.04414	0.1
115.03911	0.1
115.05444	0.1
117.01864	0.9
119.08646	0.1
121.02867	2.4
121.10145	0.2
123.11745	0.1
127.03914	8.7
129.01837	0.7
129.10246	0.1
130.08618	0.1
133.02823	0.4
135.04388	0.1
137.02365	0.7
137.06027	0.1
144.05585	0.1
145.04958	2.9
145.06248	0.1
147.02907	0.5
147.04358	0.6
147.11568	0.2
148.31912	0.1
153.01828	3.3
157.06461	0.2
159.02895	3.9
163.07558	0.1
165.01817	1.5
165.12671	0.1
169.05026	0.2
171.02954	0.1
171.04416	0.3
177.04041	0.2
177.05501	0.1
183.02890	0.8
183.13829	0.2
185.05975	0.4
197.05997	0.1
199.17851	0.1
203.06947	0.1
213.03987	0.2
213.05571	1.3
230.05568	0.1
231.04729	1.0
231.06662	0.3
241.04997	0.8
243.06523	0.2
258.05243	0.9
259.06027	0.4
269.04550	0.2
287.05493	100.0
288.05695	0.6
329.06482	0.3
329.24353	0.2
373.26773	0.6
490.27969	0.5
491.28406	0.4
534.30536	0.3
535.10675	0.1
535.21478	1.2
535.31763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	22.5
57.07072	11.4
58.48013	6.4
67.05502	87.9
69.07048	26.4
69.98965	6.4
70.78077	22.5
71.08638	11.0
76.58266	7.4
77.53415	7.4
78.04139	6.6
79.05482	27.4
81.07056	90.2
83.08608	26.8
86.09684	22.9
91.05469	14.5
93.07021	29.7
95.08600	93.0
97.06527	12.4
97.10165	10.6
97.18967	6.8
97.19568	7.6
104.10735	10.2
105.07037	20.2
105.53629	7.2
107.08582	18.8
109.10149	39.7
119.08577	9.1
121.10117	15.4
123.11689	20.5
125.00015	14.8
133.10098	19.1
135.11710	13.0
149.05945	7.8
149.13181	13.6
155.10857	8.0
161.13255	8.3
163.14806	14.0
175.14842	9.5
184.07367	45.5
241.91168	7.0
245.22678	69.4
251.13516	8.4
263.23721	100.0
302.17358	12.9
337.27313	46.9
339.15912	7.2
534.39795	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	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.07886	0.1
53.03948	1.5
55.01867	1.7
57.03431	1.0
61.02924	0.7
67.92073	0.1
68.99789	1.5
69.03427	5.5
69.45758	0.9
69.46173	0.3
71.01338	0.2
71.04984	0.8
73.02921	1.5
77.20208	0.1
79.05441	0.2
81.03416	7.5
84.08133	0.3
85.02902	10.4
86.09693	0.2
87.00823	4.2
91.03946	0.5
91.80815	0.1
97.02293	0.2
97.02892	3.7
97.03511	0.2
99.04452	2.4
105.01857	2.6
105.03356	0.2
107.04957	0.3
109.02879	6.7
111.00812	0.5
117.01878	1.1
121.02862	2.3
127.03916	9.2
129.01837	0.9
133.02844	0.5
133.59633	0.1
135.04462	0.2
137.02341	0.9
145.04948	3.3
145.06172	0.2
145.06453	0.1
147.02954	0.7
147.04341	0.6
147.11469	0.1
147.33186	0.1
153.01820	3.4
157.06505	0.3
159.02888	4.0
161.05989	0.2
165.01840	1.6
171.04370	0.2
177.03830	0.2
183.02864	0.7
185.05945	0.4
197.06116	0.1
213.03758	0.3
213.05545	1.1
229.05075	0.1
231.04758	1.2
231.06895	0.3
241.04944	0.9
258.05188	1.1
259.05951	0.4
269.04483	0.3
273.92941	0.1
286.04648	0.2
287.05484	100.0
288.05786	0.8
329.06555	0.4
373.26761	0.2
535.21460	1.1
535.30731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65406	0.2
55.05497	0.4
56.05033	0.6
58.06618	0.6
60.08166	7.6
67.05489	0.7
69.07043	0.2
69.63485	1.5
71.07376	3.3
79.05505	0.5
79.06464	0.2
81.07051	0.6
83.08621	0.2
86.09708	32.3
87.38077	0.2
91.05475	0.4
91.85564	0.2
93.07050	0.7
95.04972	0.2
95.08590	0.7
98.98470	2.6
104.10746	20.5
105.07033	0.3
107.04957	0.3
107.08587	0.6
109.10165	0.4
119.08577	0.4
125.00006	22.3
133.10144	0.2
137.05981	0.7
138.21956	0.2
143.01074	0.5
166.02654	0.2
179.62102	0.2
184.07343	100.0
185.07713	0.6
211.07846	0.2
218.41260	0.2
258.07825	0.3
258.10992	0.6
324.95712	0.2
369.56870	0.2
438.50980	0.2
480.62082	0.2
500.36423	0.2
516.30811	2.7
534.31946	11.4
535.31805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54525	0.1
55.01857	0.1
56.05034	0.6
57.03432	0.1
58.06350	0.2
58.06633	0.4
60.08163	6.7
63.84005	0.1
63.87007	0.1
67.05502	0.2
67.38302	0.1
70.06600	0.2
71.07370	3.0
71.13567	0.3
79.05506	0.3
81.07036	0.2
81.32426	0.1
84.54211	0.1
86.09705	29.8
87.10071	0.2
89.83818	0.1
91.05474	0.4
93.07039	0.5
98.98468	2.8
104.10744	3.3
104.11416	0.3
105.07035	0.3
107.04953	1.5
107.08571	0.2
116.99467	0.2
125.00005	20.9
131.04956	0.2
143.01062	0.4
162.35063	0.1
163.03925	0.5
167.07037	0.2
184.07339	100.0
185.07712	0.7
191.07028	0.5
193.08641	0.3
195.06586	0.2
216.11197	0.1
258.10995	0.2
447.56747	0.1
498.29962	0.8
516.30872	6.3
517.30963	0.2
528.41089	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	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.05036	1.5
58.06619	2.2
60.08171	18.0
60.60125	0.6
67.05515	2.1
69.07080	1.0
69.31525	6.8
71.07381	6.7
73.59927	0.7
79.05496	1.9
81.03426	0.8
81.07065	2.4
85.02919	0.9
85.94392	0.8
86.09712	48.9
91.05486	2.0
93.07069	2.4
95.04983	1.0
97.02917	0.7
97.06549	0.7
98.98470	3.3
104.10752	99.4
104.96383	0.7
105.07065	2.6
107.04959	5.1
109.10101	0.7
119.08622	1.3
125.00016	26.8
131.04884	0.8
131.08614	0.8
133.06476	1.3
135.04420	0.8
135.11697	0.8
137.05991	2.7
143.01076	0.7
153.05495	1.1
163.03947	1.3
184.07355	100.0
185.07652	1.0
191.06943	1.2
195.06599	0.8
200.16177	0.7
258.11060	0.7
293.21136	1.0
294.92621	0.8
310.17709	0.7
337.14813	0.7
350.20697	0.6
391.84235	0.8
402.10315	0.7
405.21890	0.7
472.18130	0.8
498.29831	5.0
516.30890	43.7
517.31177	1.2
534.22229	1.2
534.31335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05031	0.5
57.03429	0.3
58.06613	0.4
60.08166	5.6
64.94852	0.2
67.05497	0.6
69.07092	0.3
71.07374	2.7
72.93457	0.2
79.05495	0.5
81.03429	0.2
81.07059	0.7
86.09707	28.8
91.05499	0.5
93.07041	0.7
95.08621	0.4
98.21494	0.5
98.98466	1.8
104.10748	3.6
105.07012	0.4
107.04939	0.3
107.08587	0.2
109.02892	0.3
109.06541	0.2
109.10125	0.3
119.08589	0.4
121.10199	0.2
125.00006	18.7
126.02934	0.2
127.03982	0.2
133.10085	0.3
135.11710	0.3
137.06001	0.7
143.01050	0.4
166.02672	0.2
177.05528	0.3
184.07343	100.0
185.07614	0.3
193.08711	0.2
237.18581	0.2
258.11066	0.2
346.04434	0.2
411.22211	0.2
498.29373	0.7
516.30872	5.3
534.20349	0.3
534.30951	0.4
535.00470	0.2
555.85095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26174	0.2
55.05492	0.2
56.05031	0.6
58.06602	0.3
60.08161	5.5
67.05498	0.6
69.07076	0.2
69.94792	1.0
70.06607	0.2
71.07372	2.6
75.34882	0.2
79.05492	0.8
81.03403	0.3
81.07042	0.4
81.22705	0.2
85.42643	0.2
86.09705	29.4
91.05482	0.8
93.07047	0.5
95.04965	0.3
95.08601	0.4
98.98457	2.4
104.10740	3.8
105.07008	0.8
105.07645	0.2
107.04952	0.6
107.08569	0.3
115.78603	0.2
117.06992	0.2
122.03651	0.2
125.00002	19.5
131.04910	0.4
131.08524	0.2
131.44460	0.2
133.02852	0.9
133.06506	0.5
137.05971	3.7
138.06296	0.2
143.01038	0.6
151.07578	0.5
151.11218	0.3
155.08554	0.5
161.05957	0.9
163.07552	0.4
165.05496	0.3
167.07184	0.4
175.07570	0.3
177.08981	0.2
183.08006	0.5
184.07338	100.0
185.07629	0.6
187.07590	0.3
189.09183	0.2
193.08630	2.7
205.08633	0.5
207.10152	0.3
215.10709	0.7
239.52103	0.2
258.11124	0.3
276.07452	0.3
293.21182	0.5
329.14145	0.4
383.18433	0.3
424.39136	0.2
488.13556	0.7
516.30914	1.4
517.22430	0.2
534.14392	1.4
534.31915	5.8
535.14325	0.3
535.22864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01863	3.7
55.05511	1.9
57.03436	7.3
59.04996	0.6
61.02927	11.6
61.90091	0.5
67.05507	2.9
69.03429	33.4
69.07072	7.6
69.95219	3.0
70.95261	0.5
71.01353	0.7
71.04999	3.5
72.08167	0.6
72.48990	0.4
73.02911	4.0
79.05484	3.1
81.03418	13.3
81.07055	3.7
83.01341	1.1
83.04993	1.1
83.08620	2.3
83.50029	0.5
84.23392	0.5
85.02905	100.0
86.03226	0.8
86.09716	0.6
87.04466	5.0
91.03953	4.9
91.05486	2.6
93.07054	3.8
95.04972	6.7
95.08594	5.0
97.02892	36.8
97.06529	4.5
97.10201	0.8
99.04453	6.8
101.02377	0.8
103.03956	1.5
105.07046	4.8
107.04984	0.6
107.08591	6.8
109.02882	10.6
109.06516	4.5
109.10171	3.3
111.04432	1.3
113.06015	0.9
115.03940	1.0
117.07052	0.6
119.08585	4.4
121.06496	3.3
121.10158	3.5
122.06062	1.0
122.07259	3.8
123.04427	1.0
123.08065	19.6
123.11712	1.4
127.03919	31.0
127.07531	0.6
131.08574	1.6
133.10130	5.5
135.08054	26.8
135.11684	3.7
137.05965	0.9
137.09639	1.6
145.04956	40.4
145.10115	2.4
147.04408	2.5
147.08087	0.6
147.11662	2.4
148.08818	0.7
149.09615	1.9
149.13229	1.5
150.65614	0.6
150.84264	0.5
151.11208	0.8
158.07181	0.6
159.11774	0.7
163.03915	0.7
163.06044	7.8
163.11226	0.6
163.14847	0.7
165.12750	21.1
169.01363	0.7
171.06569	1.7
173.13297	1.4
175.14809	4.0
176.11998	3.8
177.05481	2.2
177.12770	0.9
184.07318	0.9
189.07547	2.6
191.14307	96.2
192.14673	1.4
193.15872	13.7
207.13782	4.7
209.15363	19.1
213.23343	0.6
287.05804	0.6
309.17029	0.7
335.18994	0.6
353.19647	3.1
371.20673	10.7
390.56863	0.6
455.71979	0.5
533.25970	44.4
534.26123	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.48325	1.4
55.01878	8.3
55.05513	9.9
57.03440	3.3
61.02907	2.1
65.03928	2.5
67.05506	40.4
69.03429	6.5
69.07070	40.3
71.04994	3.4
71.58671	3.0
79.05496	26.1
81.03424	48.1
81.03909	2.3
81.07056	19.2
83.04980	11.4
83.08632	5.7
85.02926	3.3
85.06543	3.4
91.05488	37.0
91.06068	2.1
93.07047	29.1
94.51939	1.6
95.04960	13.1
95.08601	26.8
97.02876	2.7
97.06544	7.2
97.10167	4.4
99.08075	1.9
103.05467	2.3
105.07024	17.0
107.04958	66.3
107.08584	18.1
109.06532	6.2
109.10162	23.3
111.04455	1.9
111.08087	4.4
111.42048	1.6
115.05534	2.1
117.07020	10.6
119.04961	4.7
119.08598	18.5
121.06532	11.6
121.10159	8.0
122.06043	3.2
123.04446	3.4
123.08068	4.3
125.09649	5.3
128.06223	2.1
129.07056	5.6
131.04973	2.3
131.08554	14.4
133.06436	7.4
133.10120	12.0
135.04428	7.0
135.08044	10.3
135.11685	3.0
137.05983	40.0
137.09624	17.4
139.11195	2.9
141.07008	3.2
143.08611	4.6
145.06468	2.7
145.10143	13.4
147.04424	10.2
147.08066	6.9
147.11732	3.6
149.05995	6.2
149.09622	53.0
149.13272	2.2
155.08533	3.0
155.10680	1.8
157.10150	7.1
159.08069	2.9
159.11710	12.9
161.06015	7.6
161.09618	4.9
163.07544	3.2
163.11227	6.5
165.09160	2.3
169.10123	3.7
171.11754	2.3
173.05994	6.9
173.09647	2.5
173.11748	7.8
175.07568	5.3
175.11192	8.1
177.12788	6.3
187.07559	3.3
187.11224	5.6
189.12773	2.6
199.11133	2.5
203.10736	5.6
205.12267	3.2
217.12350	2.1
221.08104	1.7
221.11768	3.3
223.13290	3.4
229.12286	15.9
235.13411	4.0
243.13776	2.9
255.17473	2.3
271.13400	5.1
273.18530	11.0
275.20090	10.8
291.19550	100.0
293.21005	2.3
339.15906	3.0
347.11761	2.0
349.23770	24.3
391.22739	2.5
407.13342	2.0
409.23746	6.3
426.26517	3.4
427.24817	22.4
455.24194	3.3
462.28516	97.2
490.27979	43.3
517.24066	2.5
534.27118	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.2
55.05500	0.8
56.05040	1.4
57.03436	0.5
57.07070	0.3
58.06583	1.4
59.07400	0.4
60.08163	15.5
65.82063	0.2
67.05508	1.4
69.03432	0.3
69.07056	0.6
70.08084	1.2
71.07372	5.6
72.08144	0.5
79.05490	1.0
81.03424	0.3
81.07034	1.3
83.04987	0.2
85.02920	0.3
86.09703	45.1
91.05479	1.2
93.07047	1.3
95.04958	0.6
95.08591	1.0
98.20808	0.4
98.98468	2.7
100.94302	0.2
104.10741	100.0
104.32394	0.3
105.07032	1.1
107.04952	0.4
107.08582	0.9
109.06516	0.5
109.10175	0.3
117.07029	0.6
118.96054	0.2
119.08584	0.7
121.06521	0.5
121.10156	0.4
122.06055	0.3
123.08081	0.4
125.00001	24.1
131.08577	0.6
135.11624	0.3
143.01018	0.7
145.10107	0.6
147.08051	0.3
147.11717	0.5
149.09622	0.3
152.49290	0.2
159.11671	0.5
163.01541	0.6
184.07335	79.2
185.07677	0.3
202.62198	0.2
219.69110	0.2
242.48767	0.3
248.36214	0.3
258.11005	0.8
275.20041	0.9
349.23877	0.4
435.44427	0.2
436.15518	0.3
514.29352	6.0
532.30328	46.4
533.30579	0.4
545.32391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.6
58.06625	0.6
59.07110	0.1
59.07393	0.2
60.08163	7.0
67.05502	0.1
69.07062	0.2
69.98528	0.1
70.90032	0.3
71.07375	2.5
79.05468	0.3
81.07059	0.3
82.45300	0.1
85.09234	0.1
86.09705	30.2
87.10011	0.1
91.05480	0.2
93.07047	0.4
95.04983	0.1
97.06503	0.1
98.98465	2.7
104.10744	3.4
105.07047	0.2
107.08608	0.2
125.00004	20.8
131.35185	0.1
134.99397	0.1
142.19684	0.1
143.01068	0.5
163.01517	0.1
166.02756	0.3
175.14798	0.1
184.07336	100.0
185.07693	0.4
202.72704	0.1
217.81577	0.1
228.26974	0.1
258.11142	0.2
275.20139	0.2
345.28683	0.1
346.72797	0.1
349.24069	0.1
376.55685	0.1
514.29340	1.1
532.30341	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	533.1478
Annotation	Trichotomine
Peak:m/z	Relative Intensity
58.20839	0.6
67.05470	0.7
69.03423	1.3
69.28923	7.1
70.06599	1.0
77.09283	0.6
81.03412	1.2
85.02894	2.3
86.09732	0.6
88.64417	0.7
95.04967	0.9
95.08658	0.6
97.02911	1.6
98.21519	1.2
99.04474	0.6
103.03996	0.6
107.08627	1.1
109.02886	1.6
113.32017	0.6
121.90470	0.6
127.03925	2.2
130.90631	0.5
139.03668	1.4
146.72595	0.7
149.09604	0.8
153.01630	1.7
157.16986	0.6
163.03929	0.8
191.14220	0.8
209.15385	3.0
227.05270	38.3
238.77066	0.6
245.06238	1.2
269.06305	18.4
287.07413	12.6
329.08420	38.0
341.06729	0.6
354.14343	1.1
363.03983	0.6
370.16571	1.2
371.16757	4.0
533.14752	100.0
534.15179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3683
Annotation	Holstinone A
Peak:m/z	Relative Intensity
53.03937	3.3
55.01870	3.6
55.05270	1.6
55.05513	24.4
57.07062	3.1
64.92908	1.5
65.03938	1.7
66.16668	1.7
67.05505	50.0
69.07069	18.3
71.04984	5.0
71.09592	1.5
71.60211	3.1
75.71928	1.6
79.05064	2.0
79.05495	29.9
81.03430	4.2
81.07057	48.9
83.04971	4.9
83.08624	14.2
85.06533	3.4
91.05479	29.2
93.07046	40.4
95.04443	1.5
95.04949	8.0
95.08609	29.0
97.06517	4.6
97.10149	11.1
99.08068	2.1
105.07029	36.8
107.08595	29.7
109.06480	2.2
109.10156	16.1
111.08066	2.6
115.88532	2.1
117.07018	15.9
119.07799	2.8
119.08581	35.4
121.06517	2.0
121.10137	13.4
123.08052	4.0
123.11720	2.9
125.09638	5.4
128.06221	3.1
129.06978	12.2
131.08569	30.0
133.10141	25.9
135.08009	2.4
135.11693	18.2
137.09590	2.0
142.07773	3.6
143.08557	18.9
145.10112	35.0
147.11699	18.3
149.13232	3.8
155.08562	6.9
156.09337	2.2
157.10123	20.8
159.11685	28.0
161.09555	2.1
161.13280	11.5
163.11139	2.5
163.14793	2.8
169.10109	11.2
171.11688	22.0
173.13249	17.3
175.14903	7.8
181.10144	3.7
181.12224	2.5
183.11690	11.3
185.13251	14.0
187.14778	9.4
195.11722	6.2
197.13287	9.5
199.14851	9.5
207.11778	2.5
209.13295	5.8
211.14783	6.1
213.16440	3.8
221.13254	1.7
223.14845	4.5
225.16409	3.1
231.21021	2.0
241.19539	10.2
251.17850	1.8
253.14290	3.7
255.15822	13.9
257.19046	2.5
259.20609	20.1
261.18625	2.1
271.20474	1.9
275.20123	2.6
285.22253	3.2
287.23700	3.0
295.01364	2.1
297.21967	2.6
299.23602	4.0
313.21652	2.1
315.23181	3.6
323.23627	2.0
333.24252	6.8
359.25888	1.8
393.31992	2.2
403.30008	6.0
409.31082	3.7
411.32529	10.0
421.31073	20.7
439.31961	15.8
455.19788	1.7
457.33182	15.5
483.34601	3.1
485.36063	5.7
495.34637	7.2
501.35751	7.2
503.37305	34.2
513.35767	100.0
514.35968	3.0
531.36780	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43074	1.0
53.03941	2.2
55.01880	5.4
55.05266	1.3
55.05512	12.8
57.03422	2.8
57.07061	1.9
61.60785	0.9
64.55463	0.9
65.03931	2.8
66.88114	0.9
67.05505	56.7
67.42476	1.0
69.03428	1.5
69.07066	16.1
69.30450	1.4
69.30846	9.9
71.04977	5.5
79.05496	33.9
79.05964	1.8
81.03426	3.3
81.07057	53.4
83.04990	5.0
83.08623	4.8
85.06546	4.5
87.04458	2.3
91.05479	36.9
93.06470	2.1
93.07043	38.9
95.04977	7.9
95.08611	24.8
96.70725	1.0
97.06526	3.9
97.10194	1.5
98.20621	1.1
98.24106	0.9
98.98191	1.0
99.04425	1.8
99.08102	1.9
103.05443	1.1
105.07033	37.8
107.04934	1.9
107.08595	36.8
109.06512	3.7
109.10159	48.7
113.06001	2.1
117.07009	4.2
119.08591	9.5
120.14082	0.9
121.06470	1.5
121.10159	12.6
123.08036	2.3
123.11717	10.0
127.07572	2.5
131.08589	10.5
133.10133	55.8
135.08028	1.1
135.11688	12.2
137.13210	1.7
142.91132	1.1
143.08551	2.4
145.10147	6.0
147.11667	3.9
149.13239	4.7
151.09973	1.6
151.11185	32.3
159.11684	4.1
161.09636	1.7
161.13237	2.5
163.11201	2.3
163.14737	1.9
169.12231	8.8
173.13274	3.3
175.14722	1.3
177.16432	1.2
185.13193	1.2
187.14880	2.2
194.10318	1.1
201.16434	1.1
215.12759	3.4
227.12784	1.7
243.20961	4.9
253.14349	88.8
261.22107	16.9
271.15430	2.0
311.54373	1.1
317.24927	2.8
329.09882	1.2
386.15540	1.0
439.32156	3.7
457.33246	4.9
468.61169	1.3
513.35913	14.6
531.37360	100.0
532.38098	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.1
56.46497	4.2
57.03436	8.2
61.02934	6.8
65.04002	4.3
67.05501	31.1
69.03437	7.0
69.07082	11.5
71.05015	5.4
71.08627	15.8
71.58417	5.4
74.90800	4.2
76.83231	4.0
79.05499	31.6
81.03430	5.7
81.07061	37.4
81.07495	5.4
83.08630	11.5
85.02915	9.9
91.03944	4.8
91.05482	27.6
93.07059	36.7
95.08624	33.8
97.02877	11.2
97.06550	8.5
97.10201	5.8
99.08114	10.7
105.07053	23.4
107.04973	4.9
107.08595	25.8
109.06551	4.3
109.10163	12.6
117.07027	5.4
119.08607	22.3
121.10155	19.1
121.82147	4.0
127.03914	5.7
131.08604	9.5
133.10161	16.7
134.55875	4.3
135.11711	16.0
137.05983	6.7
145.10086	5.9
147.11679	6.3
149.13254	7.6
159.11697	5.2
161.13200	8.6
173.44955	4.4
179.14389	26.4
190.86092	4.2
259.20654	10.2
277.21652	33.5
320.96457	4.2
351.25302	100.0
396.99146	4.9
513.30255	6.4
531.12030	6.8
531.36658	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	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01866	3.7
55.05513	10.0
57.03432	2.9
57.07079	1.4
65.03949	1.8
67.05510	44.0
69.03438	1.8
69.07071	11.9
71.04993	4.4
79.05499	27.9
81.03418	1.9
81.07061	46.5
83.04987	4.1
83.08617	4.2
85.06535	4.6
87.04457	1.2
91.05486	29.1
93.07045	30.1
95.04974	3.9
95.08043	1.8
95.08607	19.9
97.06522	3.1
97.10172	1.3
98.21527	1.9
99.04433	2.0
105.07032	31.7
107.04978	0.9
107.07864	1.7
107.08595	30.1
107.09297	1.8
109.06527	4.1
109.10162	42.1
110.20477	0.9
111.08097	1.8
113.06028	2.3
113.97517	0.8
117.07024	4.1
119.08595	8.6
121.10146	11.2
123.11703	6.7
127.07582	2.5
129.07018	1.1
131.08569	8.5
133.10132	51.8
135.11690	7.5
143.08572	1.0
145.10167	4.6
147.11685	4.1
149.13228	5.1
151.11189	28.0
151.98763	0.9
153.12759	0.9
157.10167	1.3
159.11693	4.7
161.09642	1.0
161.13271	2.2
163.11220	1.2
163.14917	1.1
169.12260	6.0
171.11768	1.1
173.13258	3.6
175.11197	0.9
175.14850	1.6
179.10651	2.8
185.13300	1.2
185.15996	0.9
187.14969	1.2
215.12851	3.5
243.21164	3.4
245.58601	0.8
253.14365	71.1
254.14691	1.0
261.22162	13.9
271.15341	1.7
317.24738	2.7
411.13654	1.0
439.32050	3.1
457.33148	3.0
513.35730	11.5
531.37640	100.0
532.37708	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	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01865	4.3
55.05508	16.6
55.61732	1.3
57.03423	4.7
57.07068	2.5
58.19395	1.4
63.00447	1.7
65.03933	5.5
67.05504	78.8
69.03429	4.1
69.07067	21.8
71.04998	5.1
71.60255	2.1
73.56602	1.7
77.03902	2.2
79.05494	48.8
79.05959	2.5
81.03415	4.6
81.07058	77.6
83.04975	8.0
83.08624	7.9
85.06540	4.8
91.05480	51.2
93.07042	59.8
93.07633	2.9
95.04966	8.9
95.08611	30.5
97.06520	4.6
97.10195	2.7
99.04461	3.1
105.07032	49.2
107.08591	49.8
108.82935	1.7
109.06511	6.8
109.10158	76.1
113.06026	1.8
117.07021	9.3
119.08584	13.7
121.06483	1.6
121.10151	21.3
123.08095	2.1
123.11717	14.4
125.09636	1.8
127.07533	3.2
129.07054	2.4
131.08562	11.7
133.06479	1.7
133.10132	82.0
135.11694	14.4
137.13242	2.0
143.08530	3.5
145.10088	8.0
147.11678	5.6
149.13245	5.8
151.11186	43.8
157.10115	2.8
159.11748	4.3
161.09708	2.6
161.13257	4.7
163.14847	2.2
169.12221	12.5
171.11743	1.6
173.13272	5.9
175.14882	2.2
179.10664	2.3
179.14259	1.6
187.14790	2.1
215.12834	5.6
243.21115	4.1
253.14355	84.9
261.22159	21.0
271.15356	2.6
317.24869	4.1
339.69189	1.6
382.69580	1.7
402.55362	1.5
421.31003	2.4
439.32135	4.4
457.33063	4.2
513.35944	14.9
531.36798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01871	2.7
55.05515	18.4
56.84416	2.4
56.96573	3.0
57.03439	17.3
59.05004	28.2
61.02921	7.0
63.08426	2.0
65.03935	2.9
67.05171	3.9
67.05507	58.5
69.03440	11.1
69.07054	6.4
70.06608	3.1
71.04981	6.4
74.09718	6.8
79.05498	6.7
81.03420	12.1
81.07063	14.4
83.04985	5.7
83.08626	7.0
85.02911	19.8
85.06528	6.0
86.09705	3.6
87.04466	64.7
89.03885	2.0
91.03961	4.8
91.05481	23.0
93.07041	5.7
94.06581	2.4
95.04971	7.3
95.08614	3.9
96.08121	3.0
97.02909	11.0
97.06541	5.0
97.10181	6.7
98.97589	3.0
99.04459	6.0
99.08057	2.4
103.03919	3.4
105.07043	4.9
107.08613	5.6
109.02886	6.4
109.06557	2.4
109.10158	60.9
111.04469	3.5
111.08098	2.2
119.04947	2.2
119.08573	7.5
121.06519	2.3
121.10174	3.4
122.06016	11.1
123.08031	2.8
124.07635	2.7
125.09642	6.3
127.03920	10.7
131.08545	2.8
135.07959	2.0
137.05959	5.5
137.09654	2.9
143.03511	2.5
145.02812	3.3
145.04977	3.5
147.04401	11.3
155.10722	3.0
163.03958	2.8
173.11751	40.6
177.05511	7.2
177.07674	2.4
184.07350	2.5
193.08609	13.8
204.10298	2.6
229.12074	5.1
229.14365	100.0
239.49741	2.2
254.12236	2.4
257.13809	8.3
275.11673	2.3
333.19113	4.0
373.62302	2.4
477.23129	4.0
530.21692	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	531.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.1
56.77732	0.1
67.05511	0.2
69.07067	0.1
69.86510	0.3
69.86939	0.4
81.07056	0.2
89.69639	0.1
91.05486	0.2
93.07050	0.3
95.08615	0.3
105.07005	0.1
107.04992	0.1
119.08596	0.1
130.97873	0.1
147.11673	0.1
157.10126	0.1
183.97926	0.1
191.62045	0.1
202.07709	0.2
205.06494	0.2
213.06996	0.1
217.01085	0.1
217.06711	0.1
220.84335	0.1
221.05795	0.1
230.07321	0.2
233.05957	1.6
234.06828	0.2
241.06462	0.3
242.07304	0.2
245.05963	1.2
257.06036	0.5
258.06775	3.7
259.20602	0.1
261.05399	0.1
262.06293	0.6
269.06070	0.2
270.06754	0.9
271.07562	0.2
273.05441	2.0
285.05542	0.9
326.10992	0.1
353.09735	0.5
354.10318	0.2
357.08801	0.1
374.10965	0.1
376.12259	0.1
377.09399	0.2
381.09146	0.5
382.09869	0.8
387.11862	0.2
390.10089	0.2
392.11951	0.2
400.12616	0.4
401.13138	0.3
402.14410	0.2
403.11154	0.7
404.12003	0.4
405.13077	0.1
409.08972	0.2
410.09528	0.5
411.11618	0.5
413.13174	0.1
414.10577	0.3
416.12067	0.3
417.12817	0.6
418.13873	0.6
419.14444	0.3
420.11264	0.1
422.09418	0.1
427.11047	0.7
428.11865	0.6
429.12775	2.4
430.13440	0.4
431.10541	0.6
432.11499	0.8
433.12585	0.1
438.09622	0.5
439.11127	0.4
440.11728	0.9
441.13300	0.2
442.09464	0.2
443.10529	0.6
444.11215	0.2
445.12204	1.9
445.17746	0.2
446.12994	1.3
447.14197	1.6
448.10745	0.4
454.09344	0.2
455.10800	0.3
456.11441	2.0
457.12259	2.8
458.13058	1.9
459.10339	0.3
460.10837	0.7
461.12009	0.5
467.10681	0.8
468.11594	0.3
469.11993	0.3
473.11673	1.6
474.12558	2.6
475.13339	4.5
476.10727	0.4
483.10101	0.2
484.11053	0.9
485.11749	4.4
486.12479	1.3
488.10464	0.2
489.11200	0.6
495.10196	0.2
496.11145	0.4
501.11151	1.4
502.11975	2.5
503.12762	8.3
512.10364	0.4
513.11243	7.0
514.11926	0.5
529.10315	0.7
530.11505	0.4
531.12274	100.0
532.12701	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	530.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01871	2.7
55.05515	18.4
56.84416	2.4
56.96573	3.0
57.03439	17.3
59.05004	28.2
61.02921	7.0
63.08426	2.0
65.03935	2.9
67.05171	3.9
67.05507	58.5
69.03440	11.1
69.07054	6.4
70.06608	3.1
71.04981	6.4
74.09718	6.8
79.05498	6.7
81.03420	12.1
81.07063	14.4
83.04985	5.7
83.08626	7.0
85.02911	19.8
85.06528	6.0
86.09705	3.6
87.04466	64.7
89.03885	2.0
91.03961	4.8
91.05481	23.0
93.07041	5.7
94.06581	2.4
95.04971	7.3
95.08614	3.9
96.08121	3.0
97.02909	11.0
97.06541	5.0
97.10181	6.7
98.97589	3.0
99.04459	6.0
99.08057	2.4
103.03919	3.4
105.07043	4.9
107.08613	5.6
109.02886	6.4
109.06557	2.4
109.10158	60.9
111.04469	3.5
111.08098	2.2
119.04947	2.2
119.08573	7.5
121.06519	2.3
121.10174	3.4
122.06016	11.1
123.08031	2.8
124.07635	2.7
125.09642	6.3
127.03920	10.7
131.08545	2.8
135.07959	2.0
137.05959	5.5
137.09654	2.9
143.03511	2.5
145.02812	3.3
145.04977	3.5
147.04401	11.3
155.10722	3.0
163.03958	2.8
173.11751	40.6
177.05511	7.2
177.07674	2.4
184.07350	2.5
193.08609	13.8
204.10298	2.6
229.12074	5.1
229.14365	100.0
239.49741	2.2
254.12236	2.4
257.13809	8.3
275.11673	2.3
333.19113	4.0
373.62302	2.4
477.23129	4.0
530.21692	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05509	14.8
57.03434	4.4
57.07068	3.3
57.86091	1.8
67.05506	36.5
68.22192	1.8
69.07072	12.4
70.64509	6.8
76.03398	1.9
79.05492	30.2
81.03470	2.6
81.07059	43.7
83.04968	3.0
83.08612	6.2
91.05473	19.9
93.07045	36.0
95.04973	6.0
95.08604	22.1
97.06503	4.7
97.10204	2.3
105.07030	19.9
107.08592	18.9
109.10188	8.8
117.07049	7.2
119.08591	13.5
121.10137	14.3
123.11707	2.3
129.07047	3.7
131.08566	15.9
133.10106	11.9
135.11693	8.6
143.08588	5.7
145.10115	9.4
147.11676	6.5
149.13284	9.2
151.20856	2.1
152.23824	1.8
156.82413	1.8
157.10135	4.2
159.11725	11.1
161.13234	3.0
162.93095	2.4
164.13252	1.9
169.10170	3.3
171.11649	3.8
173.13304	4.0
175.15048	1.9
183.11655	1.9
185.13260	4.2
187.14891	3.8
195.13838	3.5
197.13229	2.5
437.34393	5.8
455.35510	5.5
511.37924	5.1
529.38885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01871	2.3
55.05511	6.7
57.03447	4.1
57.07087	0.9
61.02931	3.7
66.07112	0.6
67.05508	11.8
67.63000	0.7
69.03413	2.0
69.07074	7.9
69.35026	6.4
71.04986	1.5
72.15635	0.5
72.32355	0.7
73.02913	1.1
79.05499	10.0
81.03402	1.7
81.07056	13.3
83.04980	3.7
83.08630	3.3
85.02892	3.8
85.06529	0.7
91.03956	1.8
91.05479	11.4
93.07050	12.8
95.04964	4.0
95.08610	8.7
97.02885	2.1
97.06530	2.4
97.10172	0.9
98.21480	1.5
101.02368	0.9
105.07036	12.1
107.04945	5.0
107.08588	9.5
109.06538	5.5
109.10148	4.9
111.08054	1.4
117.07038	4.5
119.08579	8.0
121.06523	6.0
121.10139	5.0
123.08062	2.4
123.11722	1.7
125.09638	0.7
127.03899	1.7
129.07047	1.0
131.08563	10.3
133.06502	1.7
133.10144	8.6
135.08080	2.6
135.11690	3.7
135.40759	0.7
137.05960	1.0
137.09618	1.3
143.08531	1.5
145.06471	1.5
145.10130	7.9
147.08051	2.5
147.11700	6.4
149.09631	4.5
149.13271	2.1
151.11229	3.2
155.08524	1.3
157.10144	1.9
159.08080	1.6
159.11681	5.7
161.09627	1.9
161.13245	1.7
163.11179	4.6
165.12769	0.7
169.10085	1.4
170.88603	0.6
171.11684	1.4
173.09682	1.5
173.13312	3.7
173.55817	0.8
175.11244	1.8
177.12680	1.3
183.11705	1.7
187.11095	0.7
191.14386	2.2
197.13258	0.9
199.13106	0.9
201.12656	1.6
207.13835	1.9
215.17955	1.1
219.13806	1.8
229.19496	1.4
233.19144	0.9
239.18015	1.8
247.20651	1.6
257.19037	6.8
275.20068	43.3
276.20364	1.3
293.21036	7.3
332.50922	0.7
349.23737	100.0
350.24091	2.0
357.15753	0.9
367.24963	5.0
391.24261	1.0
511.29010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
53.37618	1.2
55.01868	1.9
55.05515	13.7
57.03435	3.2
57.07063	3.6
63.78452	1.4
65.03934	1.7
67.05508	34.7
69.03435	1.7
69.07068	11.0
70.06603	2.1
71.04993	2.1
71.58364	2.1
79.05496	25.0
81.03413	2.1
81.07061	41.1
83.04981	1.6
83.08620	6.7
85.06526	1.9
87.04447	3.0
88.07619	3.0
89.31924	1.4
91.05487	21.1
93.07051	35.0
95.04980	4.7
95.08611	22.0
97.06541	3.5
97.10174	3.2
102.09200	3.9
105.07039	16.6
107.08601	19.1
109.06481	1.8
109.10152	8.4
111.08128	2.1
117.07022	11.9
119.08598	12.4
121.10137	13.2
123.11743	2.5
125.09662	1.5
128.06226	2.3
129.07016	3.3
131.08582	16.9
132.76649	1.1
133.10126	9.5
135.11673	7.6
139.11177	1.3
143.08623	5.2
145.10136	11.8
147.11720	5.7
149.13284	6.1
150.08450	1.1
155.08623	2.5
157.10179	6.9
159.11728	9.2
159.12967	1.3
159.13452	1.1
161.13271	3.0
163.14717	1.4
169.10153	3.4
171.11705	5.3
173.13309	4.8
175.14857	1.6
183.11665	2.0
185.13338	4.1
187.14870	2.3
195.13863	3.2
197.13300	2.4
198.97337	1.5
199.14932	2.4
201.16490	1.8
211.14861	1.8
256.26358	28.7
261.22202	1.3
274.74628	1.4
419.32907	1.7
437.20651	1.6
437.34183	7.9
455.35172	3.5
461.97626	1.3
473.36026	2.0
511.37997	5.8
522.78192	1.3
529.38904	100.0
530.39380	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	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01866	1.8
55.05511	6.5
57.03437	15.3
59.06419	1.5
61.02917	3.3
61.58573	2.0
66.88129	1.8
67.05509	16.3
68.69583	1.5
69.03428	2.1
69.07063	4.5
69.93776	5.5
69.94180	5.1
79.05499	16.0
81.03423	3.2
81.07062	17.1
83.04977	3.0
83.08614	3.3
85.02888	5.7
85.06534	4.3
91.05482	19.6
93.07043	20.3
95.04968	3.9
95.08618	12.4
97.02892	1.8
97.06559	3.3
99.04433	2.8
105.07037	15.0
107.04956	2.4
107.08588	12.5
109.06516	5.1
109.10141	5.6
117.07016	6.9
119.08585	16.3
121.06458	2.7
121.10162	5.8
127.03972	1.7
129.07007	2.6
131.08566	14.2
133.10143	8.8
135.06793	1.5
135.07982	2.5
135.11723	4.4
135.57228	1.6
137.06012	3.5
137.09610	2.0
145.10118	6.7
147.11668	6.2
149.09682	1.9
157.10233	2.0
159.11699	5.1
161.13306	2.3
173.13295	2.3
185.13298	3.2
197.13161	2.4
201.16408	4.1
219.17447	81.6
257.19089	4.3
275.20078	10.3
349.23755	100.0
350.24026	2.0
468.80240	1.7
529.34924	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	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.8
53.03947	11.6
55.01868	12.6
55.05510	26.3
57.03436	24.3
59.04999	1.5
61.02607	2.3
61.02923	49.0
65.03941	4.6
67.05504	77.8
67.39397	1.5
69.03429	29.3
69.07066	26.2
71.01353	1.6
71.04991	9.1
71.58914	2.1
73.02916	19.7
79.05491	58.6
81.03416	26.2
81.07055	100.0
83.04977	16.6
83.08601	12.7
85.02904	49.1
85.03427	2.1
85.06525	7.5
86.03233	1.7
91.03954	24.3
91.05477	54.0
93.07040	58.5
95.04962	16.1
95.08602	39.6
97.02892	35.0
97.06529	21.0
97.10167	7.6
99.04463	7.6
99.08110	5.4
101.02383	9.5
103.03929	4.2
105.07025	51.3
105.67165	1.5
107.04942	12.2
107.08583	41.5
109.02866	10.2
109.06515	12.4
109.10154	31.5
111.04462	2.4
111.08092	7.4
115.03938	2.4
115.05450	1.7
115.27523	1.5
117.07008	19.4
117.77880	1.7
119.08583	43.4
121.06506	5.5
121.10140	23.4
121.68899	1.7
123.04391	2.3
123.08051	6.4
123.11710	10.7
125.09632	5.5
127.03920	17.2
128.06221	1.6
129.05493	6.3
129.07022	6.5
130.07837	1.7
131.08565	27.7
133.06464	2.1
133.10123	47.2
135.08055	6.5
135.11665	15.9
135.66939	1.5
137.05984	4.0
137.09615	6.6
142.07864	1.5
143.08556	6.3
145.04961	6.6
145.06505	2.3
145.10117	22.4
147.08032	3.0
147.11679	18.8
149.09598	13.5
149.13228	18.4
151.07454	1.8
151.11194	10.7
153.09038	2.0
155.08551	3.9
157.10092	8.8
159.07980	1.7
159.11682	23.7
161.09573	3.7
161.13260	6.9
163.11108	9.0
165.12750	4.6
169.10115	4.1
169.12236	1.8
171.10277	3.2
171.11681	5.9
173.04465	2.3
173.09698	2.8
173.11736	4.0
173.13252	10.8
175.11205	3.1
175.14828	1.8
177.12776	13.1
179.10609	2.0
179.14322	3.5
183.06500	4.0
183.11729	3.4
185.13258	2.7
187.11166	1.7
187.14767	2.5
189.11221	5.3
189.12820	2.4
191.14346	1.7
193.12270	3.4
195.13805	14.3
197.13318	2.2
201.07709	2.3
205.12206	2.4
213.14767	3.4
215.12654	2.1
227.12798	3.4
229.14288	11.1
229.19510	2.7
235.16862	1.9
239.17975	6.6
245.13815	3.9
247.20616	6.5
253.14299	4.6
257.19003	14.4
267.15964	4.9
269.17484	44.0
271.15445	6.1
273.18481	1.9
275.20062	69.5
284.13657	2.7
285.14069	2.5
285.17270	2.2
291.19601	3.1
293.21140	7.8
309.20633	3.0
331.22803	2.1
341.14261	2.8
349.23703	78.9
350.24002	1.9
365.66309	2.2
367.24747	58.5
368.25278	2.2
391.24814	5.7
395.20633	2.3
413.21738	7.3
415.25058	2.0
431.22906	1.8
475.26273	2.4
493.28055	3.2
511.29041	7.7
513.20673	1.9
528.72675	3.6
529.21417	4.4
529.29852	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	529.1691
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
55.05492	0.8
56.96562	3.8
66.35252	0.8
67.05482	0.7
69.03426	1.4
70.06586	1.8
71.04979	1.0
71.59196	1.2
81.03409	1.8
83.04984	1.4
84.96022	2.5
85.02910	3.7
86.09720	0.7
87.95557	0.7
91.05481	1.5
97.02905	1.5
98.97584	8.1
105.06999	0.8
109.02898	1.7
109.06554	0.9
111.04421	1.0
112.99231	1.0
116.98627	7.5
119.04922	2.3
122.06051	0.9
127.03921	1.7
131.00206	2.0
131.08597	0.9
134.99646	5.5
137.02345	0.9
137.06013	1.0
143.00214	1.6
145.02956	1.1
146.06003	2.6
146.07178	0.8
146.99692	1.2
147.04407	8.0
148.04752	1.6
149.01247	2.9
151.03877	0.9
151.06273	2.4
153.00694	1.0
153.05551	1.0
157.01700	0.9
158.99660	2.7
159.11714	2.1
161.01245	1.5
173.01210	2.0
174.05470	1.7
175.02768	0.9
177.00711	5.6
185.15138	0.7
191.02252	2.2
195.01772	0.9
201.00630	0.9
203.03412	2.2
219.01781	1.9
221.05916	1.1
223.07660	1.0
233.08385	1.3
237.02832	1.8
248.12802	2.1
249.05484	1.1
251.09604	1.8
253.07495	1.1
261.02786	1.0
264.10144	1.0
266.05783	2.0
269.10648	1.1
275.09607	1.1
277.05032	1.2
278.05725	1.0
281.10703	1.3
292.09705	2.5
293.10690	4.4
294.05304	2.2
299.11618	0.9
302.08279	1.0
307.12411	1.1
309.07544	3.8
311.11725	2.1
320.09222	3.2
323.11734	2.8
325.13370	0.8
335.11591	1.8
337.07104	9.3
341.12854	2.1
353.12756	1.8
355.07968	2.7
365.12704	3.0
367.14380	1.7
383.13855	1.4
413.15152	1.4
431.15988	1.5
443.16019	3.8
451.55057	0.9
455.15753	2.2
481.14987	1.1
485.17944	6.9
499.15921	2.1
512.15167	2.6
529.16876	100.0
530.17023	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	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.1
55.05518	14.1
55.97742	1.5
56.96565	1.8
57.03437	3.8
59.27002	1.2
61.02911	2.5
64.53793	1.3
65.08482	1.3
67.05511	19.5
69.03434	2.8
69.07057	7.7
69.92019	7.0
73.92780	1.6
75.74435	1.3
79.05061	2.2
79.05491	25.8
81.03412	3.8
81.07052	19.0
83.04989	8.2
83.08606	6.6
85.02891	4.3
91.03944	1.6
91.05478	16.2
93.07050	20.8
95.04947	6.0
95.08620	7.8
97.02876	3.1
97.06528	2.7
97.10162	5.2
98.20892	2.0
105.07030	15.8
107.04957	11.2
107.08598	18.8
109.06522	2.1
109.10138	7.8
111.08064	2.1
117.07018	5.4
119.08574	9.5
121.06454	1.6
121.10164	7.1
124.64490	1.6
125.09620	5.1
126.63673	1.3
129.07010	1.8
131.08562	6.5
133.10153	6.9
135.08061	3.1
135.11682	2.1
137.05978	2.3
145.10126	4.4
147.11673	3.9
149.09631	19.9
152.68600	1.3
155.34653	1.4
159.11647	3.6
161.13251	2.8
169.10167	1.6
169.12119	1.4
171.11609	1.6
173.11787	2.0
173.13223	3.3
177.12715	1.3
183.11581	1.4
186.54224	1.7
189.11252	3.4
189.28787	1.4
209.15361	3.2
214.84392	1.4
220.56625	1.3
269.10535	1.9
275.20068	23.4
349.16974	2.8
349.23737	100.0
350.23914	2.3
354.31384	1.4
365.14886	1.6
367.17706	5.6
377.77930	1.6
480.22470	1.9
526.76056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07666	1.3
55.05518	6.2
57.03429	1.2
57.07075	27.5
63.33347	1.4
65.87912	1.1
67.05505	12.2
69.03409	1.7
69.07052	5.0
69.67155	8.3
71.08633	31.6
73.06554	6.0
79.05492	8.1
80.05840	1.9
81.03436	6.7
81.07067	8.7
83.08606	6.6
85.06487	1.4
85.10184	30.9
87.04475	4.8
89.06034	100.0
91.05476	7.6
92.05835	2.1
93.07056	6.5
95.04974	2.6
95.08588	4.2
97.10175	4.2
98.20803	1.4
99.11736	3.0
105.07045	4.6
106.07359	2.1
107.07085	4.1
107.08594	4.2
109.10177	4.1
117.07047	3.1
117.09108	5.5
119.08587	2.9
120.08897	2.4
121.10159	3.0
123.17534	1.2
125.09663	2.2
129.07004	2.9
130.08635	6.4
131.06996	1.2
131.08565	3.1
133.08601	58.3
135.10222	1.6
141.16400	3.0
143.08566	2.8
144.08864	1.6
145.10123	2.8
146.10445	1.4
147.11728	1.7
149.13335	1.2
157.10143	3.2
158.10440	1.7
159.11765	2.9
169.10149	1.9
171.11726	1.2
173.13322	1.6
177.11209	25.8
183.11743	1.8
185.13208	1.7
185.19016	6.7
198.97415	2.1
221.13803	4.1
226.21599	2.8
229.21616	14.9
239.14938	2.1
248.14043	1.3
265.61594	1.2
273.09528	1.4
273.24237	7.7
283.17459	3.2
311.25766	2.0
327.20056	2.4
345.67627	1.5
371.22906	8.1
436.32932	4.0
454.33990	3.5
472.34866	3.1
510.36816	2.4
511.38446	20.4
517.25470	1.7
528.37378	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	529.1683
Annotation	Erlangerin A
Peak:m/z	Relative Intensity
50.96888	0.7
54.20361	1.1
61.27667	0.7
70.82312	1.7
70.82649	1.1
73.53226	0.8
75.27560	0.7
77.29278	0.8
85.37524	0.7
91.09889	0.7
112.89603	4.7
166.76613	0.7
227.24794	0.8
230.76363	0.8
236.95146	0.8
240.95361	0.8
241.16803	0.9
262.51105	0.8
320.09265	1.2
352.85205	0.8
370.13318	0.9
381.08148	3.4
485.18082	6.5
497.66339	0.9
499.15628	1.5
504.66885	1.0
511.15894	3.3
529.16791	100.0
530.17310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01868	6.9
56.96554	0.6
57.03430	2.5
59.60021	0.5
60.04527	1.0
61.02915	2.7
61.55220	0.6
67.01855	0.7
69.03430	20.0
69.07074	0.8
70.06596	4.5
70.93192	1.4
71.04995	5.0
73.02921	2.6
74.09693	0.6
81.03419	31.6
81.07101	0.6
83.01344	1.1
83.05009	0.8
84.04512	2.3
85.02906	13.7
86.09686	1.0
87.05587	1.1
91.93674	0.6
95.04973	0.6
97.02892	32.5
99.04455	30.2
100.11214	0.9
101.02396	1.0
103.03922	1.7
103.05443	1.0
109.02880	91.3
111.04497	0.9
112.07628	2.7
115.03929	11.4
119.08482	0.7
120.08110	17.5
121.10001	0.6
127.03915	100.0
128.04292	1.0
130.05016	3.8
136.07532	0.6
137.06004	2.1
139.03900	4.5
140.07080	2.0
144.08040	1.1
145.04967	7.4
147.04366	0.6
147.07648	6.1
151.03780	0.7
158.08113	0.8
162.09129	1.0
164.06975	0.8
169.04973	17.5
175.14980	0.6
187.06017	52.8
190.05023	0.7
205.05145	0.9
205.07080	17.1
207.11261	3.9
211.05656	0.7
229.07054	7.9
235.10796	2.7
247.08130	36.6
261.79031	0.6
289.09164	1.8
294.14496	7.0
300.15875	1.0
303.04922	1.3
332.18027	0.7
382.17679	0.6
447.80225	0.6
453.34152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05512	7.8
57.03419	2.5
57.07051	0.9
59.04976	1.2
61.02912	2.1
67.05518	3.8
67.05811	0.8
69.03429	4.1
69.07059	2.2
70.06577	2.3
71.07381	0.7
71.08627	6.5
71.59103	1.3
72.08142	2.7
73.02908	1.1
78.80836	0.6
79.05500	3.3
81.03415	9.0
81.07061	6.0
82.06566	1.0
83.04971	5.0
83.08611	3.0
84.04501	1.0
84.08125	2.0
85.02924	3.5
85.06516	1.2
85.52893	0.7
86.06066	10.4
86.09620	0.9
91.05462	3.1
93.07029	2.8
94.06542	1.4
95.01325	1.9
95.04966	1.5
95.08595	2.8
96.08119	4.3
96.08791	0.8
97.02897	5.8
97.06550	3.9
97.10144	0.8
98.06853	0.9
98.09680	8.1
99.04447	0.7
99.08085	3.7
100.11254	9.9
101.06001	3.1
105.07024	2.4
107.04979	1.0
107.08569	1.7
108.08052	1.8
109.02844	1.6
109.06512	1.4
109.10178	0.9
110.06060	0.8
110.09656	0.8
111.04435	6.9
113.02325	1.7
114.09164	1.0
116.10726	24.3
117.06964	0.9
119.08595	2.6
121.06530	1.4
121.10191	0.9
122.06009	1.3
122.09687	1.6
123.00793	7.3
123.08060	0.8
124.07576	1.1
125.02353	11.2
126.09174	1.0
127.03907	1.9
129.05415	1.8
131.08571	0.8
133.10143	1.4
134.09608	1.0
135.08031	1.4
136.11200	1.2
137.05952	1.7
140.10718	0.9
141.01816	4.6
142.08620	5.4
142.12274	2.3
143.03427	0.7
143.08682	0.8
143.10680	5.5
145.02721	0.9
145.10074	1.2
147.04390	2.4
147.06487	1.0
149.09608	0.7
154.08694	0.9
154.15895	2.5
154.68610	0.7
155.06995	1.8
159.11690	1.2
163.03871	0.8
164.07027	0.9
164.10637	3.5
166.15955	2.2
169.01312	4.4
173.08096	1.6
177.05484	1.8
178.15875	1.9
180.13765	0.9
182.15408	6.5
190.12245	2.1
196.16974	7.2
198.14992	1.1
208.13304	5.0
209.16438	2.3
210.14954	6.0
213.17853	0.9
214.18016	100.0
215.18327	1.7
226.14383	18.6
226.19118	1.0
244.15450	61.4
273.18430	0.9
274.18756	1.8
276.72717	1.9
324.21765	4.1
326.27951	1.2
340.26105	1.0
342.22736	13.7
343.30557	1.0
348.22632	1.5
365.23282	0.9
366.23569	2.7
389.81171	2.0
430.17081	16.1
444.33768	1.0
453.34152	1.3
499.37415	0.7
510.23083	2.9
528.23767	7.1
553.75433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3735
Annotation	Fomlactone A
Peak:m/z	Relative Intensity
53.03944	2.6
55.05516	12.1
57.03433	3.6
57.07089	2.0
65.03932	2.2
67.05502	22.7
69.07065	9.4
71.04974	2.4
71.58601	2.3
76.35254	1.3
79.05498	16.3
81.03436	4.2
81.06590	1.3
81.07062	23.0
81.90305	1.3
83.04967	2.8
83.08613	6.1
85.02927	2.0
85.06580	1.7
91.05501	14.4
93.07037	13.4
95.04986	3.7
95.08605	14.2
95.30770	1.2
97.06541	2.3
97.10181	4.0
105.07029	13.4
107.08593	9.0
109.10172	6.8
113.69921	1.6
115.05440	1.5
117.07005	8.2
119.08588	10.6
121.10152	6.0
125.09633	4.4
128.06248	1.7
129.06989	8.0
131.08588	13.7
133.10117	6.9
135.11688	3.3
137.09616	1.8
141.07033	2.8
142.07785	2.2
143.08569	8.7
145.10100	10.9
147.11743	3.7
155.08606	6.6
157.10127	13.0
159.11723	7.6
167.08711	1.8
169.10141	9.3
171.11649	9.1
173.13306	3.9
181.10139	3.3
183.11743	6.0
185.13272	5.0
187.14941	1.7
195.00337	2.3
195.11739	4.7
197.13269	6.9
199.14876	4.0
207.11868	1.4
209.13248	2.1
211.14847	2.4
221.13292	1.9
223.14745	2.0
225.16606	1.8
227.17928	1.6
237.16490	2.5
259.20566	2.4
264.23895	1.5
315.22885	1.8
323.23743	2.9
337.25153	2.0
417.31537	3.7
435.32608	10.8
453.33786	7.1
471.34720	3.4
491.35153	2.6
509.36380	7.6
527.37347	100.0
528.37640	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01862	1.5
55.05510	10.8
57.03418	2.9
57.07064	0.9
61.66869	0.7
65.03948	1.6
65.13358	0.8
67.05173	1.2
67.05505	20.7
69.07069	7.8
71.58459	0.6
71.58879	1.0
71.92418	0.8
79.05492	15.6
81.03401	1.4
81.07063	18.8
83.08617	6.0
85.06512	1.2
86.55502	0.7
91.04961	1.4
91.05480	16.9
93.07043	14.4
95.04948	2.3
95.08049	1.1
95.08611	12.5
97.06539	2.5
97.10169	2.7
97.47354	0.8
105.07034	13.3
107.08590	9.1
109.06551	0.8
109.10125	6.7
111.08099	1.8
115.05498	0.8
116.47886	0.9
117.07028	9.9
119.08586	9.2
121.10136	6.1
123.08057	1.0
125.09589	1.5
128.06218	3.1
129.07013	9.7
130.07796	1.0
131.08577	14.6
133.10114	7.3
135.11728	2.9
141.07005	2.6
142.07787	2.3
143.08574	14.3
145.10126	13.7
147.07953	1.0
147.11700	4.4
149.13277	2.6
153.06975	1.2
155.08560	10.0
156.09354	1.2
157.10130	12.0
159.11678	8.7
161.09653	1.0
161.13239	1.6
163.11208	1.0
167.08582	2.6
168.09377	1.0
169.10118	10.0
171.11662	10.0
171.12949	1.1
173.13251	6.1
175.14799	0.8
179.08565	1.1
181.10104	5.8
183.11687	9.7
185.13266	6.6
187.14833	2.7
193.10191	0.9
195.11664	6.0
197.13303	6.2
198.97495	1.1
199.14774	4.9
207.11710	1.7
209.13309	3.7
211.14836	3.6
213.16420	1.7
215.14388	0.9
221.13162	1.8
223.14810	3.3
225.16354	2.3
235.14828	1.9
237.16391	2.1
239.17976	1.8
242.97220	0.8
251.18144	1.1
256.26443	1.4
283.20706	1.4
295.20660	1.0
297.22079	1.3
309.22195	1.3
311.23584	1.4
315.23212	1.1
321.22009	1.1
327.23474	1.4
337.25116	1.2
341.24683	0.9
353.24643	1.0
399.30301	1.0
417.31677	4.8
435.32568	15.1
453.33627	6.2
471.34921	1.1
473.34149	1.8
491.35590	1.7
509.36200	10.0
527.37280	100.0
528.37543	3.2
545.44366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01879	0.9
55.05510	9.8
57.03426	2.7
57.07066	1.1
59.04994	0.6
65.03941	1.5
67.05505	17.6
68.74345	0.6
69.07068	7.8
71.04987	1.8
71.21167	1.5
71.21507	0.9
79.05494	12.6
81.03413	1.4
81.07054	15.2
83.04974	1.7
83.08612	4.3
85.06547	1.1
91.05486	13.1
93.07041	13.6
94.70073	0.6
95.04965	2.6
95.08054	0.9
95.08613	11.8
97.06525	1.4
97.10162	2.4
105.06377	1.2
105.07028	13.3
107.08598	7.8
109.06541	0.7
109.10146	5.6
111.08078	1.3
115.05415	0.8
117.07012	8.6
119.08589	9.7
121.10133	5.1
123.08092	1.1
123.11700	1.1
125.09605	1.5
128.06227	2.1
129.06998	9.6
131.08562	14.2
133.10135	7.1
135.11658	3.3
137.09654	1.1
139.11191	0.7
141.07034	2.9
142.07771	2.5
143.08559	13.4
144.09337	0.8
145.10117	11.1
147.11688	3.5
149.09531	0.6
149.13264	1.9
153.07092	0.8
155.08540	7.9
156.09348	1.3
157.10132	11.4
159.11691	8.0
161.13243	1.3
163.04314	0.6
163.14917	0.7
167.08611	2.1
168.09297	0.9
169.10115	8.9
171.11690	11.6
173.13264	4.8
175.14789	1.2
177.34848	0.6
179.08536	1.5
181.10135	4.5
182.10936	1.1
183.11702	9.3
185.13269	6.7
187.14856	2.1
193.10205	1.2
195.11703	4.3
197.13260	6.4
199.14870	3.1
201.16316	1.1
207.11787	1.4
209.13286	3.8
211.14787	3.3
213.16423	2.2
219.11638	0.8
221.13277	2.2
223.14812	3.4
225.16444	1.9
235.14786	1.2
237.16418	1.6
239.17978	1.1
251.17973	1.3
259.20621	1.3
263.17963	0.8
269.18970	1.1
281.19031	0.7
283.20731	1.3
295.20377	0.8
297.21976	0.9
305.22549	0.7
309.22144	1.4
311.23737	1.5
313.21741	0.9
315.23209	0.8
323.23465	1.6
325.25342	0.8
335.23642	0.9
339.23297	1.1
341.24759	0.8
349.25064	0.7
351.26801	0.9
365.24753	0.8
417.31345	5.0
435.32642	14.4
453.28525	0.7
453.33780	6.4
459.47217	0.6
471.34818	1.7
473.34262	1.2
474.06839	0.9
491.35196	1.5
509.36224	10.3
527.37292	100.0
528.37677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	18.7
55.01872	31.7
55.05514	40.0
56.67568	5.4
57.03437	16.0
61.02916	16.6
67.05508	85.1
67.81771	5.7
69.03419	31.9
69.07069	36.9
69.47557	50.4
71.01349	8.4
71.04996	19.0
73.02905	10.0
73.68134	5.7
79.05488	81.1
81.03443	36.8
81.07063	91.0
83.04984	63.9
83.08626	11.4
85.02879	42.5
85.06541	18.3
91.05474	60.1
93.07045	69.7
95.04977	27.0
95.08609	44.4
97.02895	14.7
97.06532	100.0
97.10178	8.9
98.06853	13.5
99.04457	25.4
99.08096	12.9
105.07047	38.9
107.04957	48.5
107.08594	48.6
109.02849	14.1
109.06525	17.6
109.10155	28.2
111.04466	61.9
111.08089	29.2
117.07032	31.5
119.04967	8.5
119.08574	39.9
119.17879	5.8
121.10132	53.0
122.06029	9.5
123.04458	6.7
123.08086	6.2
123.11742	7.3
125.05976	9.4
125.09605	9.7
127.03941	21.2
127.07557	6.8
129.06975	7.4
129.74152	7.0
130.07791	6.3
131.08586	22.6
133.10167	11.7
135.08102	9.6
135.11694	44.9
137.05978	35.1
138.06317	10.3
143.08519	13.4
145.06493	8.9
145.10092	47.1
147.04395	8.2
147.07996	11.9
147.11688	14.5
149.09608	21.2
153.12764	36.8
155.08534	9.2
157.10161	7.6
159.11646	8.5
161.09665	8.7
161.13335	9.2
163.11165	71.5
171.11755	7.2
173.09599	28.8
177.05409	7.7
181.12230	42.5
183.11620	6.9
187.06062	7.0
191.10660	50.4
209.11766	25.3
215.19978	6.2
227.12790	69.7
233.11716	41.5
234.12091	48.1
265.14359	69.7
273.18488	21.2
283.15408	62.6
301.16348	7.8
325.72861	6.5
330.17929	17.7
347.22162	11.1
348.19247	10.4
365.23068	19.3
386.26242	9.7
386.36240	6.4
473.25424	8.1
491.26117	23.1
509.27115	16.2
527.27527	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67892	2.0
53.03944	6.7
53.08267	1.7
55.01866	8.1
55.05510	27.7
57.03436	25.9
61.02931	18.1
65.03923	3.1
67.05503	42.5
69.03425	24.9
69.07067	23.7
71.01411	6.8
71.04988	5.9
73.02903	10.0
79.05495	33.5
80.38123	1.7
81.03414	28.9
81.07060	37.3
83.04980	10.7
83.08617	11.8
85.02911	27.3
85.06542	5.1
85.69913	1.9
91.03943	8.3
91.05479	26.2
93.07039	26.5
95.04990	13.0
95.08600	18.2
97.02895	21.5
97.06543	13.5
97.10178	12.9
99.04459	7.0
99.08052	2.9
101.02379	6.0
103.03906	4.3
105.07033	23.8
107.04968	8.6
107.08597	22.1
109.02835	10.4
109.06488	14.1
109.10133	13.7
111.04450	4.0
111.08112	4.5
112.93259	1.8
113.05987	4.2
115.03895	2.5
115.07551	4.7
117.07040	8.6
119.04916	2.5
119.08557	16.9
121.06493	6.9
121.10131	12.7
122.06071	2.4
123.04461	3.1
123.08058	6.5
123.11716	2.9
125.09618	13.3
127.03918	15.0
127.07556	14.5
129.05489	2.7
129.06990	6.5
131.08575	15.3
133.06406	3.1
133.10139	11.3
135.08038	7.3
135.11690	5.3
137.05952	2.5
137.09602	3.7
139.07497	2.9
141.06903	2.0
143.08545	5.1
145.04938	2.7
145.10086	13.0
147.04399	5.0
147.08025	5.3
147.11670	6.5
149.09625	5.9
149.13278	4.4
151.03740	2.1
151.07576	3.2
153.09041	3.0
155.08612	2.9
157.10130	3.6
159.08002	2.1
159.11653	4.1
161.09621	4.4
163.11171	4.6
165.09209	2.2
165.12679	2.7
166.08626	2.4
171.11668	2.0
173.04486	2.1
173.09654	2.2
173.11722	3.2
173.13220	2.9
175.11227	5.8
177.05513	2.3
177.09145	1.6
177.12762	3.5
184.07246	2.0
185.13330	2.6
189.11214	8.7
191.10596	2.4
193.12212	3.4
195.13788	2.9
199.11160	3.6
201.07431	2.2
201.16475	1.6
209.11653	2.5
211.13293	7.2
217.15875	2.7
219.13483	1.9
223.13263	11.6
227.12767	6.5
233.11748	2.1
235.13344	3.0
235.16927	5.0
245.19063	2.3
249.14937	4.2
267.15842	2.7
269.17438	7.1
273.18524	24.0
291.19547	100.0
347.22101	11.0
365.23215	38.3
450.78082	2.0
473.25339	2.8
495.16379	6.1
509.27374	8.7
527.21655	23.3
527.28595	29.9
527.72253	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.8
55.01868	8.8
55.05514	26.0
57.03433	28.0
59.09303	3.9
61.02937	28.7
65.03946	4.0
67.05506	74.3
69.03432	39.7
69.07056	18.5
70.72729	10.1
70.73080	7.6
71.04974	13.7
73.02910	18.0
79.05502	54.8
81.03417	49.3
81.07060	86.6
83.04993	23.1
83.08630	7.9
85.02902	50.9
85.06548	7.3
91.03945	17.2
91.05485	75.8
93.07052	48.5
95.04984	23.0
95.08617	36.3
97.02903	34.6
97.06531	9.9
97.10204	7.3
99.04446	16.2
99.08086	7.3
101.02373	9.1
103.03941	7.2
105.07034	63.8
107.04958	14.2
107.08598	50.7
109.02869	12.3
109.06522	17.5
109.10161	56.6
111.04430	8.7
111.07999	5.5
117.07023	12.1
119.08588	21.7
121.10164	12.8
123.04482	7.9
123.08092	10.1
123.11702	11.7
125.09630	4.7
127.03886	20.8
129.05455	6.0
129.07004	7.8
131.08560	19.9
133.06490	14.3
133.10139	100.0
135.08047	18.3
135.11656	7.5
137.05998	8.4
137.09570	5.9
143.08545	10.7
145.04977	9.2
145.10150	13.7
147.08025	6.2
147.11719	10.1
149.09616	17.2
151.11180	63.7
157.10156	6.9
159.08040	6.8
159.11713	5.0
161.09647	11.8
169.10110	5.4
169.12248	20.2
171.08089	4.9
171.11636	6.1
177.09073	6.5
183.06493	5.8
215.12750	15.6
245.19225	4.7
253.14323	42.9
255.17332	6.8
267.16125	6.3
269.13879	10.8
271.15356	6.3
273.18433	32.9
291.19458	25.7
293.98837	4.7
347.22128	23.3
365.23294	48.7
509.28250	6.6
527.20673	4.6
527.28412	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.2
55.01863	13.3
55.05516	24.7
57.03439	32.8
57.07068	3.8
59.04999	3.8
61.02934	36.8
65.03941	5.3
67.05171	5.3
67.05506	75.1
69.03127	4.0
69.03438	37.7
69.07066	18.8
71.01347	3.7
71.04987	11.0
71.58949	5.6
73.02917	21.8
74.15781	4.1
79.05494	65.5
81.03420	50.7
81.07063	86.5
83.04976	31.2
83.08614	13.9
85.02905	48.6
85.06538	7.0
87.04457	4.1
91.03973	16.7
91.05488	82.1
93.07049	66.2
95.04965	27.7
95.08612	35.5
97.02896	45.8
97.06526	14.4
97.10151	8.2
99.04481	15.9
101.02389	8.7
103.03952	6.8
103.05446	3.3
105.06388	6.0
105.07038	65.1
107.04972	24.1
107.08601	50.1
108.53054	3.2
109.02879	17.0
109.06504	9.9
109.10157	59.5
111.04449	3.7
111.08080	9.2
115.03967	4.8
115.05489	3.4
117.07013	22.3
119.08569	28.2
121.06509	13.5
121.10164	18.0
122.06086	4.1
123.04413	7.4
123.08060	9.6
123.11686	9.5
125.09686	7.6
127.03924	26.6
128.06189	5.3
129.05516	5.4
129.06979	11.3
131.08589	33.2
133.06467	15.7
133.10139	83.1
133.11092	6.8
135.08075	22.9
135.11705	10.1
137.06012	11.2
137.09625	6.2
143.08563	12.8
145.05026	4.3
145.06535	2.9
145.10124	17.3
147.08067	11.2
147.11661	9.3
149.09637	33.9
151.11180	48.0
155.08511	4.5
157.10149	7.8
159.08034	8.1
159.11575	5.1
161.09621	14.1
161.13339	6.5
163.07498	3.9
163.11189	8.5
167.07011	3.4
169.10156	4.5
169.12236	13.8
171.11670	4.9
173.04524	5.4
173.09636	5.7
173.11803	6.4
175.11220	9.8
177.09119	13.4
179.10590	3.9
183.06473	3.9
191.10631	3.3
193.12270	7.5
199.11334	4.4
209.11678	3.5
215.11006	3.5
215.12796	15.1
224.92062	3.5
227.17839	5.0
245.18959	5.2
251.12721	4.0
253.14297	35.6
255.17601	5.3
263.20178	4.9
267.15930	6.2
269.13867	15.4
270.18405	4.1
271.15414	10.3
273.18475	53.3
285.16919	5.3
291.19528	33.1
303.04910	4.3
309.20709	6.0
315.19595	6.3
347.22189	27.1
365.23236	100.0
383.24127	4.4
389.23312	8.7
393.22446	3.6
397.18643	5.4
434.38620	4.1
491.26501	4.3
495.16522	6.6
509.28076	10.0
527.19574	8.7
527.28394	29.4
527.35083	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	526.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	68.7
67.05480	2.5
69.07059	8.1
70.77430	4.1
70.77757	4.8
71.08637	56.3
73.06544	3.6
73.89049	2.3
81.07036	2.6
82.87418	2.1
83.08639	3.4
85.10186	36.6
87.04499	2.9
89.06039	100.0
97.10223	3.4
99.11748	7.7
107.07055	5.0
111.11719	5.1
113.13297	6.6
113.48626	2.5
117.09140	3.3
127.14789	3.7
130.08662	6.5
133.08609	76.2
158.84344	2.3
168.17531	2.7
175.36284	2.4
177.11241	30.1
221.13826	8.2
239.14899	4.3
271.26437	7.0
283.17496	6.5
315.28995	9.0
327.20096	30.3
353.32855	2.5
465.37726	3.0
509.40536	42.3
525.01904	2.7
526.42908	3.6
527.36670	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	526.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10325	0.5
53.03928	0.7
55.01856	2.1
55.05499	1.4
57.03434	2.7
61.02907	0.7
67.05495	2.8
68.32524	0.5
69.03438	1.3
69.07070	7.4
70.16366	0.5
71.58496	0.9
79.05490	7.2
81.03409	2.1
81.07054	2.9
83.04969	0.6
83.08584	0.7
85.02900	3.4
85.30295	0.5
91.05482	6.8
93.07035	1.9
95.04956	1.7
95.08610	1.0
97.02876	0.7
97.06532	68.3
97.10126	0.6
99.08098	0.8
102.35777	0.5
103.03859	0.5
104.27390	0.5
105.07003	1.3
107.04932	1.8
107.08586	0.8
109.06512	0.7
109.10126	0.6
110.09650	0.5
117.06966	0.8
119.04948	4.3
119.08633	0.7
121.06525	0.7
121.10103	0.6
122.06086	0.8
130.16777	0.6
131.04974	0.6
131.08578	1.1
133.06447	1.2
133.10078	0.7
134.66473	0.6
135.04413	1.3
136.07617	0.6
137.05975	40.0
137.10474	0.6
138.81665	0.5
141.07022	0.6
143.08542	0.8
145.06519	0.6
145.10095	0.7
147.03372	0.6
147.04414	3.0
147.08076	0.8
149.05978	1.2
149.09627	0.7
157.06453	0.5
157.10139	0.9
159.08098	0.6
159.11726	0.6
161.05988	1.1
163.07558	0.8
166.08640	0.9
169.06593	0.5
169.10208	0.9
171.08087	0.7
173.06030	1.0
177.05476	1.7
177.07854	0.9
181.06596	0.6
183.08073	0.6
185.09599	1.8
187.07474	0.8
189.09077	6.1
191.06883	0.5
197.09598	1.1
199.07579	0.9
201.09036	1.3
203.10777	0.6
205.12222	0.9
206.11746	2.4
211.11227	0.9
213.09079	2.4
215.10716	6.3
229.12178	1.4
233.11722	100.0
234.11971	1.7
241.12256	0.7
243.10295	0.8
250.14336	0.9
267.13766	0.7
285.14883	2.9
301.17987	1.3
311.16431	4.4
329.17474	17.3
347.18582	4.3
365.08426	1.7
423.73822	0.6
526.25171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39574	3.2
53.03948	6.7
55.01859	4.6
55.05513	26.5
57.03433	3.6
57.07071	14.1
60.88618	3.4
61.02942	6.0
63.58469	3.4
65.03929	3.6
65.90837	3.7
67.05508	32.8
68.99744	2.9
69.03438	19.4
69.07069	39.4
69.91685	11.3
70.06583	8.0
71.04995	6.5
73.02901	3.4
79.05489	19.0
81.03410	15.8
81.07061	100.0
83.04987	8.5
83.08625	24.5
84.08140	4.0
85.02910	30.1
85.06548	64.6
86.09698	8.5
91.03956	6.1
91.05476	25.1
93.07049	43.3
95.04947	8.4
95.08605	61.6
97.02882	11.1
97.06523	16.9
97.10165	9.7
98.97632	3.8
99.04460	6.4
99.08100	23.8
100.07619	6.0
100.11271	15.4
105.07035	18.1
107.04959	5.9
107.08594	42.7
109.02849	6.7
109.06506	6.7
109.10156	51.3
111.08075	9.5
111.11722	5.1
113.09640	5.2
116.98618	3.4
119.04944	6.2
119.08591	12.6
120.08131	3.9
121.06523	4.0
121.10140	27.9
123.00790	7.1
123.08095	5.9
123.11698	31.8
125.02338	3.9
125.09634	17.3
125.13274	4.2
127.03936	9.4
127.11205	10.6
128.07111	3.5
131.08601	7.1
133.06490	4.7
133.10089	17.1
135.04420	3.8
135.08075	3.3
135.11707	15.2
135.75911	3.7
137.05992	44.4
137.13261	19.0
138.09088	4.1
139.11186	15.3
141.01886	4.6
145.04912	4.2
145.10123	5.3
147.04459	8.9
147.08061	4.6
147.11676	8.6
149.12151	5.6
149.13251	45.7
151.03925	3.9
151.14851	4.4
153.12720	6.2
157.10147	6.5
159.07993	5.2
161.06021	4.2
163.07425	4.6
163.14825	12.9
165.09126	3.4
165.12782	3.6
167.14308	20.3
169.01350	12.1
169.12212	3.9
171.13765	28.2
175.07507	3.1
177.05498	4.3
177.16350	4.2
182.15465	8.6
187.07504	6.2
187.11145	4.8
189.09154	5.2
202.59499	3.1
210.14885	8.9
217.19624	3.6
233.11720	14.1
273.25989	6.3
279.26791	10.7
283.08215	3.3
291.26840	54.8
297.27878	22.0
309.27893	46.0
318.05853	3.4
327.28897	27.7
329.17444	12.0
329.39255	3.5
345.30042	16.4
346.20163	4.5
364.21210	53.1
488.60168	3.7
508.24701	4.2
525.23749	3.3
526.26349	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	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05503	18.4
57.03428	9.6
57.07074	10.4
65.79539	4.6
67.05498	35.4
68.05812	5.6
69.03415	20.1
69.07063	55.9
69.51929	44.3
71.04990	8.0
79.05483	21.7
81.03416	11.8
81.07056	100.0
83.04988	9.2
83.08612	21.4
85.02905	21.0
85.06550	23.9
91.05487	27.4
93.07045	38.0
95.04980	11.0
95.08615	63.7
97.02901	12.3
97.06519	16.3
97.10143	10.5
98.20750	10.1
99.08092	11.4
105.07021	17.7
107.04950	13.0
107.08614	38.5
109.02888	8.8
109.06537	11.9
109.10173	38.8
111.04411	7.7
111.08073	20.0
111.11720	14.6
114.40697	4.8
115.05449	5.3
117.07034	6.6
119.08563	19.6
121.06461	9.0
121.10127	18.4
123.00666	7.0
123.11720	34.0
125.09653	8.0
127.03943	8.4
131.08572	9.9
133.10133	15.5
135.11691	13.2
137.05934	19.4
137.13246	19.8
143.08583	5.4
145.10136	7.3
149.05962	5.1
149.13284	24.4
151.03909	5.2
153.12746	16.1
157.10057	5.1
159.11699	7.1
161.13353	5.4
163.11150	6.3
163.14790	8.4
167.06984	5.2
167.14223	5.7
169.01326	9.4
171.08136	5.9
171.13751	5.8
173.15417	7.9
177.05504	6.5
189.09001	6.0
191.10541	5.2
191.29163	4.5
201.16464	5.0
203.17799	5.6
209.11832	6.7
216.16716	4.5
233.11710	13.4
241.39832	5.2
291.26794	17.9
309.27887	49.6
327.28915	13.9
345.29938	11.8
451.10687	4.7
525.23114	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05497	0.6
55.26416	0.4
56.05026	1.0
57.03437	0.7
57.07076	3.7
58.06605	1.3
59.07386	0.5
60.08162	16.6
62.85340	0.3
67.05505	0.9
69.07056	0.8
69.46506	2.9
71.07376	6.8
71.08630	2.1
75.81260	0.4
81.03417	0.7
81.07050	1.3
83.08641	0.4
85.10178	1.2
86.09705	48.9
95.08600	1.3
98.98466	4.5
104.10744	100.0
105.11089	0.4
109.10162	0.5
125.00007	28.2
143.01016	0.5
148.29741	0.4
163.01497	0.6
181.02522	0.6
184.07343	96.1
216.69542	0.4
258.11008	1.0
268.16391	0.5
314.27750	0.9
323.21548	0.5
341.30441	1.2
447.28610	0.5
506.35944	8.2
507.35660	0.5
524.37128	45.3
525.37433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1216
Annotation	5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside
Peak:m/z	Relative Intensity
53.03925	0.5
55.01836	0.4
55.05476	1.0
57.03411	0.7
57.07031	0.3
61.02895	0.8
67.05465	1.2
69.03433	2.9
69.07024	1.1
69.59364	2.2
69.93507	0.3
71.04953	0.6
73.02901	0.3
79.05467	1.1
81.01708	0.3
81.03419	2.1
81.07066	1.8
83.04942	0.8
83.08598	0.6
85.02908	5.1
85.06504	0.8
85.07008	0.3
85.78912	0.3
87.00803	0.3
87.04432	0.5
91.05437	1.1
93.07063	1.3
95.04929	0.7
95.08569	1.2
97.02913	2.0
97.06496	1.2
97.10152	0.3
99.04439	0.7
99.08069	0.9
100.11233	0.5
105.01866	0.3
105.06992	1.1
107.04913	0.5
107.08566	1.0
109.02829	1.2
109.10124	0.8
117.06982	0.3
119.08534	0.9
121.06486	0.4
121.10094	0.7
122.06036	0.3
123.04376	0.3
125.09573	0.5
127.03905	1.7
129.07010	0.4
131.08543	0.5
133.10039	0.6
135.11673	0.5
136.07579	0.3
137.05962	0.6
145.02802	0.5
145.04926	0.5
145.10056	0.6
147.11600	0.6
149.05920	0.4
149.09627	0.4
149.13092	0.3
157.10146	0.5
161.09622	0.4
163.11169	0.7
177.05540	1.4
184.07312	0.4
189.08833	0.3
202.07745	1.0
211.13249	0.5
212.15027	0.3
217.10088	0.4
221.04584	0.3
224.02991	0.4
227.08508	0.4
227.12657	0.3
231.08015	0.8
233.09680	1.0
233.11751	0.5
235.05754	1.1
241.07341	0.4
243.08023	0.5
245.04184	0.4
245.09521	1.4
247.07547	2.5
247.11389	0.3
255.08070	1.1
256.08820	0.3
257.05936	3.1
257.09534	0.8
258.06769	8.6
259.07559	8.4
259.20572	1.3
261.09183	0.4
263.05255	15.6
269.05698	0.3
271.07550	0.8
273.03760	4.3
273.09067	4.9
274.04413	0.9
277.08618	1.1
282.06912	0.3
283.07669	0.5
283.15350	0.5
284.08310	1.6
285.09442	0.5
286.06256	1.6
287.07358	1.6
289.06842	2.9
289.09058	0.9
290.04013	0.3
291.04745	59.7
292.05054	1.4
298.04498	0.3
299.05524	0.4
300.05927	0.6
301.03140	0.4
301.08578	0.9
303.04642	1.4
316.05353	0.4
317.06320	12.9
319.04257	10.9
319.08035	0.7
320.04782	0.6
329.08063	0.5
333.05826	0.7
345.05756	3.9
363.06857	100.0
364.07138	1.8
405.07916	0.9
431.18439	0.5
436.21140	0.4
448.21240	0.7
471.08716	0.4
475.26694	0.4
476.21118	0.6
481.24274	0.3
493.22580	0.4
507.11127	0.7
507.29672	0.6
525.12195	15.7
525.25104	4.7
526.12201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	40.5
57.03426	8.0
59.77040	3.2
67.05507	6.5
69.03429	15.9
69.07056	3.7
70.06586	4.1
71.04991	12.5
71.58820	4.6
73.02938	4.4
79.05505	10.8
81.03413	10.7
81.07061	7.2
83.04975	31.4
85.02912	34.4
87.00829	8.7
87.04468	24.6
91.05469	9.2
93.07041	15.0
94.36962	3.2
95.04975	9.8
95.08609	12.2
95.63947	3.3
97.02892	14.4
97.06494	6.5
99.04449	10.0
105.01863	11.6
105.07043	18.2
107.04910	4.0
107.08580	21.3
109.02878	10.4
109.06514	7.5
109.10165	11.4
111.08080	7.4
115.03962	6.8
117.06974	5.0
119.08570	22.2
121.06495	14.1
121.10134	21.7
122.02731	4.7
123.04456	4.9
123.08080	19.8
125.09625	5.1
127.03925	21.8
127.11168	4.8
131.08557	6.1
133.10152	4.7
135.08041	7.0
135.11633	16.6
136.07607	3.9
137.05962	7.2
137.09598	27.5
141.09113	10.6
145.04974	9.6
145.10139	10.7
147.04420	4.0
147.08040	9.0
149.09628	72.3
149.13242	4.6
151.07507	8.2
151.11125	3.6
153.09134	9.3
155.10695	6.2
159.11678	16.4
161.09546	5.0
163.03954	5.7
163.11179	17.2
165.09105	60.8
167.07034	6.2
177.12733	25.4
179.10677	10.4
181.08560	4.8
181.12289	13.9
183.10229	4.3
187.11218	7.4
189.09091	5.6
189.12750	6.5
193.35881	3.4
195.13902	6.0
205.12321	17.0
223.13303	75.7
241.14384	100.0
259.15430	21.4
302.61472	4.0
359.14783	4.4
371.14948	5.4
448.09058	4.3
506.16440	5.1
524.17419	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	523.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05464	5.2
54.78049	5.0
55.05512	61.7
57.03434	21.5
57.07061	13.5
65.03931	6.8
67.05503	67.3
69.03423	10.8
69.07069	19.2
69.37641	38.2
69.38080	17.9
71.08633	6.9
79.05495	51.0
80.28101	5.0
81.03405	7.4
81.07056	69.6
83.05008	6.7
83.08608	36.6
86.87679	4.7
91.05469	21.7
91.14759	6.1
93.07054	46.2
95.04955	4.8
95.08603	47.5
97.10175	81.1
98.21526	10.0
105.07007	15.8
107.08592	49.5
109.10143	30.4
117.06985	9.1
119.08604	18.0
121.10133	23.4
123.11736	10.9
125.09635	71.0
131.08556	17.3
133.10100	7.9
135.11687	9.4
145.10138	10.1
147.11708	13.1
149.13261	9.7
153.09088	6.0
154.94212	8.9
159.11694	11.0
161.13229	7.5
163.14911	5.8
172.95229	31.7
173.13339	9.5
189.11240	64.5
190.96288	21.9
210.97719	28.1
227.12779	67.1
228.97836	11.5
243.21097	13.0
245.13858	100.0
261.22168	47.9
267.15924	9.1
279.23187	8.5
313.27396	10.5
317.24805	7.6
335.25806	76.7
467.20926	8.3
487.34253	11.4
499.84296	6.4
505.34869	32.2
523.23828	27.1
523.36639	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	524.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46437	0.4
55.01882	0.6
59.10379	0.4
66.04724	0.4
69.03421	1.4
69.48137	3.9
71.04983	0.6
75.12962	0.4
78.04722	1.3
79.05492	1.2
81.03415	0.8
81.07057	1.0
85.02903	1.7
85.06564	0.5
91.05488	3.9
93.07031	0.9
94.04184	1.7
95.04965	1.4
97.02868	0.8
98.20747	1.0
103.05460	10.5
105.07030	1.1
106.04173	1.0
107.04973	1.9
109.06494	1.7
111.08088	0.5
112.40395	0.4
115.05466	1.6
117.07014	2.8
119.04961	0.8
121.06525	0.5
122.03658	4.6
123.02684	0.6
123.04424	4.5
124.05227	1.9
127.07560	0.5
131.04929	25.4
133.02841	1.4
133.06483	0.9
136.07579	0.8
137.05978	65.8
138.06384	0.6
139.11153	3.7
145.06476	4.6
147.08043	1.2
149.05962	0.4
151.02110	1.8
151.03903	0.9
151.07512	0.9
152.04720	0.9
153.05504	0.6
155.07065	0.6
156.05760	0.6
157.06491	0.7
161.05991	1.3
163.07544	57.1
164.06984	0.5
165.05528	1.6
166.06270	0.7
167.07040	100.0
168.07370	0.9
173.05988	5.0
175.07596	2.7
177.05492	1.9
177.09105	7.2
179.01633	1.2
179.06985	3.0
181.03241	0.7
181.08656	0.6
181.12245	0.8
187.07506	0.4
189.09079	1.3
190.06265	0.5
191.07115	0.7
191.71919	0.4
193.08572	2.9
197.08075	1.9
203.07027	2.2
203.10625	0.7
205.08600	7.6
207.06544	9.1
207.10106	1.8
209.08064	2.4
213.05771	1.1
213.09113	0.8
214.65649	0.6
217.08600	1.9
219.10207	0.7
225.07570	7.4
231.10172	1.3
233.11787	0.8
235.09668	2.6
241.14363	2.2
253.10736	9.3
261.11240	1.0
287.05441	4.9
288.05872	0.6
300.09076	0.8
304.96466	0.6
317.06464	0.5
327.07455	1.1
367.15460	4.6
369.08551	0.8
385.16409	5.1
393.08478	0.7
401.34048	0.6
403.17429	1.4
488.17053	0.6
506.18118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01881	2.6
55.05511	61.5
57.03436	12.8
57.07066	6.7
58.99143	2.3
64.09579	2.1
65.03939	2.7
67.05502	74.9
69.03421	7.4
69.07066	17.1
79.05491	49.9
81.03407	5.5
81.07054	71.2
83.04962	4.6
83.08621	44.1
84.06155	2.3
91.05476	22.3
93.07042	49.3
95.04935	6.6
95.08608	47.6
97.10172	75.5
98.20713	6.1
102.89010	2.1
105.07008	14.9
107.08597	45.4
109.10162	25.8
111.08091	2.5
113.09639	2.6
117.07003	7.7
119.08569	15.8
121.10149	15.2
123.08056	2.6
123.11692	10.3
125.09630	71.0
131.08563	11.4
133.10129	9.5
135.08031	10.1
135.11665	16.4
137.13249	5.1
143.10722	3.8
145.10138	11.7
147.11682	6.6
149.13280	9.3
153.09148	6.8
154.94138	5.3
159.11674	12.5
161.13261	6.8
161.28381	2.4
163.14857	6.5
171.10132	6.0
171.92819	2.3
172.95270	16.3
173.13264	10.7
175.14827	2.7
187.14940	3.6
189.11220	75.4
190.96298	9.2
193.12134	2.6
195.96854	3.4
210.97653	9.6
227.10493	4.0
227.12782	71.9
228.97853	4.1
233.22423	3.7
243.21155	12.0
245.13861	100.0
246.14168	2.5
246.98827	2.9
261.22137	55.2
267.15948	5.8
279.23178	7.3
313.27286	5.9
317.24841	14.1
335.25806	67.5
353.26767	3.8
377.28015	2.6
391.20715	2.6
413.30438	3.5
431.31699	5.4
467.20712	3.5
487.34155	10.0
505.35059	35.5
523.23456	9.4
523.35828	12.4
539.25824	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	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30789	1.2
53.03942	1.7
55.01870	1.8
55.05274	1.1
55.05518	18.9
57.03430	2.5
57.07079	7.0
57.47132	1.1
58.50982	1.0
59.04999	2.7
61.02914	2.4
65.03955	1.4
67.05511	24.1
67.36507	1.1
69.03432	7.0
69.07073	46.7
69.81850	5.0
69.82269	2.9
71.05003	8.9
71.08630	2.7
73.02920	1.6
73.06540	2.1
75.29496	1.2
75.79515	1.1
79.05501	14.8
81.03423	3.9
81.07063	100.0
82.07358	1.2
83.04976	14.1
83.08626	15.5
85.02912	13.1
85.06564	11.5
87.04474	1.8
91.05482	11.5
93.07049	52.8
95.04993	13.1
95.08613	69.1
97.02895	4.4
97.06512	8.4
97.10184	7.2
98.20874	2.8
98.97645	1.4
99.04468	2.9
99.08121	6.2
104.47159	1.3
105.07033	17.5
107.04925	2.2
107.08607	35.0
109.02882	2.7
109.06544	7.1
109.10155	45.8
111.08087	10.5
111.11718	8.7
113.05965	1.4
113.09641	2.1
115.07503	1.3
117.07005	1.6
119.08596	16.4
121.06519	1.8
121.10153	30.1
121.11028	1.8
123.08109	1.7
123.11721	40.1
125.09622	4.8
127.03917	4.6
127.11195	4.1
129.15047	1.2
131.08574	3.3
133.10133	11.5
135.08054	1.8
135.11703	26.2
137.05986	2.4
137.09604	1.9
137.12314	1.9
137.13268	17.9
139.11147	6.4
141.12766	1.3
145.10101	6.7
147.04395	1.5
147.11691	13.1
147.73653	1.4
149.13266	12.3
150.05533	1.2
151.11203	3.7
151.14842	1.9
153.12761	12.1
155.10701	1.6
155.14282	2.8
159.11720	8.4
161.13278	5.7
163.11157	5.1
163.14841	4.8
164.07124	1.8
165.12790	6.1
167.14351	4.9
169.12131	1.5
171.13806	2.7
173.13190	3.0
173.15358	4.6
175.14789	3.8
177.12793	1.5
177.16423	3.4
181.12282	3.7
183.13741	1.4
185.15344	1.4
187.13321	1.9
187.14873	1.8
189.16397	1.8
201.16451	2.2
203.18076	2.8
205.19557	1.4
209.19052	2.8
215.17976	3.5
236.80257	1.6
261.25775	1.5
271.24277	6.7
277.25272	5.8
279.26620	1.6
289.25281	15.4
295.26324	23.5
307.26343	36.0
313.27295	3.5
325.27466	16.5
361.29666	1.6
487.30453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05496	1.1
56.05022	1.6
57.03434	0.5
57.07068	0.6
58.06593	1.1
60.08162	15.8
60.34131	0.4
67.05483	1.0
69.07067	2.6
70.86552	0.8
70.86903	0.5
71.07374	5.4
71.74300	0.3
73.13090	0.3
77.02622	0.3
77.50091	0.3
79.05481	0.4
79.54597	0.3
81.07037	1.3
83.08610	1.2
86.09705	45.0
93.07030	0.9
95.08605	1.4
97.10194	0.5
98.98457	2.9
104.10743	99.2
105.11054	0.5
107.08568	0.5
109.10161	0.7
121.10139	0.6
125.00001	26.9
135.11729	0.7
150.64825	0.4
151.01607	0.4
163.01535	0.7
184.07339	100.0
185.07761	0.5
258.11035	1.2
259.42426	0.4
339.29007	1.0
504.34485	8.0
522.35559	42.7
523.35974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.01878	0.4
55.05492	0.1
61.02898	0.1
67.05484	0.2
69.03426	0.5
69.07056	0.1
70.06574	0.1
70.52396	0.1
71.04955	0.1
79.05462	0.1
81.03406	0.4
81.07032	0.2
84.83278	0.1
85.02901	0.7
87.00814	0.2
91.03942	0.1
91.05470	0.2
93.07027	0.2
94.53443	0.1
97.02865	0.3
98.21490	0.2
99.04425	0.1
105.01818	0.1
105.07024	0.1
107.08536	0.1
109.02837	0.4
109.06512	0.1
109.10133	0.1
122.06027	0.1
122.87111	0.1
127.03922	0.6
131.08597	0.1
133.10155	0.1
137.05928	0.2
145.04912	0.2
149.09622	0.1
155.04878	0.2
159.02858	0.2
165.06966	0.1
177.06931	0.3
189.06909	0.6
190.07759	1.1
191.08553	5.1
195.08055	0.1
200.06363	0.1
201.06935	0.6
202.07773	2.0
203.05122	0.3
203.08577	1.5
205.06500	1.0
213.03763	0.1
217.06500	0.1
218.07277	1.5
219.08052	5.5
221.05981	0.1
221.09511	0.1
223.07469	0.2
229.06506	0.7
230.07141	0.2
231.08041	16.1
232.08389	0.1
233.06010	1.0
237.09084	0.3
243.08313	0.1
245.06006	0.5
246.06822	0.3
247.07541	14.1
248.07831	0.1
249.05576	0.5
257.05933	1.9
258.06671	0.1
260.04791	0.3
271.07410	0.1
273.05548	0.2
273.09021	0.2
274.06281	0.2
275.07010	100.0
276.07379	0.9
279.11893	0.1
306.25095	0.1
315.10172	0.1
317.08139	0.2
320.12906	0.1
461.11862	0.1
523.12341	0.8
523.20496	0.1
539.47437	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48850	0.2
55.05498	0.5
56.05028	0.5
56.96559	0.2
57.07065	0.2
58.06601	0.4
60.08162	6.0
60.16988	0.2
61.91519	0.2
67.05510	0.5
69.07070	0.5
70.03217	0.3
70.03626	0.7
71.07369	2.7
81.07041	0.4
86.09706	28.9
87.09974	0.2
93.07034	0.3
93.40950	0.2
95.08620	0.3
98.20803	0.2
98.98473	2.7
104.10745	3.0
113.69547	0.2
125.00007	20.0
143.01045	0.4
154.94197	0.5
164.13460	0.2
166.29057	0.2
172.95227	1.5
184.07338	100.0
185.07576	0.5
186.65076	0.2
190.96266	0.9
195.96855	0.3
210.97664	0.3
228.97743	0.4
246.98872	0.3
256.73239	0.2
258.11084	0.2
339.29004	0.2
466.19052	0.3
504.34421	1.3
522.23297	1.0
522.35461	4.5
523.34497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
57.03440	6.0
61.02942	0.4
65.03946	0.9
67.05495	0.7
69.03412	0.6
71.13911	0.5
71.14239	0.3
73.02896	0.5
79.05521	0.5
81.07036	0.5
85.02908	3.5
85.79066	0.3
91.05482	100.0
92.05807	0.6
92.55577	0.3
93.07037	0.8
94.06588	0.4
95.01317	1.1
95.04964	0.3
95.08599	0.4
97.02897	1.3
99.04478	0.3
101.02391	0.4
105.07050	0.4
105.70129	0.4
107.08587	0.4
109.02869	0.3
113.02350	1.2
119.04936	0.5
119.08546	0.4
131.03412	0.6
137.05988	2.3
139.75455	0.3
141.01877	1.7
159.03029	0.3
161.05905	0.4
173.63884	0.3
184.07378	0.7
193.08614	78.4
194.08897	0.4
219.29608	0.4
281.12863	0.6
311.12781	15.0
337.11649	0.5
357.14105	0.3
467.98444	0.4
522.22705	0.7
522.30225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03917	0.6
53.83152	0.4
55.01860	0.8
56.96575	0.5
57.03432	0.8
60.04543	0.5
61.02905	0.5
63.02374	0.6
65.03915	1.1
67.05502	0.8
69.03436	2.5
70.06582	0.9
71.04998	0.9
71.58853	0.9
77.03958	0.4
78.04675	0.5
79.05484	0.6
81.03417	4.0
81.07061	1.3
83.04988	0.9
84.74963	0.4
85.02908	4.5
86.09692	0.8
87.04391	0.5
89.03912	4.5
89.06052	1.1
90.12495	0.4
91.05473	1.4
93.07043	1.6
95.04967	1.1
95.08604	1.5
97.02888	1.6
98.06030	0.4
99.04414	0.7
101.48740	0.5
103.05415	0.7
105.07018	2.2
107.08561	1.0
109.02888	2.3
109.06503	1.0
109.10168	0.8
110.06055	0.5
116.10721	0.5
116.98595	0.5
117.03378	14.9
119.03432	1.5
119.08569	1.3
120.04471	11.5
120.08072	0.5
121.06478	0.7
121.10154	1.0
123.08097	0.7
127.03922	2.0
133.10172	1.1
134.03674	0.7
135.04433	1.3
135.11707	1.6
137.05962	1.6
137.09685	0.5
138.05498	1.5
140.04654	0.6
145.02850	40.3
147.04430	0.8
147.11671	1.3
148.03940	21.4
149.05971	6.9
149.09576	0.6
151.03871	0.7
151.11249	0.7
159.11676	0.9
163.03905	1.4
163.07414	0.5
166.05005	56.5
167.05424	0.6
167.07077	0.5
175.14772	0.6
177.05473	100.0
177.12677	1.0
178.05815	0.8
179.10602	0.6
180.06543	1.7
181.04961	1.6
181.08615	2.9
184.06058	54.8
186.05513	1.5
189.12708	1.2
193.12154	0.5
195.13786	1.6
207.13690	0.9
239.12769	1.6
247.07368	0.6
303.04926	1.0
321.09659	4.5
334.06448	0.6
339.10791	4.8
346.11404	2.5
360.14377	1.6
432.19296	3.4
522.15558	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	521.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01876	7.3
55.05507	27.7
57.03426	7.9
57.07071	12.3
58.80108	3.6
61.02920	6.6
65.03951	6.6
67.05505	32.1
69.03425	27.8
69.07060	46.7
70.06586	12.5
71.04993	8.2
71.59458	8.2
73.02940	5.6
79.05480	22.0
81.03410	45.4
81.07059	100.0
83.04969	10.8
83.08614	8.8
85.02893	28.7
85.06540	13.0
91.05430	22.5
93.07037	51.5
94.06564	5.4
94.74364	4.0
95.04963	13.1
95.08607	78.8
96.29015	3.5
97.02892	24.3
97.06519	16.3
97.10172	17.3
99.04454	17.9
103.03956	4.8
105.07054	25.9
107.05035	5.2
107.08595	46.6
109.02879	33.8
109.06513	13.1
109.10145	34.8
111.04422	9.3
111.08083	18.3
111.11730	5.0
116.10773	6.2
117.07025	6.7
119.04972	7.6
119.08540	28.1
121.06474	11.1
121.10135	44.0
122.06034	8.8
123.08078	6.6
123.11704	48.2
125.09625	8.2
127.03912	28.0
131.08563	12.7
133.06490	4.7
133.10117	16.5
135.08092	6.8
135.11685	21.0
137.05995	11.0
137.09636	7.9
137.13248	15.4
139.11179	18.7
143.08585	4.0
145.04938	8.2
145.10100	19.3
147.04405	19.8
147.11697	18.1
149.06017	5.4
149.09642	6.0
149.13260	25.9
153.12738	9.5
155.10602	4.5
157.10133	4.9
157.12213	8.1
159.11758	11.3
161.09558	5.6
161.13242	12.1
163.11203	11.4
163.14830	6.4
165.09140	8.1
167.05637	4.2
173.09650	8.8
173.13243	7.0
175.14796	7.1
177.05505	6.3
181.12302	5.5
185.09583	6.0
187.13283	12.4
189.16441	4.2
205.12296	4.3
205.15698	4.3
213.16364	4.5
214.17993	22.2
215.18346	21.3
251.12711	4.6
287.23776	5.8
293.24759	8.9
303.23007	5.1
305.24750	22.3
323.25684	21.1
376.06131	4.3
377.15488	5.1
413.26804	7.3
431.27847	12.7
449.28815	18.8
467.29880	15.4
503.19077	6.1
521.19141	5.3
521.26367	7.7
522.23102	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05028	0.4
58.06633	0.4
59.07382	0.1
60.08165	5.6
63.45452	0.1
67.05500	0.5
69.07059	0.3
69.34938	0.2
69.35333	0.9
71.07377	2.9
76.15161	0.1
79.05476	0.3
81.07066	0.4
86.09708	29.2
93.07029	0.1
95.08619	0.4
98.98464	2.8
104.10742	2.9
125.00008	20.2
142.87047	0.1
143.01074	0.1
166.02690	0.1
184.07344	100.0
185.07674	0.5
258.11041	0.3
337.27484	0.2
339.91782	0.1
502.32928	1.2
520.34021	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	520.34
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
51.43470	0.4
52.36354	0.4
55.05497	1.1
56.05018	1.2
57.03437	0.6
58.06604	1.2
59.07394	0.4
59.94390	0.4
60.08164	16.1
67.05505	2.2
67.90944	0.4
69.07066	1.3
70.86700	1.3
71.07372	6.0
79.05503	1.0
81.07052	3.0
83.08613	0.5
86.09705	46.5
91.05472	0.4
93.07031	0.8
95.08603	1.6
98.98439	3.1
100.34542	0.4
104.10743	99.7
106.55485	0.5
109.10138	0.8
125.00006	27.5
132.73758	0.4
149.49355	0.4
153.64366	0.5
159.34180	0.4
163.01695	0.5
181.02634	0.6
184.07341	100.0
185.07695	0.7
258.11212	0.9
259.61975	0.4
308.69986	0.4
337.27420	1.0
393.03149	0.4
502.32907	8.2
520.33972	35.7
521.34338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05511	7.5
57.03446	6.6
65.03923	1.4
67.05508	29.3
69.07069	5.8
69.59471	1.0
71.58292	1.2
71.58651	1.5
79.05495	14.6
81.07059	25.0
83.08635	2.0
86.09733	2.3
88.03979	5.8
91.05457	7.4
93.07041	16.0
95.04980	1.3
95.08617	18.0
97.06493	1.2
98.98482	4.4
105.07007	5.2
106.05060	1.4
107.08607	6.4
109.10176	7.5
115.35544	1.2
116.49218	1.0
119.08594	3.0
121.10155	5.8
122.32678	1.0
123.11711	2.1
124.93785	5.9
124.99999	1.9
128.98518	1.2
131.08574	2.5
133.10178	2.4
135.11690	2.5
142.94827	2.0
145.10205	1.7
147.11717	1.5
149.13309	1.1
167.98001	3.8
184.07310	6.8
185.07706	2.4
185.99031	1.0
198.97630	1.1
257.00803	1.1
335.25815	100.0
346.07639	1.2
358.16364	2.1
406.07983	1.2
459.18835	1.4
460.18454	1.6
520.24225	11.2
520.32208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81192	0.9
55.01867	0.9
55.70238	1.0
60.04543	1.1
67.05483	0.9
69.03423	1.5
69.73100	4.0
69.73532	2.6
72.08142	4.9
72.11222	0.8
73.04739	0.9
80.04968	0.8
85.02911	1.7
86.09721	1.6
91.05804	2.0
95.04984	1.1
95.08656	1.0
98.20801	1.1
109.02866	1.7
111.04427	2.7
123.04395	1.2
130.34698	0.9
134.05984	0.8
137.05975	31.9
139.03958	1.0
146.06067	1.9
147.04419	5.7
149.05966	1.6
150.05495	1.8
151.03877	1.2
151.07556	1.0
152.07062	1.6
161.05980	2.4
162.05539	2.1
163.04013	1.1
163.06230	2.5
164.07060	3.1
165.07013	1.6
165.89865	0.8
167.05623	2.1
167.08476	1.1
167.52806	0.9
175.03944	3.2
177.05540	1.7
177.07031	3.1
181.06447	1.0
186.88402	1.0
192.06560	2.5
194.07225	0.9
194.63489	0.8
195.08026	1.7
204.08199	1.2
205.06473	16.1
211.07657	1.8
212.07182	1.2
218.11734	1.6
221.06041	1.8
222.06842	4.8
222.08725	1.1
223.07549	12.1
232.07492	1.5
233.06020	9.2
234.06793	1.9
235.07388	1.0
237.09052	5.2
239.07030	1.8
249.05525	1.6
249.07924	1.9
250.06238	15.0
250.08678	9.0
251.07022	21.9
251.09569	1.7
252.07880	1.6
253.08646	2.5
256.13058	1.1
261.05447	1.5
263.07123	2.3
265.08618	15.7
266.08179	1.1
267.06522	2.1
267.09088	1.3
268.07251	2.8
268.09787	1.9
270.08868	0.9
271.09641	2.5
274.13828	1.7
277.07236	1.2
278.05692	18.2
278.08197	11.3
279.06500	7.6
279.09061	2.3
280.07111	1.1
281.04681	1.1
283.09659	12.6
285.09875	1.1
293.08063	41.5
294.07913	1.2
295.08429	6.2
296.06720	3.4
299.06012	1.5
299.09073	10.1
300.06119	1.3
300.12167	5.4
310.07660	1.0
310.10724	27.3
311.06119	0.9
311.09125	45.5
328.11795	100.0
329.12222	1.3
339.10675	1.6
344.49887	0.8
349.09064	3.6
393.81113	1.0
502.16449	3.3
520.18304	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52232	0.3
51.77048	0.3
53.03954	0.3
55.05508	0.4
57.03437	1.2
61.02929	0.4
67.05517	0.9
69.03428	2.2
69.07069	0.8
70.06603	0.3
70.72698	0.9
71.04995	0.4
73.02914	1.1
73.04789	0.3
79.05489	0.7
81.03421	1.0
81.07053	1.2
83.04990	0.4
85.02904	2.4
85.06540	0.6
87.04462	0.9
91.03984	0.3
91.05857	0.7
93.07040	1.5
95.04967	0.5
95.08606	0.9
97.02902	1.7
97.06556	0.7
99.04478	0.6
99.08109	0.4
105.07044	0.9
107.04953	0.5
107.08609	0.8
109.02893	0.8
109.06516	0.6
109.10175	1.1
111.04435	0.3
111.08133	0.3
115.03947	0.9
117.07051	0.4
119.08585	0.7
121.06478	0.3
121.10187	1.1
122.08305	0.3
123.08087	1.5
123.11750	0.6
125.05997	0.3
125.09647	0.9
127.03928	1.5
131.08609	0.5
133.04967	0.7
133.10123	0.8
135.08099	0.3
135.11710	0.6
137.05980	2.6
145.10173	0.5
147.04420	0.7
147.11722	0.5
149.13177	0.3
151.07555	2.4
159.11723	0.6
160.12041	0.4
163.03960	0.4
163.11224	1.2
167.05597	1.1
177.05539	1.0
181.12199	0.6
189.12791	1.1
191.14395	0.6
207.13821	3.2
209.15410	0.3
225.14888	0.8
227.76958	0.4
268.10733	0.3
271.06049	1.5
282.72165	0.3
287.05688	0.5
299.06201	1.8
321.24249	0.5
344.97919	0.4
357.18814	3.8
387.20255	0.5
415.03879	0.4
437.92337	0.3
459.22134	0.5
481.85742	0.3
487.21445	1.2
501.23459	0.6
519.24170	100.0
520.24469	1.7
538.74359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03762	2.5
54.90827	2.5
56.99652	2.9
59.35117	3.2
69.78094	9.7
69.78506	8.5
80.09959	2.8
85.02910	4.8
91.05785	10.0
92.91216	2.7
93.59273	3.0
95.04961	4.9
101.50780	2.9
110.86590	2.7
111.04384	3.1
117.72739	3.2
122.03625	3.0
123.04475	3.4
137.05963	55.7
147.04411	14.0
152.07147	3.3
162.05431	3.4
164.07056	4.0
167.05573	5.5
175.03940	8.7
177.05518	2.8
177.06989	9.4
199.23355	2.9
205.06482	19.4
222.06802	5.4
223.07579	14.7
233.05937	10.4
234.06845	3.4
236.90895	3.3
250.06259	12.2
250.08678	11.0
251.07022	26.4
265.08688	17.0
278.05591	20.2
278.08353	15.2
278.10696	3.5
279.06436	9.8
279.09195	4.0
283.09650	15.0
293.08051	51.3
295.08441	6.8
296.06787	4.4
299.06104	6.0
299.09183	10.6
300.06232	7.2
300.12219	7.2
310.10739	26.0
311.09119	48.3
319.85980	3.4
328.11786	100.0
339.10703	8.4
349.09177	19.6
423.35577	3.0
502.17068	11.6
520.18152	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.96574	0.7
57.03430	2.5
57.07075	0.5
61.02903	1.0
64.95788	0.5
67.05499	1.6
69.03123	0.5
69.03435	5.5
69.07062	1.2
69.56110	0.7
69.56438	4.3
70.06586	0.8
71.04967	0.8
73.02915	2.8
79.05492	1.5
81.03427	1.9
81.07058	2.9
83.04984	0.9
84.04493	1.1
85.02908	5.8
85.06554	0.7
86.09705	0.9
87.04466	2.3
91.05393	1.0
91.05861	1.2
93.07051	2.8
95.04968	1.2
95.08586	1.7
97.02900	5.0
97.06521	1.5
98.20811	0.6
98.97574	0.6
99.04460	1.0
102.84008	0.6
105.07047	3.7
107.04949	1.0
107.08607	1.8
109.02890	2.2
109.06515	1.0
109.10140	1.8
111.04497	0.6
111.08065	0.7
115.03938	3.3
117.06998	0.8
118.35558	0.6
119.03431	1.0
119.04941	0.7
119.08583	3.5
121.06493	1.2
121.10159	2.2
123.08069	3.9
125.06018	0.7
125.09630	0.9
127.03909	2.2
131.08586	1.4
133.04990	2.4
133.06464	0.5
133.10117	1.5
135.04442	0.7
135.08058	1.4
135.11661	0.5
136.67537	0.5
137.05984	1.3
137.09584	0.6
145.02919	0.5
145.04898	0.6
145.06607	0.5
145.10167	1.5
147.04384	2.0
147.11667	3.5
149.09601	1.1
151.07555	5.1
151.11188	0.6
153.52867	0.4
157.16394	0.6
159.11728	1.8
160.11984	0.6
161.13232	0.8
163.03928	1.9
163.11195	1.1
165.12756	3.2
167.05595	1.9
175.11166	0.9
175.14882	0.8
177.05467	0.8
177.12732	1.3
180.06583	0.8
181.12186	0.9
189.12785	1.5
191.14203	0.7
192.11427	0.7
203.47037	0.5
207.13812	10.5
209.15343	0.9
221.08122	1.8
225.14845	3.2
259.08014	1.1
283.02826	0.7
296.76578	0.5
299.06183	4.7
317.30609	0.5
321.24265	0.8
329.94165	0.6
339.17920	0.7
357.18854	3.8
387.20215	1.4
487.21924	0.8
519.24200	100.0
520.25159	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
53.16939	0.3
55.05507	0.5
56.05027	1.4
58.06601	1.3
60.08165	15.1
67.05512	2.4
69.07058	1.1
69.96021	1.9
70.06607	0.4
71.07377	6.7
79.05480	1.3
81.07059	1.9
83.08640	0.5
86.09708	49.1
88.71693	0.4
89.84794	0.4
91.05494	0.9
93.07038	1.6
95.08608	1.1
98.98473	4.2
104.10745	100.0
105.07000	0.5
107.08582	0.7
119.08536	0.4
120.63835	0.5
121.10131	1.0
125.00007	25.8
127.58758	0.4
143.01047	0.5
158.15744	0.5
163.01527	0.7
181.45947	0.4
184.07346	97.2
185.07777	0.6
210.73842	0.4
212.77776	0.4
258.11011	0.9
335.25787	1.2
500.31369	8.9
518.32446	39.7
519.32727	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76365	0.2
55.05500	0.4
56.05037	0.8
57.03430	1.1
57.07074	4.7
58.06589	0.7
60.07873	0.3
60.08162	3.9
67.05504	1.1
69.07069	0.7
70.64512	0.8
71.07376	3.7
71.08289	0.3
71.08634	2.8
81.07050	0.9
83.08620	0.7
85.10198	1.3
86.09706	19.9
95.08607	1.9
97.10129	0.5
104.10744	100.0
109.10170	0.7
123.11681	0.3
139.32431	0.3
146.98181	11.8
150.01347	0.3
164.99318	0.6
176.99298	0.5
184.07324	0.7
188.00763	0.4
313.27390	7.2
415.22125	0.7
459.24841	44.3
460.25266	0.7
475.78015	0.3
518.32208	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	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.5
58.06601	0.5
60.07880	0.3
60.08163	5.2
67.05489	0.6
70.07948	1.2
71.07377	2.4
81.07059	0.6
86.09704	29.4
94.41117	0.2
98.98460	2.4
104.10738	2.8
125.00003	18.5
143.01036	0.4
174.86290	0.2
184.07336	100.0
185.07605	0.4
198.12080	0.3
214.56145	0.3
500.31094	1.1
518.32471	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03949	1.4
55.05509	11.7
57.03433	3.4
57.07060	1.8
65.03947	0.9
67.05508	22.5
69.07076	8.9
69.94631	1.9
69.95040	3.6
71.04982	1.7
74.71516	1.0
79.05496	15.9
81.06577	1.7
81.07058	26.2
83.04984	1.3
83.08622	5.6
85.06518	1.5
91.05482	15.7
93.07053	22.8
95.04976	2.0
95.08608	22.8
97.06564	1.5
97.10176	2.8
98.20874	1.2
103.05463	1.1
105.07030	16.7
107.08603	16.2
109.10169	11.0
111.08100	1.4
111.28708	0.9
117.07004	5.5
119.08584	16.5
121.10130	10.9
123.08046	1.3
123.11705	3.9
125.09617	1.0
129.07013	3.0
131.08566	12.9
132.15994	0.9
133.10153	14.5
135.08113	1.3
135.11740	7.3
137.13199	1.1
143.08580	5.1
145.10120	11.8
147.11719	9.8
149.13263	5.3
155.08572	1.5
157.10101	4.6
159.11696	9.4
160.62421	0.9
161.13234	4.7
163.14822	2.0
169.10149	2.5
171.11731	4.3
173.13268	7.1
175.14845	2.2
183.11758	2.5
184.07420	1.5
185.13286	3.7
187.14836	3.8
189.16386	2.0
197.13242	1.7
198.51189	0.9
199.14839	1.8
201.16496	2.9
211.14906	1.5
215.18019	1.2
225.16396	1.2
227.18106	1.1
233.19075	1.1
239.20601	1.0
241.17793	1.3
245.18886	1.0
259.20593	2.5
261.18552	1.1
281.21347	1.1
283.00391	1.1
287.23816	2.3
313.25427	1.5
317.24921	1.5
335.26096	1.2
405.30072	1.8
407.33090	2.7
425.34134	11.0
441.98743	1.0
443.35339	4.1
499.37952	14.7
517.38922	100.0
518.39264	3.3
523.65729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03949	1.3
55.01878	1.1
55.05258	1.0
55.05511	10.7
56.46063	0.5
57.03434	3.8
57.07063	1.6
65.03927	1.4
67.05507	22.4
68.41426	0.6
69.07069	10.9
69.26203	7.0
71.04996	1.7
75.04471	0.6
79.05498	16.2
81.06578	1.5
81.07056	27.7
83.05000	1.0
83.08623	6.0
85.06535	1.0
91.05486	15.8
93.07050	23.5
94.42249	0.6
95.04979	2.5
95.08610	19.9
97.06547	2.2
97.10172	2.4
99.08080	0.7
105.07040	16.8
107.08600	13.5
109.06541	1.6
109.10161	9.9
111.08071	1.4
117.07040	6.7
119.08584	17.9
121.10144	11.4
123.08067	1.2
123.11728	2.7
125.09570	0.8
129.06956	2.9
131.08572	11.9
133.10138	13.4
135.08157	0.7
135.11690	7.5
137.09666	0.8
137.13338	0.6
139.11180	0.8
141.06938	0.8
143.08574	4.5
145.10121	12.1
146.60985	0.6
147.11688	9.1
149.09544	0.6
149.13246	4.9
155.08591	1.9
157.10159	4.0
159.11700	9.2
160.12173	0.6
161.13277	5.9
163.14864	2.6
169.10179	1.5
171.11641	5.1
173.13260	7.2
175.11188	0.8
175.14857	3.9
177.16402	0.9
183.11740	1.9
184.07370	1.2
185.13231	4.0
187.14832	3.4
189.16408	1.2
191.14400	0.8
191.17935	0.8
197.13301	1.3
199.14873	2.6
201.16406	1.5
203.18173	0.8
205.15874	1.2
211.14874	1.6
213.16432	2.1
213.18451	0.6
215.18239	0.7
219.17462	1.3
225.16373	0.8
227.18130	1.3
229.15941	0.7
231.21214	0.8
233.19322	0.7
241.18010	2.1
241.20039	0.9
255.21251	1.0
259.20648	2.5
261.22324	1.2
273.22256	0.9
277.21411	0.7
285.22354	1.0
287.23676	1.9
293.21280	1.4
297.22205	0.7
299.23846	1.3
301.25223	1.4
306.47983	0.7
311.23654	0.7
313.25299	1.8
327.26855	1.0
331.26266	0.7
333.24234	1.6
335.25888	0.9
341.28433	0.9
379.29752	0.7
389.26746	0.9
407.32980	2.7
419.31879	0.7
425.34094	9.9
443.35522	3.8
447.31213	0.9
461.35986	0.8
481.36942	1.4
499.37891	14.1
517.38928	100.0
518.39368	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02348	0.7
53.03935	1.5
54.08388	0.6
55.01860	1.3
55.05510	9.6
57.03431	3.2
57.07072	1.6
65.03944	1.4
67.05505	22.3
69.06715	0.9
69.07068	11.7
69.90806	2.3
71.04987	1.0
71.08615	0.8
76.59148	0.5
79.05495	16.3
81.07057	26.9
83.04987	1.2
83.08623	6.4
85.06542	1.9
88.17728	0.5
91.05481	14.4
93.07045	19.9
95.04964	1.8
95.08608	20.8
97.06537	2.8
97.10168	2.5
99.08130	0.7
105.07029	18.6
107.08595	14.7
107.09291	1.1
109.06537	1.0
109.10156	9.1
109.54644	0.5
111.08067	1.0
117.07028	5.8
119.08577	17.5
120.82213	0.7
121.10152	10.7
123.08111	1.1
123.11732	2.9
125.09680	1.0
129.07010	3.8
131.08575	13.1
133.10132	13.7
133.11093	1.1
135.11678	7.6
137.13235	1.0
139.11211	0.7
141.07010	1.3
143.08582	4.0
145.10115	12.9
145.51836	0.7
147.11682	9.6
149.09608	0.6
149.13290	3.8
151.11180	0.6
155.08562	1.6
156.09250	0.8
157.10106	4.5
157.67874	0.5
159.11687	9.1
161.13258	5.5
163.11185	0.9
163.14821	2.1
165.12852	0.8
167.08556	0.9
169.10197	1.5
171.11658	3.7
173.13274	7.3
175.11119	0.7
175.14813	3.4
177.16380	0.9
181.10139	1.9
183.11690	2.6
185.13217	3.5
187.14804	3.4
189.16402	1.3
191.17986	0.9
195.11737	1.3
197.13290	1.5
199.13239	0.9
199.14857	2.7
201.16414	2.1
203.17924	0.9
205.15919	1.1
207.11662	0.6
209.13177	1.2
211.14923	1.0
213.16425	1.7
215.17967	0.9
221.13254	0.7
223.14771	1.0
225.16306	1.1
227.18089	1.0
237.16360	0.6
239.16287	1.0
241.17999	2.2
245.18906	0.8
257.19208	0.6
259.20615	3.4
273.22189	1.3
274.52798	0.6
277.21790	0.6
285.22162	0.9
287.23734	0.9
299.23682	1.5
301.25433	1.0
313.25247	0.9
315.26871	0.6
327.26703	0.8
333.24393	1.7
335.25937	0.9
355.26331	0.8
391.28479	0.6
405.30154	1.0
407.28210	1.1
407.33170	2.7
425.34119	9.7
443.35220	4.5
447.30862	0.8
461.36319	0.8
481.36865	1.0
499.37939	14.9
500.38205	0.9
517.38934	100.0
518.39349	3.5
538.28766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05513	9.7
56.85781	1.1
57.03432	3.4
57.07086	1.3
60.44040	1.2
63.53849	0.9
67.05506	20.1
69.07072	10.2
70.11781	5.2
71.04994	1.6
71.08643	1.2
79.05499	16.0
81.07063	24.5
83.08615	4.8
85.02026	1.2
85.06555	1.2
87.83516	1.2
91.05492	12.4
93.07046	19.6
95.04974	2.1
95.08614	22.2
97.06506	1.9
97.10173	2.5
104.06172	1.2
105.07040	18.1
107.08603	16.3
109.06496	1.7
109.10162	10.3
117.07000	5.7
119.08581	16.2
121.10152	12.0
123.08047	1.1
123.11707	3.3
125.09586	1.4
129.07043	2.1
131.08580	11.5
133.10138	14.5
135.11681	6.6
139.11185	1.2
143.08612	3.7
144.07262	1.1
145.10118	11.9
147.11705	10.4
149.13243	4.4
149.78093	1.3
157.10153	4.9
159.11732	6.7
161.13312	5.3
163.14897	2.4
167.17474	1.0
169.10098	1.8
171.11697	3.8
173.13275	8.1
175.14859	3.1
177.16579	1.2
183.11716	2.1
185.13268	3.2
187.14851	4.8
199.14886	2.4
201.16309	1.4
211.14841	1.4
213.16412	1.6
215.18001	1.7
225.16396	1.6
241.17923	2.1
250.64432	1.1
257.18912	1.1
259.20764	2.2
267.05106	1.1
273.22153	1.4
274.75577	1.1
287.23807	2.2
301.25250	1.2
313.25421	1.4
327.27066	1.5
329.25104	1.4
407.33261	1.4
425.34134	11.4
443.35239	4.7
471.34317	1.3
499.37863	17.0
517.38959	100.0
518.39404	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	517.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01867	2.1
55.05517	25.0
57.03429	7.7
57.07074	12.4
61.02921	4.4
62.28828	1.8
63.54149	1.8
65.03950	3.4
67.05509	87.8
69.03416	2.5
69.07068	28.5
71.04987	3.3
71.08630	6.6
71.10467	4.0
73.02908	1.8
79.05497	21.8
80.00202	1.6
81.03432	5.8
81.07062	100.0
82.07341	2.0
83.04980	3.2
83.08620	23.0
85.02901	4.9
85.06554	2.7
85.10219	2.1
91.03952	2.2
91.05486	21.9
93.07040	29.8
95.04980	3.4
95.08614	82.5
97.02898	6.8
97.06523	6.5
97.10175	13.5
99.08093	5.7
104.10741	7.1
105.07050	16.2
107.08598	21.2
109.06551	3.2
109.10157	43.8
111.04512	2.2
111.08110	3.7
111.11729	5.4
113.09682	2.3
117.07058	1.9
119.08598	17.1
121.10152	22.9
123.08102	1.9
123.11719	23.2
125.00147	2.0
125.09609	3.0
125.13369	1.7
127.03900	2.0
127.11160	3.4
129.06984	2.7
131.08574	6.6
132.62546	2.0
133.10155	17.1
135.11714	12.9
137.09621	3.8
137.13240	7.9
144.27347	1.7
145.10124	2.6
147.11690	13.8
149.13260	14.6
151.14799	7.4
155.14317	3.4
159.11739	3.4
161.13303	14.9
163.14775	12.0
163.35165	1.9
165.16441	9.9
173.13214	2.4
175.14844	13.1
179.14355	2.6
179.17961	7.7
184.07352	3.4
187.14961	1.9
189.16409	6.2
203.17986	2.5
207.17401	2.2
245.22682	54.7
245.25232	2.7
263.23721	68.8
289.45258	1.7
337.27396	59.2
355.28622	3.0
371.25711	2.4
390.78461	2.0
407.27313	2.8
459.24551	2.0
463.30505	2.1
481.31589	3.6
499.32703	9.2
517.35266	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	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
55.05512	23.1
57.03437	11.3
57.07069	9.9
67.05505	74.3
69.03416	7.8
69.07066	26.0
70.10514	20.6
71.08644	4.3
79.05489	28.4
80.12165	4.0
81.03413	8.9
81.07059	100.0
83.04995	4.4
83.08620	18.7
85.02917	7.7
86.09715	6.7
91.05470	27.6
93.07034	34.5
95.04967	4.0
95.08037	7.2
95.08604	72.8
97.02895	8.6
97.06530	6.9
97.10141	7.6
98.43531	4.0
99.08106	8.1
103.59741	3.7
104.10783	5.7
105.07027	21.0
107.04975	3.9
107.08613	18.1
109.06529	4.3
109.10165	38.1
111.08112	5.5
117.07018	5.7
119.08591	15.7
121.10168	22.1
121.63326	3.8
123.11709	13.1
125.00022	7.2
125.09630	4.9
131.08530	7.4
133.10129	12.0
135.11717	10.3
137.09628	4.6
137.13274	8.9
145.10123	8.5
147.11696	7.4
149.13290	6.2
151.11143	5.1
151.14769	7.3
155.14323	5.4
161.13249	15.1
163.14796	9.0
165.16389	6.3
175.14903	8.5
180.73561	3.8
184.07359	12.5
189.16319	5.8
195.57265	3.8
235.13188	4.2
245.22682	34.0
263.23682	43.1
337.27383	33.9
348.08563	3.7
355.28406	5.7
359.16846	4.1
407.28143	5.9
410.99030	4.5
445.29651	4.8
499.33017	11.8
517.38110	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	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.05516	6.3
57.03439	1.7
57.07078	1.7
58.16554	1.2
61.02922	1.5
65.47931	1.1
67.05506	9.9
69.03436	9.1
69.07069	10.6
70.66032	4.0
71.04998	2.7
71.08624	1.7
73.02920	1.4
74.93940	1.2
79.05495	4.4
81.03439	6.8
81.07066	14.7
83.04995	8.4
83.08619	6.0
85.02912	18.3
85.06534	2.7
91.05492	5.7
93.07069	8.2
95.04955	3.4
95.08611	21.1
97.02891	8.2
97.06523	5.6
97.10143	3.2
99.04462	7.0
99.08096	2.9
103.03947	14.8
105.07005	6.8
107.04993	1.3
107.08601	16.3
109.02888	5.5
109.06544	7.5
109.10163	72.0
111.08063	3.0
113.09677	1.9
117.06992	1.6
119.07789	2.7
119.08582	26.8
121.10147	10.6
123.08073	8.6
123.11726	7.8
125.09627	3.6
127.03932	15.1
127.11179	1.3
129.06940	1.5
131.08563	1.5
133.10130	12.1
135.04480	1.7
135.08093	1.6
135.11710	59.9
137.06004	3.3
137.09642	13.9
138.09105	2.2
139.11156	3.3
145.04987	7.6
145.10139	2.9
147.04424	2.2
147.11670	1.3
149.13249	4.7
151.11224	7.2
151.14822	9.9
153.12669	1.5
159.11671	2.1
163.03929	2.0
163.06015	5.2
163.07404	1.6
165.12775	1.4
165.16397	2.1
175.14832	27.3
177.05496	2.1
178.04988	2.1
193.15898	44.4
211.16945	100.0
212.17267	1.3
220.02448	1.2
238.54253	1.4
276.13266	1.5
319.22821	1.7
481.25159	1.7
517.20087	5.5
517.27667	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01859	1.4
55.05502	6.5
57.03441	1.7
57.07072	3.0
59.04999	1.9
61.02895	1.2
61.56277	0.9
67.05504	14.1
69.03432	8.2
69.07070	9.9
69.46927	8.0
71.04987	3.7
71.08630	1.1
73.02901	1.3
79.05486	2.6
81.03397	4.6
81.07058	16.2
83.04967	7.5
83.08624	6.2
85.02899	17.4
85.06534	3.4
91.03944	1.1
91.05465	4.4
93.07050	8.3
95.04982	2.7
95.08607	27.2
97.02881	8.2
97.06525	2.1
97.10139	1.8
98.21532	1.7
99.04459	13.0
99.08092	2.8
103.03939	19.1
105.07025	7.6
107.08596	18.3
109.02866	6.3
109.06499	8.7
109.10152	86.9
111.08088	3.5
111.11732	1.1
113.09615	1.4
119.08575	39.9
121.10149	12.4
123.04366	1.0
123.08065	11.6
123.11717	8.0
124.78657	0.9
125.09631	2.2
127.03913	22.1
129.06944	0.9
133.10123	20.1
133.11096	1.9
135.11690	100.0
137.05946	2.4
137.09598	11.5
139.11221	1.3
145.04967	9.1
145.10132	1.0
147.04404	1.2
147.11673	2.0
149.09505	1.2
149.13246	7.4
151.11189	8.9
151.14799	8.2
152.70033	0.9
153.12737	2.8
155.10652	0.8
163.06010	5.7
165.12733	0.9
165.16374	3.3
169.58432	0.8
175.14816	42.6
186.66267	0.9
186.67978	0.9
187.05994	1.6
188.64647	0.9
193.14525	1.1
193.15872	73.9
211.16922	89.7
212.17397	1.6
213.83235	0.8
242.67728	0.9
271.07993	1.1
307.10056	1.8
497.92560	1.0
517.21674	3.4
517.28894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01870	4.9
55.05513	49.8
55.05782	2.7
57.03435	11.2
59.04994	5.5
61.02916	5.0
67.05505	80.7
69.03439	7.5
69.07070	10.7
70.06602	3.0
71.04987	6.3
71.59265	2.9
71.89192	1.6
72.08162	1.6
73.02921	2.3
76.93895	1.4
79.05486	20.3
81.03430	11.1
81.07062	23.1
83.04978	6.5
83.08617	20.3
85.02911	27.5
85.06560	2.5
86.09712	2.3
87.00830	1.9
87.04474	9.1
87.11059	1.7
89.63534	1.7
91.05478	9.8
93.07041	7.5
95.04987	3.8
95.08611	11.7
97.02882	8.7
97.06511	2.8
97.10172	32.9
99.04446	3.0
103.03963	5.2
105.04443	1.7
105.07030	9.5
107.04948	4.7
107.08602	16.1
109.02882	11.3
109.06523	3.6
109.10157	78.0
110.03223	1.9
111.04463	3.0
111.08060	2.0
117.07071	2.7
119.08573	11.3
121.10146	6.7
123.08078	1.6
125.09626	40.8
127.03922	8.5
131.08537	3.0
133.06493	2.8
133.10133	4.4
135.11665	4.5
137.06013	2.9
137.09633	20.7
141.86662	1.7
143.10670	10.3
145.04913	2.3
145.10127	7.0
148.11186	2.1
149.09634	2.4
153.12778	3.9
155.10710	8.0
161.13290	2.6
163.11200	7.4
164.07106	3.1
169.44043	1.7
173.11755	49.6
173.13141	2.4
173.38721	1.6
176.10738	1.8
178.08653	11.4
181.12282	2.5
189.12814	3.5
191.10715	3.1
193.12201	2.4
199.13292	6.3
207.13811	7.5
209.11765	4.6
217.14238	7.6
227.12744	7.3
229.14360	100.0
230.14726	1.7
232.16989	3.9
250.14282	2.2
250.17940	4.1
268.06049	1.9
268.19168	1.5
283.15411	5.9
301.16431	14.8
319.17551	34.1
324.05563	2.2
463.21713	11.1
481.22598	1.8
498.23074	3.0
516.23956	3.1
517.22430	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01859	5.9
55.05511	55.9
57.03437	15.6
57.07093	1.7
59.04986	5.0
61.02914	6.3
65.03950	2.4
67.05506	96.0
69.03433	11.9
69.07053	10.7
69.26447	1.6
70.06581	4.0
70.69228	1.5
71.04982	6.0
71.59206	3.0
73.02901	4.9
74.06060	1.6
79.05493	22.1
81.03423	8.8
81.07057	30.4
83.04961	6.4
83.08620	22.9
85.02415	3.0
85.02901	31.5
85.06538	3.8
86.09697	3.2
87.04461	9.3
91.03934	3.0
91.05472	12.0
93.07044	11.6
95.04974	4.0
95.08603	13.6
97.02907	11.3
97.06524	5.7
97.10174	37.5
99.04388	2.0
103.03952	3.9
105.07014	12.2
107.04978	4.7
107.08579	20.4
109.02846	6.9
109.06486	4.2
109.10156	83.7
111.04438	1.8
111.08077	5.0
117.06989	3.9
119.08586	14.8
121.06495	1.7
121.10139	7.7
123.08083	3.1
125.09638	36.7
127.03931	8.2
127.98486	1.6
131.08583	3.4
133.10127	2.8
135.11655	4.2
137.09610	31.1
143.08575	1.8
143.10686	10.1
145.04927	2.2
145.10072	4.8
147.07953	2.9
147.11650	1.8
149.09628	4.8
151.11188	2.0
153.12733	4.7
155.10641	9.0
161.13272	5.1
163.11159	6.6
164.07092	4.0
173.11745	54.7
173.13170	3.2
177.05418	2.3
178.08646	10.2
181.12233	2.7
189.12700	3.3
191.10556	2.2
191.14526	2.0
199.13278	5.8
207.13797	8.1
209.11748	6.9
217.14433	7.1
227.12833	8.1
229.14352	100.0
232.16945	3.1
250.18053	6.0
283.15338	5.0
296.05457	2.1
301.16394	13.7
319.17474	30.8
324.05392	2.2
331.10620	1.9
337.18176	2.4
463.21545	7.4
481.22623	2.2
498.23117	2.0
516.24109	2.8
517.23029	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	516.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05259	1.6
55.05511	21.0
56.96570	1.8
57.03432	7.6
59.04979	2.8
59.41901	1.0
61.02911	4.4
61.82748	0.9
65.56487	1.1
67.05504	53.4
69.03422	4.6
69.07045	3.8
69.44553	2.7
69.44971	6.7
70.06596	1.0
71.04983	6.3
73.02904	1.9
74.04488	0.8
75.04473	1.2
79.05496	7.5
81.03394	4.2
81.07059	13.6
83.04976	3.5
83.08620	11.1
85.02908	16.7
85.06519	2.3
86.06998	1.0
86.09686	1.2
87.04460	5.6
91.03977	1.3
91.05478	3.8
93.07047	3.6
95.04964	2.5
95.08611	7.5
97.02907	6.6
97.06527	1.5
97.10166	14.2
98.97579	2.5
99.04441	1.7
103.03936	3.3
105.07023	1.7
107.04937	1.9
107.08588	7.6
109.02870	3.2
109.06514	1.3
109.10159	59.1
111.08128	1.7
116.98651	1.4
117.06989	1.5
119.08582	7.5
121.10155	1.8
123.04431	1.3
125.08747	1.6
125.09623	18.0
127.03902	3.8
129.05476	1.1
131.08644	1.7
133.10085	1.6
135.11739	1.1
137.09648	3.7
143.10674	5.4
144.32433	1.0
145.04915	1.3
145.10130	1.7
149.09653	1.4
155.10661	7.0
163.11162	3.4
173.11737	44.3
177.05490	1.4
178.08704	1.2
193.12270	1.4
199.13287	2.9
209.11736	2.5
209.15428	1.4
216.21201	1.0
217.14339	3.0
227.12799	2.2
229.14351	100.0
237.02815	1.2
293.09155	1.6
301.16418	2.6
303.04913	10.3
304.05267	5.5
319.17526	12.7
334.06207	2.1
334.56378	3.5
335.10077	1.8
337.18393	1.1
345.56412	1.1
346.06958	1.2
377.01874	4.2
378.02200	1.6
463.21768	11.9
481.22906	1.8
516.20758	4.4
517.22644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05502	0.8
57.03420	1.0
59.61716	0.5
61.02909	1.5
67.05489	0.9
69.03430	2.6
69.68781	3.4
70.06583	0.5
71.04996	0.6
81.03407	3.1
81.07064	0.6
83.04962	0.6
85.02436	0.6
85.02904	9.2
86.09705	1.0
87.04430	0.5
91.03915	0.6
91.05469	1.0
93.07046	0.5
95.04980	0.7
97.02906	2.9
98.97522	0.6
99.04445	0.9
105.07011	1.0
109.02868	1.5
111.04469	0.6
121.10143	0.5
123.04386	0.6
127.03917	2.7
128.06235	1.0
135.04398	0.4
145.04948	1.6
147.04414	0.6
148.73001	0.5
177.05476	0.9
178.05820	0.5
189.06989	0.7
190.07787	0.6
191.08575	1.4
193.12280	1.0
194.12502	0.7
202.07779	1.1
203.08534	2.2
217.06485	1.0
219.07983	3.2
221.09634	1.7
223.07538	1.3
231.08020	0.8
233.11639	1.0
237.09105	1.8
245.05971	31.7
247.07549	21.9
265.08585	8.7
268.10593	0.8
273.05457	100.0
274.05856	1.3
275.06979	1.9
285.17078	0.6
286.17401	0.7
287.17499	0.8
291.06509	40.7
319.06012	52.8
337.07031	13.5
471.45850	0.5
481.11218	1.8
516.21002	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49854	1.2
53.03931	2.6
55.01612	1.3
55.01864	5.2
55.05515	29.7
55.70013	1.5
56.96559	1.7
57.03431	9.7
57.07081	2.0
59.04993	5.3
61.02916	4.6
65.03939	1.2
67.05504	63.8
69.03429	7.8
69.07077	7.4
69.07401	1.4
70.06593	2.5
71.04969	3.7
71.58500	1.2
71.58907	2.5
73.02908	4.2
75.18250	1.3
75.20295	1.4
77.30429	1.5
79.05499	12.5
81.03415	8.1
81.07054	18.1
83.04973	5.9
83.08617	13.3
85.02905	23.6
85.03378	2.8
85.06527	2.8
86.09690	2.5
86.10193	1.3
87.04461	9.2
91.03961	3.1
91.05465	7.7
91.69953	1.5
91.85314	1.4
93.07028	7.4
95.04966	2.2
95.08607	9.5
97.02893	9.2
97.06531	2.7
97.10170	26.4
99.04454	2.9
103.03947	4.6
105.07010	2.6
107.04942	3.6
107.08595	11.4
108.08109	5.7
109.02869	5.4
109.06527	1.3
109.10157	71.5
111.04440	1.6
111.08058	2.4
119.04999	2.0
119.08570	5.6
120.08128	1.7
121.06509	1.7
121.10145	1.6
123.08072	2.3
125.09628	31.3
127.03952	7.6
135.08098	2.1
135.11676	2.1
137.05962	7.1
137.09610	8.7
143.10674	5.2
145.02745	1.6
145.10100	2.7
147.04413	2.7
149.09613	2.8
151.11237	1.5
153.12671	2.2
155.10669	7.9
155.11798	1.3
163.11153	5.1
173.11751	48.9
177.05573	3.2
180.06467	1.2
181.12242	3.3
191.10674	2.0
191.14290	1.9
199.13295	4.1
209.11736	2.8
210.15674	2.0
217.14323	4.4
227.12737	5.3
229.14355	100.0
246.14966	3.0
283.15610	2.0
301.16446	10.5
303.04681	1.9
311.20364	2.6
319.17532	31.8
337.18536	2.6
354.24670	2.2
357.07874	1.5
463.21957	6.3
507.11389	1.5
516.22412	2.5
516.29498	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.3
54.53407	3.0
55.01863	4.0
55.05511	22.4
57.03441	12.4
57.07056	3.5
57.18205	2.6
61.02917	9.4
62.09533	2.4
65.03938	4.2
67.05505	86.6
69.03425	11.5
69.07068	21.6
70.44379	9.1
71.01353	2.9
71.05015	3.6
73.02921	5.7
79.05500	56.3
81.03409	9.6
81.07059	100.0
83.04971	5.1
83.08619	12.7
85.02897	10.3
85.06533	4.4
91.03933	6.3
91.05476	32.9
93.07048	58.6
95.04965	10.8
95.08611	78.8
97.02885	9.3
97.06542	3.9
97.10149	7.5
99.08134	3.0
105.04547	2.6
105.07034	30.1
107.08600	42.4
109.06525	8.5
109.10159	42.5
111.08076	7.3
117.07038	13.5
119.08586	29.8
121.06499	5.8
121.10147	37.2
123.08064	8.5
123.11692	18.1
125.09621	4.8
129.05479	3.3
129.07010	6.3
131.08566	31.7
133.10129	21.7
135.08080	4.7
135.11699	24.7
137.05933	2.7
137.13235	7.0
139.11208	3.0
143.08597	5.2
145.10114	23.3
147.11685	16.5
149.09569	6.6
149.13292	20.1
151.11240	4.1
151.14749	3.6
153.12723	2.7
157.10120	3.6
159.11713	20.7
161.09561	5.5
161.13237	14.3
163.14786	10.8
171.11716	6.5
173.13257	16.0
175.11270	2.9
175.14821	3.8
177.12796	5.4
177.16330	5.7
179.14467	2.7
183.11774	3.5
185.13300	3.7
187.14813	11.7
191.14255	4.2
197.13292	2.8
201.16385	3.1
243.21132	19.5
247.41978	2.8
261.22174	61.7
273.22067	3.0
279.23273	6.9
285.22067	2.7
291.23062	3.0
301.21661	7.0
303.23203	5.5
317.24921	4.5
327.23044	3.6
335.25812	26.6
345.24460	6.2
353.26907	25.4
369.24295	9.1
387.25186	6.6
405.26309	6.2
419.27936	12.2
443.28110	4.2
461.28937	7.0
479.29953	3.3
497.31137	16.5
515.26221	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18949	3.1
53.03931	6.3
55.01862	3.8
55.05513	26.6
57.03423	13.5
57.07041	4.2
61.02915	10.9
65.03941	5.5
67.05507	95.9
69.03419	22.3
69.07073	29.6
69.77237	3.6
69.87644	5.8
69.88050	18.9
71.04991	7.8
77.13318	3.2
79.05493	63.8
81.03408	18.2
81.07056	100.0
83.04976	5.6
83.08615	10.6
85.02895	13.8
85.06520	4.0
91.03934	5.8
91.05479	54.9
93.07050	79.0
95.04942	13.4
95.08614	74.0
97.02869	9.3
97.06519	8.9
97.10136	4.5
99.04486	3.4
99.08086	7.8
103.03922	5.0
105.07043	40.0
107.04958	5.7
107.08596	52.5
109.06512	9.9
109.10149	36.2
111.08083	4.0
117.07042	24.4
119.08574	30.9
121.06501	4.2
121.10143	42.7
123.08060	4.4
123.11712	16.7
125.09570	3.4
129.06990	11.2
131.08583	32.9
133.06479	6.6
133.10156	32.2
135.08026	5.5
135.11687	33.1
137.09541	5.8
137.13286	4.5
139.11197	4.3
143.08557	11.9
145.06593	5.7
145.10124	34.4
147.08060	5.1
147.11667	24.2
149.09619	7.1
149.13272	19.7
154.26569	3.2
155.08537	4.8
157.10065	10.5
157.24281	3.4
159.08023	5.5
159.11714	25.2
161.09612	5.4
161.13249	15.5
163.11159	4.1
163.14812	14.4
169.10170	3.2
171.11703	9.8
173.13263	20.4
175.11185	5.0
175.14841	7.4
177.12752	5.1
179.14328	3.4
183.11734	8.8
185.09676	4.8
185.13277	5.5
187.14761	10.9
189.12738	4.1
199.14828	9.1
201.12650	5.5
201.16313	5.1
217.15820	4.7
227.14462	5.0
243.21065	24.2
261.22159	73.6
273.22128	4.2
277.21918	4.5
279.23187	4.5
285.22092	5.0
301.21576	9.9
303.23239	9.6
317.21539	4.2
319.22794	3.6
325.10629	3.5
327.23004	4.8
335.25851	9.1
341.24850	3.8
345.23965	8.6
351.25381	3.3
353.26852	34.2
369.24295	17.4
387.25174	13.7
405.26321	12.2
419.27884	5.7
427.11319	3.6
431.28214	5.1
443.27618	8.4
461.28943	13.7
479.29852	10.4
497.30878	22.8
518.40137	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05510	17.6
57.03431	11.1
57.07076	3.3
57.79706	2.3
61.02913	7.4
65.03924	3.0
67.05504	83.6
69.03424	6.2
69.07071	18.8
69.32581	6.7
69.32983	22.0
71.05777	2.5
71.71039	2.2
73.02916	3.5
74.65636	2.4
79.05494	59.3
80.63336	2.3
81.07057	100.0
81.57136	3.1
83.04967	2.5
83.08601	8.4
85.02889	7.8
85.06544	4.0
91.05478	27.0
93.07040	70.3
95.04967	8.0
95.08606	68.6
97.02901	4.4
97.06538	4.5
97.10236	2.5
105.07033	26.3
107.08597	43.0
109.06475	5.7
109.10149	39.6
111.08124	3.9
111.78857	2.3
113.09655	2.7
117.07018	13.2
119.08580	20.0
121.10146	32.9
123.08038	4.2
123.11691	16.4
129.07040	3.7
131.08565	23.6
133.10156	14.1
135.08083	3.3
135.11696	31.6
137.09589	4.4
137.13199	3.8
139.11165	4.1
143.08566	4.6
145.10175	20.6
147.11668	13.5
149.13243	18.8
159.11688	17.9
161.13264	14.0
163.11212	3.2
163.14862	12.2
169.10243	2.9
171.11719	5.3
173.13283	15.1
175.14833	5.3
177.12700	3.2
177.16389	4.8
187.14836	9.9
233.22569	3.8
243.21080	25.4
261.22131	72.5
279.23215	5.6
300.14438	2.7
303.23279	3.0
306.28018	3.9
317.24652	2.7
335.25815	24.4
353.26877	19.2
369.24277	4.4
419.27747	4.2
443.27890	2.9
461.29398	3.4
497.31128	7.4
515.37701	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01873	3.0
55.05511	17.8
57.03441	8.8
57.07060	6.1
61.02925	3.4
65.03929	3.1
67.05506	84.8
69.03094	1.4
69.03428	8.8
69.06780	1.8
69.07070	20.6
69.33762	5.0
69.34179	11.6
71.01339	1.7
71.04977	4.2
71.08612	1.9
73.02907	2.9
75.04434	2.3
79.05495	59.3
81.03407	5.9
81.07056	100.0
83.04961	4.0
83.08631	8.6
85.02888	7.4
85.06541	3.2
91.05482	35.5
93.07045	72.0
95.04987	7.8
95.08611	67.9
97.02887	3.8
97.06519	5.9
97.10159	8.6
99.04442	2.0
99.08086	5.0
103.05443	1.6
105.07030	31.7
107.04993	1.7
107.08600	45.4
109.06501	5.9
109.09459	2.5
109.10157	37.8
110.61512	1.4
111.04409	1.9
111.08085	2.4
112.36536	1.4
113.09647	1.5
117.07030	15.3
119.08582	28.4
121.06470	2.4
121.10141	42.8
123.08044	2.6
123.11710	17.2
125.09668	2.5
129.06998	4.3
131.08574	28.7
133.10132	24.7
135.08008	3.6
135.11703	34.3
137.09615	5.4
137.13246	5.5
139.84406	1.6
141.99481	1.5
143.08559	4.7
145.10117	23.6
147.07954	1.8
147.11674	15.6
149.09555	2.9
149.13264	23.5
151.11197	2.3
151.65620	1.9
155.08525	2.7
157.10107	4.4
159.11694	18.4
161.13278	13.3
163.11133	1.9
163.14812	14.6
165.12733	2.9
169.10074	1.9
171.11684	4.8
173.13269	22.3
175.14900	4.5
177.12747	2.4
177.16362	4.5
181.10106	2.5
185.13200	3.8
187.14784	10.6
191.14287	2.3
197.13400	2.1
201.12636	1.5
201.16399	2.8
204.25119	1.7
205.15865	2.1
215.17847	2.0
219.17395	2.4
233.22617	3.8
243.21074	30.6
259.20590	1.8
261.22147	90.9
267.70432	1.9
273.22061	2.2
279.23056	2.8
285.22171	3.4
289.21497	1.8
291.23212	1.9
301.21365	3.4
303.23199	2.5
315.23264	1.9
317.24698	1.7
327.23221	2.9
335.25809	10.9
345.24283	2.8
353.26895	24.2
369.24210	6.1
377.26886	2.4
387.25348	3.1
405.26389	4.9
419.27814	2.7
437.29105	2.4
443.28021	3.3
461.28964	4.5
479.29883	4.8
497.31006	5.5
515.37488	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20847	2.7
51.35129	2.6
53.03940	5.8
55.05515	4.2
56.09899	3.0
57.03438	3.1
57.07079	3.3
61.02916	4.6
67.05498	7.0
69.03081	4.1
69.03432	61.1
69.07066	6.2
70.06596	4.2
71.05022	6.2
71.59815	5.3
79.05509	6.6
81.03423	18.2
81.07050	7.7
83.04971	6.9
84.14535	2.9
85.02426	5.0
85.02908	53.1
85.06548	4.9
87.04545	2.8
88.78858	2.9
89.03883	3.8
91.05491	14.4
93.07043	10.9
95.04958	5.2
95.08608	12.6
97.02905	31.9
97.06534	10.5
99.04479	29.3
103.03956	51.5
105.07042	9.8
107.04960	6.3
107.08612	19.3
109.02869	21.1
109.06493	9.3
109.10139	9.5
111.08129	5.7
116.01769	2.9
117.03391	6.0
117.06993	4.1
119.04994	5.0
119.08573	9.4
121.06522	5.4
121.10156	15.6
122.06052	5.6
123.08063	2.7
123.11693	9.7
125.09648	24.9
127.03934	60.1
131.08554	8.1
133.10143	7.7
135.04451	3.0
135.08061	18.2
135.11668	5.6
137.05972	10.3
137.09688	3.8
145.02849	19.1
145.04976	29.4
145.10094	6.6
147.04430	13.1
147.11688	4.9
149.09651	8.6
149.13254	5.4
153.09116	8.2
158.10915	6.0
161.01070	2.8
161.09581	3.2
161.83766	3.1
163.06044	28.7
163.11136	4.5
163.14793	5.8
165.12733	4.6
173.13319	19.7
177.05482	37.6
191.14325	98.7
209.15372	100.0
214.00940	2.8
233.23035	3.0
234.56514	3.6
293.08109	4.0
307.10071	5.1
453.20554	6.9
515.20453	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	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01863	1.6
55.05511	3.0
57.03440	1.7
57.07084	1.6
60.03379	0.9
61.02922	2.0
67.05498	4.5
69.03430	11.2
69.07079	3.5
69.48957	7.9
71.05000	1.8
75.28812	0.8
79.05501	8.8
81.03426	6.0
81.07061	10.6
83.04985	5.0
83.08616	2.0
85.02910	16.8
86.09726	0.9
89.03941	2.3
91.05470	7.7
93.07060	6.2
95.04971	3.7
95.08616	3.0
97.02894	9.1
97.06535	2.1
99.04463	8.2
103.03944	18.0
104.17511	0.9
105.07027	9.0
107.04970	7.4
107.07875	1.7
107.08601	31.1
109.02891	7.5
109.06509	4.9
109.10166	6.0
115.05500	1.8
117.03368	8.4
117.06999	2.5
119.04979	1.5
119.08577	3.8
120.08128	1.0
121.06499	2.6
121.10147	11.3
122.06062	2.6
122.07290	5.0
123.08055	1.6
123.11728	1.1
125.09682	1.0
127.03925	23.2
131.08592	3.2
133.10136	99.4
135.04456	2.0
135.08063	10.9
135.11664	2.0
137.06038	5.0
137.09625	57.6
143.08580	1.6
145.02870	19.7
145.04948	11.6
145.10147	2.4
147.04422	2.3
147.11710	4.2
149.06007	3.4
149.09627	2.7
149.13280	9.1
150.18761	1.0
158.10951	1.6
163.06017	11.1
163.14818	2.2
169.04782	1.2
173.13258	6.7
177.05490	44.8
188.71455	1.0
191.14322	100.0
205.07115	1.0
209.15306	6.1
271.08148	2.1
289.09262	2.3
303.08560	2.0
307.10187	2.9
335.18573	1.1
431.15903	1.1
453.20844	2.3
515.20966	8.2
515.27869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
54.01197	0.6
55.01877	0.7
55.05519	2.2
57.03439	0.8
57.07092	0.9
58.59972	0.7
61.02944	0.7
65.03945	0.8
67.05505	2.1
69.03424	7.4
69.07076	2.4
69.44067	6.2
70.06604	0.9
71.04996	0.9
71.10561	0.7
79.05501	6.1
81.03424	3.9
81.07056	9.5
83.04988	2.5
83.08638	1.2
85.02905	10.3
89.03925	0.8
91.05473	4.9
93.07034	3.7
95.04964	2.5
95.08627	2.8
97.02888	5.5
99.04453	6.8
103.03940	13.5
105.07043	6.7
107.04953	6.6
107.08592	21.7
109.02879	5.4
109.06532	2.5
109.10155	4.8
115.05439	1.2
115.90568	0.6
117.03383	3.3
117.07049	1.8
119.08594	2.5
121.06522	2.5
121.10141	11.2
122.06059	0.7
122.07255	4.6
123.08058	1.8
127.03915	18.3
131.08565	2.7
133.10129	95.5
135.08046	8.1
135.11671	1.5
137.09618	48.2
145.02873	7.4
145.04951	14.0
145.10106	1.3
147.04402	1.0
147.11668	2.4
149.09528	0.7
149.13255	10.1
151.11159	1.1
158.10938	1.2
163.06017	11.1
163.14877	2.3
165.12753	1.3
169.05029	1.0
173.13245	4.6
175.11197	0.9
177.05475	17.6
187.05959	1.2
191.14304	100.0
205.07095	1.5
209.15370	10.7
271.08102	2.0
289.09137	2.0
303.08575	2.5
307.10269	2.2
372.12015	0.8
372.71832	0.9
372.76166	0.9
407.57880	0.8
447.99130	0.8
483.15442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05502	0.6
58.70255	0.3
62.30795	0.4
63.02377	0.3
66.01262	0.3
67.01866	1.7
67.05498	1.1
69.03423	1.8
69.07058	0.5
70.06579	0.4
71.04993	0.6
71.58579	0.5
79.05486	1.2
81.03419	2.6
81.07055	1.7
83.04996	0.7
85.02914	3.1
89.03923	4.6
91.05482	1.7
93.07037	1.2
95.04948	0.8
95.08611	0.7
97.02897	1.8
99.04456	1.3
100.11255	0.5
103.03943	1.9
105.07027	1.6
107.04942	1.0
107.08597	2.9
109.02884	6.4
109.06529	1.1
109.10162	1.0
117.03384	15.0
117.06992	0.4
119.04933	0.8
119.08551	1.0
121.06493	0.6
121.10155	1.5
122.05988	0.5
122.07281	0.5
123.08089	0.4
125.09634	0.3
127.03928	8.6
131.08551	0.5
133.10138	7.8
134.03633	1.0
135.04449	1.5
135.08015	1.4
137.05984	1.1
137.09624	4.8
145.02847	43.8
145.04918	1.3
145.10094	0.5
146.03165	0.4
147.04390	2.4
147.11668	0.4
149.05984	5.0
149.09608	0.8
149.13248	1.4
151.11194	0.9
153.25485	0.3
158.06126	0.3
159.11710	0.3
163.03864	0.6
163.06029	1.2
163.11218	0.4
165.12729	2.7
173.13280	0.7
177.05473	100.0
178.05865	0.7
186.05457	1.5
191.14291	7.4
209.15353	8.3
213.09001	0.4
239.63126	0.3
243.06642	0.4
251.07089	0.4
271.08151	0.3
285.07492	1.7
303.08661	11.0
307.30594	0.3
372.11981	0.7
380.57877	0.3
400.11151	0.7
515.15015	0.4
515.20392	1.1
515.27747	0.6
515.37512	0.7
524.14001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01868	0.6
55.05512	0.8
57.03431	1.0
57.07061	0.7
59.04999	0.6
61.02917	1.2
65.03939	0.4
67.05510	1.8
69.03077	0.5
69.03431	8.0
69.07055	1.6
70.06593	0.5
70.18690	0.7
70.19063	1.9
71.04969	1.1
71.08641	2.1
72.08959	0.7
72.61081	0.4
73.02908	0.9
79.05479	1.3
81.03418	6.9
81.07059	3.3
82.03698	0.3
83.04964	1.7
83.08597	0.5
85.02906	13.9
85.06533	0.5
86.03236	0.6
91.03948	0.6
91.05489	1.9
93.07058	2.2
95.04984	2.3
95.08588	3.1
97.02895	6.8
97.06540	0.7
99.04454	7.0
99.08090	5.6
100.08415	1.5
103.03941	9.9
105.07035	3.2
107.04955	1.1
107.08588	7.7
109.02877	5.1
109.06513	3.9
109.10149	2.0
111.08031	0.4
117.03339	0.5
117.06992	0.5
119.04917	0.6
119.08592	2.6
121.06517	0.9
121.10143	8.5
122.07266	1.2
123.08051	3.9
123.11691	2.5
125.09612	0.5
127.03918	16.0
129.12816	0.6
131.08539	0.7
133.10104	2.5
135.08014	2.0
135.11719	0.8
137.05992	1.1
137.09627	9.2
137.13237	0.9
138.59598	0.4
145.01706	0.4
145.02835	1.6
145.04961	7.7
145.10117	0.8
147.04428	1.4
147.11729	2.0
149.09627	5.9
149.13255	5.5
151.11182	9.4
158.11005	0.5
163.03900	0.4
163.06017	3.2
163.14774	0.6
165.12753	35.6
173.13243	1.0
173.15361	2.6
174.15758	2.1
177.05469	3.6
187.06018	1.4
191.14291	7.9
193.15883	1.5
205.07037	0.8
209.15364	100.0
271.08023	0.8
289.09097	0.4
303.08261	0.4
307.10226	0.5
515.25281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
63.02382	0.3
67.01867	2.1
67.05494	0.8
67.25607	0.3
69.03435	0.6
69.07059	0.4
70.03120	1.5
71.04984	0.4
79.05479	0.4
81.03412	2.3
81.07054	0.6
84.04537	0.3
85.02901	1.2
85.06533	0.4
89.03916	5.6
91.05475	1.2
93.07031	0.6
95.04962	0.7
95.08614	0.8
97.02895	1.2
98.20834	0.5
99.04462	1.2
103.05476	0.3
105.07056	0.7
107.08605	0.8
109.02885	5.0
109.10171	0.3
109.66769	0.3
113.21213	0.3
117.03384	17.3
119.04913	0.5
119.08597	1.3
121.06528	0.3
121.10133	1.3
122.05988	0.4
123.00730	0.3
127.03916	5.4
128.61377	0.3
131.04973	0.3
133.10138	0.7
134.03610	1.2
135.04422	1.3
137.05994	0.9
145.02847	45.0
146.03128	0.3
147.04369	0.7
149.05991	6.1
158.06052	0.3
163.03900	0.9
163.14810	0.4
169.01579	0.3
171.67880	0.3
173.13286	0.3
177.05472	100.0
178.05835	1.0
186.05486	1.9
191.14320	1.0
209.15349	2.4
243.06598	0.7
251.06737	0.3
268.73065	0.3
278.05209	0.3
285.07501	1.6
293.08072	0.7
303.08624	11.6
347.09482	0.9
367.24921	0.3
515.20947	4.2
517.43756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77635	0.5
53.03941	1.4
53.41962	0.4
55.01869	1.5
55.05509	1.0
55.06158	0.5
57.03433	3.1
59.05002	1.3
59.22377	0.5
59.87954	0.4
61.02679	0.6
61.02935	5.2
67.05512	0.9
69.03432	10.2
69.07065	4.6
71.04992	1.9
71.08633	40.0
71.59500	0.9
73.02921	1.9
79.05470	0.8
81.03413	6.3
81.07066	1.8
83.05016	0.6
85.02905	62.6
85.06518	0.6
86.03243	0.8
86.09719	0.5
87.04469	1.2
91.03956	3.6
91.05476	1.2
93.07063	0.6
95.05034	0.8
95.08635	1.2
97.02898	16.0
97.06507	0.8
99.04461	4.1
99.08093	100.0
100.08434	0.6
103.03986	2.4
105.07017	1.0
107.08592	1.7
109.02211	0.7
109.02885	7.3
109.06547	1.2
109.10102	0.5
115.03844	0.5
117.03361	0.7
117.09173	0.6
119.08562	0.5
120.08095	0.8
121.06497	0.5
121.10153	1.4
122.06065	0.6
123.08099	0.8
123.11752	0.6
127.03922	20.7
129.12759	19.0
131.08627	0.6
135.04379	0.5
137.05981	1.4
137.09612	1.6
142.17593	0.6
145.02983	0.9
145.04962	27.6
147.04430	1.9
149.09532	0.7
151.11172	1.1
155.08543	0.7
155.14313	3.0
163.03867	0.6
163.06030	10.2
163.11218	0.7
165.12743	5.3
169.52623	0.6
173.15378	94.8
174.15715	0.7
177.05467	2.6
184.07599	0.6
191.14317	1.1
209.15382	12.7
233.65939	0.5
261.08118	0.6
279.03812	0.6
289.09094	1.0
325.11270	1.1
496.23187	0.5
496.33368	0.6
514.26215	0.5
515.19305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92163	0.9
53.03955	1.6
55.01865	2.4
55.05516	4.7
57.03436	3.4
61.02922	3.2
65.03950	1.0
67.05508	8.4
68.82669	0.9
69.03431	5.1
69.07072	2.2
71.04982	3.7
71.11499	2.3
71.14412	0.9
73.02920	1.4
79.05500	9.4
81.03423	82.4
81.07057	9.1
83.04982	4.1
83.08625	19.5
84.08112	1.3
85.02920	5.5
89.03907	1.6
91.03952	1.1
91.05479	11.2
91.86321	1.1
93.07050	5.6
95.04977	27.7
95.08617	4.0
97.02895	6.1
97.06522	1.5
97.10138	2.0
99.04498	1.2
103.03935	1.9
105.07037	10.0
107.04963	7.3
107.08585	4.2
109.02898	2.6
109.06493	2.5
109.10135	2.4
111.04453	2.2
111.08095	11.2
113.06057	1.1
115.05446	1.5
116.98640	1.2
117.03352	1.4
117.07025	1.4
118.23434	0.9
119.04903	2.7
119.08578	11.1
120.08118	1.2
121.06497	2.0
121.10140	5.9
123.08073	2.5
125.09646	1.0
127.03922	5.0
129.07004	7.0
130.60008	0.9
131.08566	6.0
133.06523	2.7
133.10127	9.6
135.04430	1.0
135.08006	1.0
137.05948	1.5
137.09636	3.9
142.07747	2.2
145.02856	3.4
145.04929	2.1
145.10123	2.7
147.03394	1.2
147.04381	4.8
147.08023	1.7
147.11667	6.3
149.06017	1.2
149.09639	5.8
151.03914	1.3
157.10155	10.6
159.11757	1.0
163.11266	1.5
165.12836	1.4
171.26973	1.0
175.11211	12.7
177.05501	9.2
189.12779	1.1
191.14352	4.6
193.12257	63.7
209.15343	1.3
211.13306	4.4
235.13326	1.7
251.08693	1.2
267.15912	32.8
270.48849	1.0
273.14767	1.1
285.16980	100.0
299.18503	2.4
301.14438	1.4
309.16885	8.1
346.47229	1.1
351.18018	1.1
363.18094	2.9
393.19067	1.9
411.20099	1.2
496.33969	1.6
515.20581	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34314	1.3
53.03939	3.5
55.05508	4.4
57.03432	4.2
61.02920	3.4
65.03941	1.4
67.05507	8.8
69.03429	1.7
69.07058	2.4
69.71795	3.0
69.72208	7.0
71.04983	1.7
79.05482	8.0
81.03419	89.0
81.07052	9.5
83.04978	3.7
83.08615	20.1
85.02924	3.8
85.06548	1.7
91.05492	10.4
93.07043	4.4
95.04976	27.3
95.08578	3.2
97.02888	5.7
97.06529	1.8
97.10185	2.7
99.04468	1.3
105.07047	8.9
107.04971	6.8
107.08575	3.1
109.02892	1.7
109.06493	3.3
109.10150	2.3
111.04456	3.4
111.08070	7.6
117.07020	1.5
119.08578	9.4
121.06515	1.5
121.10148	2.9
123.08083	1.7
125.09623	1.7
129.07031	7.3
131.08636	7.4
133.06531	2.5
133.10133	3.7
142.07811	1.7
147.04440	2.1
147.08008	1.7
147.11684	8.7
149.09608	5.1
157.10124	11.9
163.11188	2.5
165.12830	2.2
175.11183	13.3
177.05492	2.8
189.12718	1.5
193.12244	70.7
194.12498	1.7
211.13280	4.4
226.46959	1.5
235.13318	1.5
263.79880	1.4
267.15915	43.6
269.65497	1.5
285.16956	100.0
286.17355	1.7
309.16980	12.6
324.09558	1.4
363.18066	2.4
373.63535	1.6
375.18015	2.0
393.18921	2.6
411.20279	2.1
425.26965	1.5
429.21173	6.1
515.21112	9.0
525.68536	1.6
527.05859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24051	5.1
53.03941	9.4
55.01855	6.4
55.05502	25.1
56.96560	7.0
57.03445	37.4
58.72218	5.8
61.02909	23.8
67.05509	58.4
67.76263	6.4
69.03425	24.6
69.07071	20.0
71.04984	18.3
71.58647	8.0
73.02894	12.3
76.07041	5.5
79.05486	61.4
81.03403	22.6
81.07063	78.6
83.04984	11.7
83.08607	13.8
85.02915	46.2
91.03941	15.5
91.05473	52.8
93.07045	79.5
95.04950	18.2
95.08605	65.9
97.02872	29.2
97.06484	8.6
97.10143	7.6
99.04451	11.5
103.03944	7.5
105.07050	56.5
107.08598	61.9
109.02869	10.7
109.06524	6.1
109.10138	19.9
110.59198	5.7
111.08099	5.5
117.07007	20.8
119.08580	33.5
121.10132	35.3
123.08019	7.8
123.11723	12.5
125.09606	7.2
127.03909	21.1
129.05515	6.3
129.06949	7.1
131.08557	28.2
133.10162	28.6
135.11679	27.0
137.05939	6.5
143.08586	11.6
145.10110	24.1
147.11673	21.3
149.13229	18.1
157.10115	9.1
159.11710	20.9
161.13249	14.6
171.11650	7.4
173.13260	17.0
175.14893	7.0
177.12769	5.9
184.07327	6.6
185.13184	9.9
187.14807	11.0
195.66580	4.9
199.14729	6.2
202.06053	5.9
241.19518	14.0
259.20541	37.7
277.21576	39.7
351.25266	100.0
351.29257	4.5
370.93448	6.8
397.27527	6.4
453.16046	5.8
477.28922	7.2
495.29086	6.5
513.30542	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	513.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01871	1.7
55.05517	8.5
57.07077	5.9
65.03934	1.1
67.05508	18.6
69.07066	7.2
70.06567	1.0
71.08615	4.0
71.58637	1.4
71.59013	1.1
79.05492	13.1
81.07056	17.9
83.04980	1.6
83.08601	4.8
85.06538	1.3
85.10172	2.5
88.07600	1.6
89.06034	5.0
91.05480	12.8
93.07040	16.1
95.04958	1.7
95.08601	11.8
97.06531	2.3
97.10165	3.1
105.07034	18.9
107.08597	10.0
108.63014	0.9
109.10123	5.3
117.07024	8.9
119.08588	12.7
121.10137	4.1
123.08078	1.3
123.48679	0.9
125.09681	1.4
128.06215	2.3
129.07014	8.3
131.08586	12.3
133.08574	3.0
133.10126	10.5
135.08026	1.5
135.11693	4.0
141.06990	3.2
142.07788	1.9
143.08571	11.5
145.10106	13.2
147.11687	4.9
149.13136	1.4
155.08533	6.3
157.10109	10.4
159.11716	8.7
161.13304	1.8
167.08513	1.7
169.10164	7.0
171.11682	8.9
173.13269	5.6
175.11082	1.1
175.14818	1.3
179.60793	1.0
181.10159	3.9
183.11696	7.8
185.13254	5.9
195.11658	2.5
197.13268	6.1
199.14848	4.2
207.11649	1.3
209.13295	3.0
211.14865	3.6
221.13295	2.3
223.14922	2.3
225.16347	2.9
235.14912	1.6
237.16522	1.7
241.19443	1.5
249.16428	1.3
251.18037	1.2
256.26382	2.1
261.18457	2.5
265.19568	1.2
269.18988	1.4
275.20132	1.1
283.26477	1.7
284.26794	2.3
297.22256	1.4
309.22214	1.8
315.23242	2.6
327.19983	1.1
327.23450	1.4
335.23795	1.0
403.30014	5.1
421.31012	12.6
439.32217	3.8
442.79608	1.5
457.33261	3.3
459.32730	1.3
495.34833	7.7
496.38971	2.1
513.35779	100.0
513.50659	6.0
514.36029	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	514.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	1.2
53.62605	0.6
55.01918	4.5
55.05561	12.6
56.96622	1.9
57.03487	5.3
57.07108	0.9
59.05029	1.0
61.02980	2.6
65.03996	0.7
67.05174	1.3
67.05507	19.8
67.39186	0.6
69.03424	3.6
69.07066	4.0
69.81841	3.6
70.06586	3.8
71.01357	9.3
71.05054	2.8
73.02975	2.2
79.05495	16.5
81.03421	3.7
81.07059	13.9
83.04996	4.8
83.08624	6.3
84.04530	0.8
84.08246	0.6
84.96045	3.3
85.02901	5.6
85.06594	0.9
86.09743	1.4
87.00886	1.1
87.04509	0.7
91.04014	1.0
91.05486	11.5
93.07044	9.9
95.04975	5.0
95.08603	5.2
97.02877	3.5
97.06625	2.5
97.10167	8.9
98.97570	3.9
99.00864	1.0
99.04499	0.8
105.07036	7.3
107.05008	1.6
107.08598	11.2
109.02949	2.2
109.06607	2.5
109.10171	11.3
111.04496	1.2
111.08159	1.2
112.07719	0.8
113.06096	0.6
115.05579	0.7
116.98629	4.0
117.07022	4.2
119.08588	7.0
121.06556	1.2
121.10246	1.3
123.04476	1.6
123.08163	2.5
123.11718	0.8
125.09638	7.8
127.03983	3.0
129.05580	0.8
129.07062	0.7
131.00232	2.1
131.08626	1.8
133.10138	6.2
134.99725	2.2
135.08075	5.3
137.06062	2.4
137.09673	1.5
139.11194	1.3
143.08630	2.4
145.05038	0.9
145.06544	1.0
147.04478	0.8
147.08105	1.2
149.01303	3.2
149.09653	1.5
151.07597	1.0
151.11302	1.9
153.09138	3.8
158.99733	1.6
159.11763	1.1
160.00058	0.9
161.09633	4.6
161.13223	1.2
162.99269	0.9
163.04016	1.1
171.08037	1.3
171.10240	1.7
171.11728	1.2
173.01263	2.0
175.11263	0.6
177.00722	4.0
178.04985	1.5
179.10677	3.6
181.22516	0.6
184.07355	1.1
188.14395	1.4
189.09172	6.4
189.11266	2.9
189.12811	1.0
191.02336	2.3
197.11754	2.5
204.14005	0.7
207.10150	5.4
207.13748	0.8
215.12920	0.9
219.01964	1.2
223.85495	0.7
225.11229	18.6
225.13344	1.1
227.12778	10.6
230.15472	1.6
243.12338	4.5
245.13873	2.3
248.16464	2.5
265.11145	2.1
266.11435	2.0
266.17685	0.8
279.08652	0.7
281.10742	0.7
281.13849	14.2
283.12152	0.9
299.14890	100.0
300.15811	1.3
307.12106	2.3
308.12473	4.3
317.15939	16.4
321.13596	1.2
322.14023	2.1
326.13605	1.5
349.12985	1.4
350.13495	3.0
368.14410	1.4
428.16702	1.5
461.19809	2.5
470.19339	2.3
514.17456	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66850	4.7
55.01867	6.4
55.05503	6.3
57.03438	5.6
57.80278	4.7
61.02923	25.5
64.22993	5.1
67.05505	30.6
69.03434	7.9
69.07076	8.7
70.72032	19.9
76.85649	4.6
79.05515	28.6
81.07057	22.6
83.04983	6.1
83.08630	8.5
85.02917	27.5
91.03947	17.7
91.05479	34.3
93.07062	33.5
95.08616	23.5
97.02903	16.0
97.06504	6.5
105.07024	38.6
107.04970	6.4
107.08600	16.6
109.10122	12.6
111.08073	5.7
117.07048	13.1
119.08578	28.5
121.10155	15.6
127.03867	5.6
129.07008	8.6
131.08530	12.9
133.10132	24.3
135.11694	14.4
143.08612	9.1
145.10161	14.9
147.11719	25.7
149.09607	7.4
149.13257	9.4
159.11716	17.1
161.13300	17.4
164.00499	5.8
171.11714	8.2
173.13287	6.1
175.14842	8.8
185.13252	8.1
241.19562	16.4
256.26300	6.6
259.20654	41.0
263.30673	5.3
295.29565	5.3
349.24231	5.9
351.25293	100.0
477.28638	6.5
512.50415	27.4
513.31750	6.6
513.50604	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03949	2.3
55.05509	5.6
57.03432	6.1
61.02932	11.7
66.31107	2.1
67.05511	20.2
69.03420	5.3
69.07053	6.2
70.41964	1.9
70.50896	5.5
70.51248	4.1
73.02912	5.2
79.05498	22.9
81.03439	2.7
81.07053	25.0
83.04973	2.2
83.08615	4.3
85.02909	10.6
91.03976	6.4
91.05482	22.4
93.07045	37.9
95.04996	3.6
95.08608	15.8
97.02918	6.7
101.02467	2.0
105.07034	18.7
107.08607	23.0
109.10179	5.8
117.07056	7.3
119.08586	26.8
121.10165	17.6
123.11738	2.5
127.03931	2.5
129.07019	3.7
131.06308	2.1
131.08575	10.9
133.10143	21.3
135.11688	16.3
143.08577	6.0
145.10129	10.0
147.11673	17.7
149.13266	12.4
157.10124	4.7
159.11673	11.0
161.13284	12.2
163.14854	3.9
171.11761	3.5
173.13307	4.2
175.14801	4.7
177.12823	2.6
185.13318	5.9
187.14876	2.8
199.14857	2.7
203.14073	2.3
219.17407	4.4
221.18089	2.7
231.21114	2.7
241.19479	16.5
259.20624	34.8
277.21680	5.7
309.37543	2.1
314.49579	2.2
333.24304	8.7
351.25320	100.0
375.25198	2.2
417.26126	2.3
439.09686	2.4
441.26312	6.4
477.28577	3.8
495.29529	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78235	1.1
55.05514	7.2
57.03433	3.6
61.02934	10.1
62.35596	1.1
67.05173	1.3
67.05504	16.8
69.03406	4.0
69.07068	7.3
69.43816	2.7
69.44225	8.1
73.02898	3.4
79.05069	1.5
79.05493	20.8
81.03405	1.3
81.07058	22.2
83.04982	1.5
83.08614	5.1
85.02905	9.9
89.36945	1.1
91.03948	6.0
91.05477	19.5
93.06470	2.5
93.07043	37.5
93.67897	1.1
95.04967	2.7
95.08604	15.1
97.02914	6.9
97.06518	2.3
97.10152	2.4
99.04446	1.5
99.08100	1.3
105.07027	20.4
107.08596	21.1
108.11259	1.1
109.06570	1.3
109.10152	5.9
113.09685	1.2
115.05450	1.4
117.07066	5.6
119.08583	20.9
121.10136	19.1
127.03885	1.6
127.64643	1.1
129.07007	4.6
131.08551	9.9
133.10139	19.2
135.08031	2.5
135.11694	17.0
143.08546	5.8
145.10127	12.8
147.11697	16.6
149.13260	11.9
155.08519	2.3
157.10138	7.5
159.11684	9.3
161.13281	15.8
163.14813	3.3
171.01089	1.3
171.11673	6.5
173.13309	7.3
175.14842	7.9
185.13284	6.3
187.14832	2.5
193.11938	1.3
197.13188	1.5
199.14804	2.9
211.14691	2.0
213.16394	1.8
217.19565	1.9
231.21063	2.4
235.16913	1.5
241.19498	17.6
259.20578	42.5
275.20142	1.9
277.21664	5.7
301.21527	1.5
313.21588	1.7
333.24243	6.6
349.23730	3.8
351.25302	100.0
352.25467	2.0
367.22278	1.7
375.25113	2.6
385.23621	1.3
441.26456	4.3
459.27338	3.9
465.99509	1.2
477.28436	2.4
495.29431	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03947	1.9
55.01886	2.2
55.05508	5.4
57.03434	5.3
57.07065	2.3
61.02933	11.0
67.05507	21.1
69.03425	5.8
69.07062	7.9
70.84789	4.9
71.04988	2.4
73.02913	7.3
79.05500	24.8
81.03427	4.7
81.07054	23.8
83.04987	3.6
83.08624	4.3
83.73580	1.6
85.02892	13.6
85.06496	2.9
85.65273	1.6
91.03958	7.1
91.05481	19.6
93.07047	32.9
95.04980	4.2
95.08605	17.9
97.02895	6.9
97.06569	2.9
105.07040	28.0
107.08584	16.5
109.06515	3.5
109.10161	8.5
111.04443	2.2
113.09547	1.7
117.06998	5.2
119.08580	22.9
121.10136	19.1
127.03941	2.7
127.20354	1.7
129.07005	4.5
131.08583	12.5
133.10123	22.6
135.08060	2.1
135.11723	14.0
137.05988	5.3
137.09631	1.9
143.08582	6.5
145.04918	1.8
145.10132	11.4
147.08012	2.2
147.11696	21.5
149.13266	10.6
157.10117	8.5
159.08139	1.7
159.11700	11.4
161.09595	2.1
161.13272	14.1
163.11275	2.9
163.14864	3.2
169.10191	2.9
171.11732	7.9
173.13261	5.5
175.14806	6.5
184.07327	2.2
185.13272	7.9
187.14862	2.9
193.12373	2.1
199.14751	3.7
217.19452	1.9
231.21056	4.0
239.18057	1.7
241.19521	15.4
259.20560	38.4
261.76651	1.7
271.20432	2.3
277.21661	4.7
301.21533	2.4
333.24240	4.0
349.23923	2.5
351.25299	100.0
363.25049	1.8
367.22662	2.6
385.23825	2.4
441.26224	4.7
459.27383	3.8
477.28525	2.6
495.29526	5.9
513.30011	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01876	2.0
55.05499	6.5
57.03426	5.4
57.07074	1.8
57.41346	1.4
58.36274	1.3
61.02925	10.1
66.52589	1.4
67.05501	18.7
69.03423	3.3
69.07072	7.0
71.04982	2.4
71.10826	2.1
71.11184	3.2
73.02910	4.1
73.06448	1.4
79.05496	29.8
81.03429	2.3
81.07063	26.1
83.08599	4.1
85.02905	9.7
90.74623	1.6
91.03945	6.0
91.05479	19.7
93.07047	40.7
95.04948	4.2
95.08594	15.5
97.02897	8.1
97.06520	2.7
101.02400	1.5
105.07029	27.2
107.04980	1.6
107.08596	23.9
107.63435	1.4
109.02901	2.2
109.10152	10.4
117.07029	6.5
119.08572	24.0
121.09323	2.5
121.10148	20.7
123.08086	2.9
123.11644	2.2
123.80482	1.4
127.03902	1.9
129.07011	5.0
131.08545	11.1
133.10147	20.3
135.11688	19.4
137.09622	2.1
140.54820	1.5
141.77075	1.6
142.07874	1.5
143.08554	6.0
145.10132	14.3
147.08138	1.9
147.11705	21.3
149.13283	10.5
155.08543	2.2
157.10080	7.9
159.11693	11.8
161.13254	16.7
163.14850	4.3
171.11636	7.1
173.13254	8.1
175.11163	2.2
175.14877	7.6
177.12814	1.8
183.11682	1.6
184.07266	2.4
185.13239	5.9
187.14862	2.0
189.86441	1.4
199.14816	2.0
213.16306	2.6
215.18077	1.6
217.19371	2.1
231.17528	2.0
231.21053	3.9
241.19536	19.2
259.20578	37.0
277.21600	7.5
333.24225	7.2
349.23874	2.8
351.25302	100.0
363.25256	1.9
375.25369	2.4
429.26361	3.0
441.26538	5.4
459.27292	3.0
477.28473	3.3
495.29300	2.7
513.29419	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	513.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.4
59.67933	0.3
61.02938	0.4
68.62192	0.3
68.63015	0.3
69.03439	0.7
69.07055	0.6
70.06589	1.4
71.48158	0.3
71.48497	0.5
78.35479	0.3
79.05515	0.8
81.03413	0.7
81.07056	0.9
83.04994	0.7
85.02911	2.1
86.09688	0.5
91.05495	1.1
93.07060	1.1
94.06614	0.4
95.08597	0.5
97.02898	1.1
97.06557	0.5
101.33167	0.3
105.07042	2.1
107.08609	1.0
109.02916	0.8
109.06533	0.6
112.34977	0.3
116.98664	0.4
119.01926	1.0
119.04950	0.7
119.08558	1.6
121.10194	0.6
122.06025	0.8
123.06824	0.5
123.08097	0.4
127.03929	1.1
131.08598	0.5
132.28583	0.4
133.06558	0.4
133.10231	0.8
135.08018	0.4
135.11765	0.4
136.07611	0.5
137.06017	0.4
139.03966	0.3
145.05011	0.6
145.10112	0.5
147.04408	4.3
147.11716	0.7
149.09726	0.4
151.03920	0.5
151.06300	3.4
151.07430	0.5
152.07121	0.6
157.03445	0.4
157.68446	0.3
159.11711	1.2
161.02956	0.7
161.13277	0.5
163.11194	0.5
177.12762	0.4
189.00745	0.4
189.12866	0.6
203.05408	0.7
204.10255	0.4
207.13835	0.4
227.05322	1.2
245.06363	3.8
247.13170	2.1
248.12907	3.3
249.14624	0.4
265.14319	2.2
271.04309	0.8
271.11023	0.3
275.12845	0.3
287.03729	0.4
289.05304	10.7
289.47327	0.4
307.13943	0.8
323.09113	0.5
325.15182	0.8
367.15930	0.7
391.17346	0.5
409.18381	4.5
427.19537	4.5
437.08832	0.3
445.17834	0.4
451.19440	4.3
469.20551	13.8
477.17099	0.4
495.18411	4.4
513.19482	100.0
514.19678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
56.96546	0.7
61.34775	0.5
66.18176	0.6
66.60759	0.6
67.05488	0.7
69.03426	1.0
69.07055	0.7
70.06591	1.4
70.47349	0.6
70.47672	1.8
71.04975	0.7
71.68619	0.5
72.08151	0.7
76.27067	0.6
81.03388	0.7
83.04982	1.7
84.04501	1.1
85.02901	2.5
85.06570	0.6
91.05492	1.3
93.07035	1.1
94.62341	0.6
95.04941	0.9
95.08607	1.0
97.02881	1.0
99.04457	0.6
105.07042	0.9
107.08624	1.2
109.02843	1.7
109.10174	1.0
109.56039	0.6
119.01929	0.8
119.08591	1.8
121.10082	0.6
127.03892	1.4
129.06967	0.6
131.08537	1.5
133.10162	0.7
135.04375	0.6
135.11674	0.6
137.05977	1.9
139.03900	0.8
143.01927	0.6
147.04449	1.7
151.06378	0.7
159.11694	2.7
161.03000	1.6
184.07562	0.6
203.05296	2.2
227.05360	0.8
233.34775	0.6
243.04849	0.9
245.06316	4.8
247.13120	0.7
248.12808	1.1
265.14114	2.8
287.03766	0.7
289.05316	8.9
293.04495	1.3
321.03696	0.6
339.05161	1.5
397.18301	4.1
409.18365	2.3
427.19366	4.6
439.19543	2.7
465.17023	0.8
469.20474	11.5
483.18463	2.5
495.18338	1.0
513.19458	100.0
514.19983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98248	1.7
53.03940	1.7
61.02924	2.5
67.05492	5.1
69.03422	3.8
69.07063	2.4
70.06593	2.1
71.36718	1.3
79.05472	4.9
80.05025	1.9
81.03428	5.0
81.07028	4.6
82.06587	2.0
83.04990	3.9
85.02895	7.0
85.06540	2.0
86.09682	2.0
91.05483	11.7
92.61657	1.3
93.07034	13.2
94.06580	8.7
95.04948	4.4
95.07361	8.2
95.08587	4.9
96.08136	19.1
97.02897	3.8
97.06522	5.9
99.04450	2.3
103.05413	1.8
105.07014	3.7
107.04974	2.0
107.08617	3.2
108.08115	15.4
109.02858	4.4
109.10167	4.7
110.09681	32.3
111.04440	2.2
117.07015	2.2
119.04938	7.3
119.05669	1.5
119.08543	1.9
120.04455	3.0
120.08115	21.2
121.06532	3.0
122.06013	4.9
123.06799	1.9
124.07561	2.5
127.03919	6.1
133.10178	2.7
135.11714	1.4
135.33173	1.4
136.07587	16.3
137.05927	2.7
138.09143	40.2
143.08606	1.3
145.10103	4.2
147.03241	1.8
147.04414	34.3
147.11728	1.8
148.07579	12.3
149.09549	1.7
152.07014	1.6
159.08110	2.0
159.11749	2.5
161.06000	1.8
165.09180	2.5
166.08640	100.0
170.05969	3.1
184.07530	3.6
186.05450	2.9
188.07068	2.5
198.05519	7.1
200.07048	4.5
202.04980	1.8
204.06566	1.9
206.11693	1.7
212.07053	10.2
214.04979	6.7
214.08508	1.5
216.06490	3.2
226.04984	94.9
228.06523	6.0
230.08089	2.6
234.07423	1.7
240.06567	34.7
244.05984	2.3
246.07625	3.8
254.08173	3.7
256.06094	5.8
258.07620	6.1
266.07974	1.6
268.06021	13.9
270.07544	1.9
277.13461	1.8
279.11380	1.6
282.07599	9.9
284.09158	2.5
286.07260	2.3
288.08603	3.5
300.08618	9.3
305.12772	2.0
306.09866	7.2
310.06720	1.6
311.05301	2.2
316.08276	2.7
318.09833	4.3
328.08069	5.6
333.12195	8.6
339.04956	2.3
346.09225	3.7
348.10822	5.1
351.13345	4.2
360.10864	10.0
361.11783	13.8
375.13318	4.2
377.15097	1.9
379.12845	26.3
393.14343	4.5
395.16122	2.8
403.12869	12.4
419.15994	5.4
421.13950	47.0
435.15503	3.5
439.14740	5.0
451.18616	2.1
453.16519	6.0
463.14948	33.1
471.17487	2.3
477.15036	5.1
481.16061	29.1
495.17416	9.2
499.17010	3.3
513.17523	10.8
513.24414	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	513.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
55.18948	0.9
56.96564	6.6
69.03437	2.3
71.59051	1.7
81.03420	2.3
82.87058	0.9
83.04987	1.3
84.92825	0.8
84.96037	7.0
85.02907	3.1
86.09714	1.1
91.05474	1.8
93.07057	1.8
95.04974	1.3
98.97591	12.6
102.96993	1.1
105.07087	1.2
107.08599	1.1
109.02862	1.8
112.99079	2.0
116.98619	10.8
119.04961	1.2
119.08610	1.5
127.03918	2.0
131.00182	6.7
133.10127	1.4
134.99648	5.4
136.58565	1.0
137.06010	1.2
140.98615	1.1
147.04422	7.1
149.01221	6.6
158.99651	4.4
162.99161	2.7
167.02284	1.2
172.02942	1.1
173.01262	4.4
173.13297	1.2
177.00713	7.8
182.36398	1.1
191.02298	6.6
191.14323	1.2
195.01753	1.2
201.00713	1.9
209.04974	1.4
219.01857	4.1
233.03264	1.4
247.10127	2.8
265.11118	8.9
265.13736	1.6
283.12225	5.2
289.05310	1.2
301.13135	1.6
306.13712	1.3
307.12180	18.5
321.13559	5.5
325.13260	7.5
349.13275	10.7
367.14362	3.4
379.14264	1.8
381.15799	1.9
425.21548	3.9
427.16016	5.0
445.17380	3.0
469.20654	18.6
495.16739	3.2
513.18005	100.0
538.84052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02074	2.6
53.03935	13.1
55.01851	10.3
55.05511	31.0
56.95444	3.1
57.03437	28.1
57.07054	3.1
61.02932	21.0
65.03935	4.0
67.05173	4.2
67.05508	71.4
69.03082	3.7
69.03431	52.1
69.07074	26.7
69.31439	22.7
69.31860	7.9
71.01348	5.0
71.04978	12.0
73.02908	8.3
79.05063	4.1
79.05493	62.7
81.03416	86.7
81.07060	100.0
81.15691	2.9
83.04991	27.0
83.08641	15.6
83.58691	2.9
85.02904	35.1
85.06522	6.1
91.03939	5.6
91.04958	5.3
91.05486	57.8
93.06475	4.2
93.07050	68.1
95.04974	15.3
95.08604	45.4
97.02888	50.8
97.06525	14.3
97.10141	6.8
99.04471	16.7
99.08129	2.7
101.02361	3.2
103.03960	6.1
105.07027	57.3
106.22515	2.7
107.04945	13.4
107.08586	42.6
109.02869	14.5
109.06515	11.0
109.10159	23.5
111.04465	6.3
111.08065	8.0
117.07040	23.3
119.08590	45.0
121.06518	9.4
121.10152	22.3
123.08055	5.7
123.11698	8.7
125.09606	7.6
127.03894	21.7
129.05473	8.1
129.06976	11.4
130.07808	2.9
131.04828	3.2
131.08580	36.9
133.10132	40.2
135.08003	6.7
135.11699	15.8
137.05956	8.5
137.09572	5.9
139.11102	2.9
141.06973	3.6
142.07785	3.8
143.08545	10.6
145.04980	7.4
145.06488	3.9
145.10129	28.6
145.25314	3.9
147.08034	6.9
147.11716	18.3
149.09581	9.7
149.13246	12.9
151.11197	7.9
157.10129	12.3
159.08109	3.4
159.11691	29.6
161.09636	3.8
161.13309	6.6
162.85872	3.3
163.11179	12.3
165.12794	7.5
169.10165	5.2
171.11662	8.5
173.04477	30.0
173.09598	4.0
173.11850	5.9
173.13275	13.1
175.11244	6.1
175.14909	4.1
177.12730	5.2
183.11687	4.0
185.13263	7.2
187.11191	4.0
187.14793	3.9
193.12221	7.4
195.13794	14.3
197.13306	4.6
198.14966	5.4
201.12637	4.1
207.13969	3.5
229.14313	6.3
229.19470	7.0
233.15411	5.4
233.19011	3.4
237.42284	3.1
239.17908	9.2
247.20569	8.7
257.19009	17.3
261.77478	3.1
263.19928	3.4
267.15942	5.4
269.17380	9.7
275.20078	52.8
293.21127	5.5
331.22589	5.6
339.18066	4.6
349.23740	71.5
367.24683	3.6
373.23260	4.1
395.20438	3.9
413.21725	49.3
423.49655	3.1
431.26031	5.5
449.27048	7.5
475.26978	3.5
493.28088	14.8
511.22440	5.1
511.29120	66.4
511.41443	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	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01873	1.2
55.05500	1.8
55.77626	0.7
57.03432	2.5
57.32077	0.7
61.02935	3.8
67.05492	3.0
68.05817	0.8
69.03428	11.0
69.07077	1.5
71.05003	6.6
71.08623	2.5
71.24370	0.7
71.59979	1.2
73.02914	2.9
79.05492	3.0
80.98840	0.8
81.02976	1.5
81.03416	16.7
81.07039	2.9
82.74176	0.7
83.04968	2.1
83.08622	1.7
83.35558	0.6
84.08159	0.8
85.02907	61.1
87.04436	0.8
91.03993	0.9
91.05466	2.6
93.07040	2.6
95.05004	1.7
95.08614	1.8
96.08901	1.0
97.02284	1.4
97.02897	25.6
97.06535	1.4
98.97546	1.2
99.04457	36.9
99.08109	4.4
101.06060	1.1
103.03944	79.1
105.07053	1.5
107.08607	1.1
109.02145	1.4
109.02884	19.4
109.10170	4.0
115.03941	1.1
117.06979	1.1
119.08543	0.8
122.02954	0.8
122.06045	2.2
123.04474	1.0
127.03920	100.0
127.11191	1.5
131.08577	1.0
137.05913	1.7
145.04967	53.1
145.12227	5.3
147.04417	2.7
153.12743	1.2
163.06026	62.3
169.04916	1.1
171.13890	2.0
186.07680	1.3
187.06015	6.4
189.14836	1.8
199.13353	1.4
202.17137	0.9
205.07109	3.5
211.13225	1.4
214.37659	0.9
223.13266	1.2
235.13290	2.9
242.85002	0.8
253.07175	1.7
253.14368	2.1
262.71255	0.7
271.08102	10.4
279.15930	1.0
289.09225	8.3
289.16263	0.8
301.12833	0.8
302.17535	1.3
307.10205	14.0
313.16409	1.8
320.18460	1.6
337.73520	0.7
357.18860	1.0
364.21042	1.1
397.18649	1.5
415.19647	4.2
494.28061	2.4
512.29150	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	510.3553
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.27605	0.4
55.05500	0.4
56.05029	1.0
57.03424	0.5
57.07079	3.1
58.06608	1.1
60.08164	16.0
60.53738	0.4
67.05506	0.9
67.48635	0.3
68.07437	0.4
68.22409	0.4
69.07041	0.5
69.79911	1.3
69.80324	1.2
71.07375	6.4
71.08619	1.8
71.47134	0.3
81.07047	0.8
83.08618	0.5
85.10182	0.9
86.09706	47.4
95.08591	1.1
98.20744	0.4
98.98470	2.7
104.10744	100.0
109.10180	0.4
123.11739	0.5
125.00007	27.0
125.66657	0.3
149.15984	0.4
168.55418	0.4
184.07341	97.4
236.58528	0.4
258.11078	1.3
278.41605	0.4
327.28922	1.3
408.81686	0.4
492.34518	9.9
510.35565	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05511	13.3
57.03438	5.4
57.07079	4.1
67.05507	19.0
69.03429	17.5
69.07069	80.1
69.41070	3.8
69.41473	16.6
70.06588	4.9
71.04975	7.0
73.02898	3.7
73.92197	1.9
74.09504	2.0
75.24618	2.1
76.71884	1.9
79.05486	9.8
81.03411	9.1
81.07059	17.3
82.12514	2.1
83.04982	9.1
83.08617	14.0
85.02913	24.2
86.06078	2.2
87.00835	12.5
87.04430	3.4
91.05483	10.6
93.07045	21.2
95.04955	6.7
95.08608	38.4
97.02884	9.6
97.06537	16.4
98.97603	3.2
99.04439	6.9
105.01858	22.5
105.07037	17.1
107.08595	59.1
109.02882	10.6
109.06494	10.4
109.10160	71.9
109.17847	2.1
111.08089	6.5
111.11726	35.9
116.98647	2.5
117.06989	3.4
119.04886	2.5
119.08598	14.7
121.06524	3.3
121.10144	38.7
123.08085	8.2
123.11709	11.8
125.09634	4.1
127.03923	20.8
131.08577	13.8
133.10130	23.3
135.08047	13.7
135.11688	46.7
137.05981	10.1
137.09627	16.6
137.13268	3.9
139.11192	2.6
143.08577	4.1
145.04970	8.1
145.10126	5.8
147.04448	4.7
147.11700	22.7
149.09625	6.5
149.13248	17.0
151.11192	5.6
153.12740	100.0
158.10791	4.4
159.02997	2.2
159.11714	12.0
163.14832	19.6
165.12759	9.0
166.04980	2.8
167.14282	5.9
173.13255	23.8
177.12732	3.6
190.08784	2.9
191.14326	59.6
195.02963	3.9
195.13728	2.7
205.10957	9.8
207.13799	3.3
209.15401	81.4
226.15210	2.7
227.16473	21.9
231.05020	8.2
249.06001	9.3
284.09732	5.9
304.59201	2.1
309.07523	4.0
337.03293	2.7
337.07132	4.0
342.16586	2.4
448.15405	4.6
467.18845	2.2
492.17715	4.3
510.17709	3.8
511.18167	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01869	2.2
55.05504	12.2
64.09008	1.8
67.05515	3.9
69.03428	7.3
69.07064	10.4
70.74464	1.9
71.04987	4.7
71.59158	2.8
72.08183	2.0
74.06079	6.8
79.05499	5.4
81.03414	8.7
81.07060	14.6
83.04984	11.5
83.08613	5.2
84.04480	4.1
85.02907	16.4
85.06543	2.8
87.00811	3.7
91.05495	6.9
93.07042	15.2
95.04974	16.3
95.08636	10.8
96.23003	1.9
97.02885	6.8
97.06541	6.4
99.04449	7.4
99.08101	2.5
105.01866	4.7
105.07026	7.3
107.08598	22.7
109.02881	6.3
109.06523	5.0
109.10157	13.5
110.10330	1.7
111.08110	3.4
116.82223	2.0
119.08608	7.5
121.06549	4.5
121.10156	23.5
123.08089	2.4
123.11736	3.4
125.09668	2.7
127.03903	9.3
127.07570	4.5
131.08623	5.3
133.10182	10.3
135.08066	4.2
135.11693	11.6
137.05994	4.3
137.09537	2.2
138.09175	1.9
145.04977	3.1
147.11694	7.3
149.09651	4.5
149.13229	13.6
151.11168	12.1
153.09145	4.7
153.12726	2.0
161.13152	2.1
163.14824	9.3
165.12756	10.4
167.14345	8.0
173.13286	8.3
191.14331	27.8
207.13884	2.2
209.15378	100.0
223.74480	2.0
227.16418	40.8
231.04951	3.7
245.06381	4.0
289.05374	8.7
344.11014	2.2
409.78287	2.2
475.21707	2.1
493.16809	7.7
510.16745	2.7
511.18121	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	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01861	2.0
55.05498	3.6
57.03442	5.7
57.07066	1.8
61.02927	8.2
67.05491	4.2
69.03428	18.4
69.07068	27.8
69.30251	3.1
69.30679	7.6
70.06593	2.0
71.04993	3.2
73.02919	4.2
79.05477	3.4
81.03414	8.4
81.07056	10.0
83.04944	1.3
83.08610	1.9
85.02904	100.0
87.04482	1.5
91.03944	5.2
91.05479	3.1
93.07034	3.2
93.07729	0.8
95.04956	2.4
95.08600	3.7
97.02273	1.8
97.02888	28.0
97.06520	2.3
97.10166	1.6
97.19221	1.0
99.04453	5.6
100.11232	3.5
105.07040	2.3
107.08595	2.4
108.08929	1.1
109.02880	8.2
109.06457	1.8
109.10134	4.7
109.82295	0.9
109.83067	0.8
115.03870	1.0
119.08577	2.4
120.97076	0.9
121.10125	1.3
123.11700	35.9
127.03922	29.6
131.08609	1.5
137.05969	1.8
144.06610	1.0
145.04956	48.4
147.04395	2.4
147.06674	1.0
151.11182	34.9
162.07629	1.0
163.06015	16.6
169.12206	4.4
176.84540	1.1
182.15390	2.0
190.08556	1.3
210.14723	1.4
214.17947	1.5
218.08069	2.0
236.09198	2.5
245.15529	0.9
272.73135	1.0
281.17523	1.2
313.16492	4.6
325.11340	1.5
366.60989	1.1
372.21423	1.4
416.24081	7.3
448.26865	2.6
460.26694	1.5
492.29761	1.5
510.27460	4.0
510.40851	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	509.2747
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03944	10.5
55.01859	11.1
55.05515	47.9
57.03449	19.2
57.07084	3.4
59.05002	5.0
61.02910	2.3
64.46178	2.4
65.03916	3.0
67.05169	4.5
67.05507	72.5
69.03429	38.2
69.07076	14.1
71.04986	14.2
73.02912	5.0
79.05051	4.2
79.05493	47.7
81.03420	54.3
81.07063	45.8
83.04981	14.5
83.08625	20.0
85.02918	19.0
87.04462	3.6
91.05490	31.9
93.07060	31.5
95.04973	20.2
95.08602	25.3
97.02902	21.7
97.06519	12.1
97.10168	27.1
99.04463	12.4
101.02397	5.1
101.05972	3.2
103.03959	3.1
105.07025	29.3
107.04949	12.6
107.08598	30.4
109.02862	15.7
109.06517	14.6
109.10144	31.5
111.04462	7.8
111.08076	9.3
117.07052	15.8
117.40174	2.7
119.04929	6.7
119.08579	20.8
121.06507	11.1
121.10154	15.9
123.08060	11.5
125.09632	22.8
127.03926	22.4
128.06212	3.9
129.06999	7.9
131.05022	2.9
131.08583	18.5
133.06491	5.3
133.10147	14.6
135.04356	2.6
135.08054	9.5
135.11659	7.0
137.06004	8.5
137.09625	6.2
141.06912	2.6
143.08575	6.6
143.10690	3.1
145.06468	5.7
145.10104	17.5
147.04453	13.7
147.08060	12.0
147.11703	5.3
149.05965	3.0
149.09586	6.3
151.11116	4.2
153.09125	5.8
155.08511	3.4
157.10197	6.4
159.08080	3.7
159.11707	7.7
161.09595	5.6
163.11191	9.8
170.90263	2.5
171.10243	2.9
171.11563	4.0
173.04445	22.5
173.09650	3.2
173.11745	7.8
173.13171	3.1
175.11209	4.5
183.06543	3.4
183.11720	3.0
189.11221	32.7
189.12764	4.4
192.03613	3.0
193.12253	4.4
201.12810	3.3
209.11708	3.6
209.59880	3.2
219.13878	4.4
223.13300	3.4
227.12787	12.7
233.15321	5.2
255.17586	4.8
273.18484	27.1
283.15695	3.9
291.19571	36.9
328.10059	3.0
347.22165	7.8
365.23206	7.4
437.25113	7.7
459.27673	5.1
491.26297	6.7
509.27481	100.0
509.34909	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01869	16.2
55.05513	57.5
57.03435	20.2
65.03944	6.1
67.05508	87.8
69.03430	14.7
69.07074	37.2
71.04993	24.7
71.59135	5.2
71.73666	3.9
77.04002	3.8
79.05497	92.2
81.03419	30.3
81.07059	100.0
83.04987	20.8
83.08631	37.0
84.06362	3.3
85.02909	15.9
85.06551	11.2
87.04469	3.8
91.03925	4.6
91.05488	55.6
92.05798	3.5
93.07051	89.7
94.06586	6.2
95.04970	66.8
95.08604	52.9
96.08952	3.5
97.02885	11.3
97.06530	23.0
97.10179	33.6
99.04463	5.1
99.08138	4.1
101.02413	4.1
101.75959	3.3
105.07024	52.4
107.04298	4.7
107.04973	54.9
107.08600	51.9
109.02848	5.9
109.06516	53.8
109.10155	28.7
111.04432	9.7
111.08087	7.3
113.05989	4.4
116.98575	6.3
117.07043	26.2
119.04913	4.0
119.08572	33.7
121.06500	31.4
121.10146	43.4
122.06049	14.8
123.08089	13.5
123.11697	13.8
125.09641	28.8
127.03906	10.3
129.07025	13.9
131.04916	5.1
131.08562	28.2
133.06499	8.4
133.10136	25.4
135.08061	25.1
135.11699	19.5
137.05981	10.8
137.09616	5.5
138.09143	3.7
139.11182	4.1
141.06978	6.9
143.08589	9.0
145.06432	18.3
145.10127	29.2
147.08063	15.6
147.11725	8.7
149.05957	4.2
149.09671	19.2
149.13332	4.3
153.09129	6.3
153.12758	6.8
155.08553	10.3
157.10124	11.4
159.08044	8.7
159.11732	10.9
161.09637	13.4
163.11182	26.8
166.08784	4.2
167.08545	4.5
167.10698	10.7
171.07945	5.4
173.09711	7.2
173.13272	9.1
175.11182	6.4
177.12744	3.8
181.12387	5.2
183.11760	5.9
185.13283	5.2
189.09167	4.1
189.11218	14.1
191.10643	5.1
191.14311	6.9
193.12276	12.8
197.13319	5.0
199.11301	7.2
199.13263	17.0
201.12921	4.6
205.12233	5.1
206.11752	7.4
207.11974	8.5
209.11769	8.5
211.13301	7.0
213.12891	4.0
215.14310	4.9
219.13870	29.1
223.13234	9.5
227.12746	27.5
233.15414	10.8
237.14828	5.4
243.14023	5.2
245.13847	5.1
259.13089	4.4
267.16037	8.0
269.17606	6.1
270.17926	10.2
273.14542	6.3
273.17142	21.5
275.16525	4.4
283.15225	5.8
293.17572	22.5
339.23456	4.8
349.21503	19.8
350.24274	8.6
357.24200	4.1
367.22656	51.7
368.25159	10.1
385.23773	50.2
403.24713	13.2
405.24582	4.6
417.26419	9.0
428.82651	3.8
430.25726	8.5
441.26340	18.9
459.27405	77.3
477.28754	37.6
491.30423	36.3
509.27017	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.05510	30.5
57.03424	11.8
57.07074	20.2
59.21511	2.6
60.08157	9.2
61.02929	6.7
66.56937	2.6
67.05508	47.3
69.07067	46.3
71.07390	4.6
71.08623	10.3
71.58991	5.2
75.82063	2.5
78.84104	2.5
79.05497	20.2
81.07063	47.8
83.08627	43.9
85.02897	4.8
85.10207	3.7
86.09715	35.5
91.05478	4.7
93.07053	27.5
95.08040	4.2
95.08609	37.3
97.06534	14.5
97.10184	23.9
98.98465	4.6
104.10749	66.7
107.08596	22.1
109.10152	22.8
111.08083	7.6
111.11729	5.7
115.03977	2.9
121.10147	52.0
123.11698	16.0
125.00021	20.8
135.11708	40.3
137.13258	9.6
139.11185	5.5
149.13300	15.8
163.14819	10.2
167.14330	3.5
177.16362	4.1
180.11064	2.5
184.07336	76.0
185.15207	2.6
207.06624	4.4
219.21098	50.5
237.22145	100.0
255.23186	23.8
311.25803	81.4
325.27502	4.6
329.26865	40.0
337.27582	3.9
399.91895	3.0
432.25171	3.1
468.03278	3.0
473.31265	3.7
473.74203	3.0
474.49341	2.7
490.32959	7.8
508.34183	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19143	0.8
70.38501	2.7
84.70253	0.8
94.93017	100.0
98.20776	1.1
155.92065	1.0
166.91449	67.0
212.85172	1.2
381.07919	26.9
458.98615	0.9
509.12238	1.3
532.15210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
55.81375	0.4
56.05021	0.5
60.07884	0.4
60.08170	5.9
67.05501	1.1
69.07059	1.0
71.07377	2.3
71.13204	0.7
71.13526	0.5
79.05482	0.6
81.07062	1.0
83.08617	0.4
86.09713	29.4
91.05466	0.4
93.07067	0.8
95.08611	0.8
97.07632	0.4
98.98457	2.9
104.10759	2.5
107.08571	0.5
125.00014	20.4
154.13062	0.4
184.07356	100.0
185.07753	0.8
235.53073	0.5
301.20114	0.6
336.26050	1.1
406.55020	0.5
490.33167	1.2
508.34155	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	508.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01870	2.9
55.05518	3.9
57.03436	3.5
61.02928	2.6
63.00191	1.2
67.05499	6.8
69.03431	7.7
69.07072	6.4
69.33933	12.2
70.06561	1.3
71.04990	4.4
72.04521	1.1
73.02917	3.5
79.05492	4.6
81.03413	6.9
81.07057	14.6
83.04987	3.1
83.08590	2.3
84.04494	1.5
85.01707	1.2
85.02905	22.7
85.06544	7.6
86.09699	2.5
87.00835	4.2
91.05461	7.6
93.07041	8.3
95.04967	4.3
95.08607	15.7
97.02898	8.7
97.06534	5.4
98.01897	1.1
99.04457	4.8
99.08096	2.0
103.03962	2.9
105.01910	6.2
105.07023	12.7
107.08591	10.5
109.02873	9.2
109.06534	3.4
109.10133	2.9
111.08067	5.5
113.09644	16.1
115.07539	1.5
119.08573	10.9
120.08104	1.9
121.10193	9.1
122.06071	1.4
123.08059	17.4
123.11716	7.9
125.06023	1.8
125.09652	2.7
127.03917	13.2
127.07533	1.3
129.67960	1.1
130.06506	3.1
131.08601	1.8
133.10135	1.7
135.08009	1.6
135.11636	2.5
136.07611	2.0
137.05992	5.0
137.09633	2.2
137.13242	2.1
139.11192	2.6
140.01840	1.2
141.09131	4.0
141.12737	1.8
143.08749	1.2
145.04971	6.1
145.10184	1.3
147.04457	2.0
147.11691	25.9
149.09685	1.7
149.13293	2.4
149.58557	1.3
151.03920	2.6
157.08670	1.3
159.02890	3.1
159.11707	1.9
161.13271	2.9
163.11182	1.4
163.14856	2.0
164.07007	2.1
165.12750	52.8
166.08719	2.6
167.10725	1.4
177.05373	2.8
177.12755	1.2
178.13133	1.3
179.14282	1.8
180.06639	1.2
181.04982	1.2
183.13814	8.8
191.14285	1.6
199.13315	5.2
205.12225	1.8
207.13843	12.1
209.15591	1.6
223.13364	3.0
224.13660	2.2
225.14876	56.2
243.15933	100.0
279.09015	1.5
355.13663	1.1
434.50772	1.3
509.15765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.97330	1.7
55.01873	3.1
55.05511	4.5
57.03434	2.8
61.02912	2.8
67.05506	5.4
69.03426	13.4
69.07072	5.1
70.06620	2.4
70.72874	5.8
71.04996	89.3
73.02898	1.7
79.05494	5.0
81.03426	11.9
81.07053	9.5
83.04990	5.9
85.02905	21.5
87.00839	6.3
88.03981	2.6
91.05482	11.8
93.07050	10.3
95.04964	13.3
95.08588	6.9
97.02885	10.7
97.06544	4.9
98.20785	1.7
99.04448	7.6
105.01900	9.6
105.07040	25.4
107.08597	100.0
109.02900	10.4
109.06519	5.4
109.10142	5.8
111.08092	2.1
116.98661	3.4
119.04951	3.8
119.08592	24.6
120.08102	7.4
120.08870	2.5
121.06504	5.0
121.10121	8.3
123.08076	5.5
125.06065	1.9
125.09663	2.2
127.03909	14.9
130.05070	2.6
131.08585	4.5
133.06488	5.0
133.10138	13.4
135.08058	4.2
135.11716	4.8
137.06017	3.0
137.09619	6.4
143.08578	2.7
145.04970	7.5
145.10144	8.2
147.04407	4.3
147.07971	3.9
147.11671	12.2
149.09686	7.1
151.03798	2.0
151.07535	2.5
153.09161	5.1
155.11861	3.3
156.09367	4.4
159.02895	3.3
159.11710	11.8
160.12088	2.6
161.13269	19.8
162.13538	2.9
163.11192	9.8
165.09251	2.5
165.12715	3.4
171.11670	9.5
173.13174	2.1
177.05473	5.2
177.12787	5.6
181.04970	3.2
187.10933	2.0
189.12749	38.7
191.14365	5.3
195.13814	3.3
205.12257	4.4
206.12585	2.3
207.13828	51.2
223.13318	4.3
224.13554	2.5
225.14877	43.6
231.04997	3.2
243.16078	2.1
245.25449	2.0
246.97380	2.0
249.06116	2.7
284.09656	2.2
294.14441	2.9
508.17365	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37617	1.3
53.03939	3.4
55.01870	3.8
55.05505	5.6
57.03431	4.0
57.07081	2.2
61.02922	3.0
61.57988	1.3
65.03934	2.7
67.05496	6.4
69.03436	12.0
69.07083	8.9
70.06593	2.2
70.72501	3.8
71.04980	4.3
72.08146	3.0
73.02928	2.0
74.06087	1.5
79.05087	2.1
79.05487	10.5
81.03426	11.0
81.07056	14.5
83.04982	4.6
83.08606	5.0
84.04513	1.5
84.08160	1.7
85.02910	26.3
85.06522	1.9
86.09702	3.6
87.00842	7.3
87.04440	1.6
91.05497	8.6
92.05014	1.7
93.07049	13.3
95.04969	4.6
95.08608	13.9
95.51522	1.4
97.02876	9.3
97.06512	4.5
99.04456	5.2
103.03983	2.1
105.01852	10.2
105.07034	18.7
106.02895	2.8
106.06551	17.9
107.04955	3.1
107.08595	32.1
108.08118	5.4
109.02895	11.0
109.06523	2.9
109.10159	9.1
110.59521	1.5
111.08136	2.0
117.03385	7.7
117.07010	2.1
119.08587	34.4
121.10155	21.5
123.04408	1.8
123.06823	2.6
123.08070	7.5
123.11732	3.0
124.03960	5.7
124.07600	9.6
125.05993	5.5
125.09645	4.2
127.03935	18.9
131.08580	3.9
133.10158	10.6
134.06004	11.0
135.04393	2.1
135.08102	3.9
135.11703	12.5
136.07596	2.8
137.06004	10.0
137.09622	3.0
137.13248	3.5
139.07568	1.9
141.09122	2.7
145.02861	22.9
145.04958	5.0
145.10117	3.5
147.08028	3.9
147.11671	4.6
149.06015	2.3
149.09644	3.2
149.13342	1.4
151.07529	5.2
152.07065	24.3
153.09116	6.2
153.12708	1.5
155.07042	5.5
156.09235	2.0
159.02911	4.5
159.11707	3.5
161.13263	67.8
163.11192	2.7
163.14851	4.6
165.09094	2.2
165.12770	4.1
167.10745	1.6
170.08130	22.6
171.11702	3.4
173.13329	2.3
177.05479	37.9
177.07040	1.9
177.12758	1.8
179.14302	11.8
180.06551	14.3
189.12766	20.6
197.15395	9.6
207.13809	71.7
216.16191	1.7
224.13713	1.5
225.14864	100.0
231.05043	2.8
243.15944	25.3
262.17584	1.5
321.09781	2.8
332.13937	2.1
337.07492	1.7
338.09399	1.5
490.17102	9.8
508.18457	25.5
508.30466	3.8
509.16107	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	508.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	0.8
70.59463	1.7
78.50427	0.5
79.05490	1.1
85.02895	1.5
91.05476	1.0
93.07041	1.2
97.02937	0.7
103.05458	5.3
107.04939	2.3
120.08105	100.0
121.08465	0.9
127.03914	1.0
131.04953	3.6
145.05064	0.6
147.04430	0.6
149.05969	1.7
154.08644	0.6
159.11775	0.6
166.08636	62.3
207.06581	0.9
207.13843	0.6
225.14803	0.7
280.09686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
54.70944	2.9
55.05506	10.2
57.03437	6.0
61.51898	2.5
66.49029	2.7
67.05511	9.8
69.03434	25.1
69.07056	9.2
70.06591	3.6
70.92812	4.0
70.93143	5.8
71.04990	34.6
73.02902	3.9
79.05479	4.2
81.03411	11.3
81.07059	14.9
83.04985	11.2
85.02901	35.9
87.00851	13.8
91.04964	2.4
91.05460	14.8
93.07049	18.6
95.04987	21.6
95.08596	15.1
97.02918	17.4
97.06538	8.1
99.00543	2.8
99.04471	13.3
101.07176	2.7
103.05496	3.1
105.01867	18.0
105.07035	37.6
107.08597	49.4
109.02897	17.1
109.06525	11.4
109.10162	20.5
111.08063	3.2
115.92467	2.9
117.07002	4.8
119.04921	4.5
119.07784	4.7
119.08585	47.8
120.08098	5.0
121.06490	8.0
121.10150	19.1
123.08077	12.3
123.11692	4.5
124.05251	2.6
124.07567	3.9
125.06027	3.3
125.09593	3.4
127.03921	28.0
128.98317	2.7
129.06984	3.5
131.04962	2.6
131.08575	9.1
133.06526	6.7
133.10126	25.4
135.08037	5.4
135.11700	4.9
137.05992	5.4
137.09642	15.7
143.08562	6.9
144.09306	4.7
145.05019	6.9
145.10123	12.8
147.04507	4.3
147.08015	8.5
147.11668	16.5
149.09651	16.4
149.13228	4.7
151.07532	4.2
151.11205	4.6
153.09015	5.3
155.11819	7.7
156.09352	11.0
159.02916	6.4
159.11703	36.2
159.73001	2.8
161.09599	4.9
161.13261	29.0
163.03928	3.6
163.11151	20.7
165.12834	6.5
167.10585	3.6
171.11726	15.2
173.04298	2.9
174.10388	2.8
177.00755	3.1
177.05469	3.8
177.12782	12.3
179.14365	6.2
181.04938	6.9
181.12271	3.5
189.12743	89.7
191.14307	10.0
195.13820	12.2
205.12277	5.5
207.13818	100.0
219.41196	2.9
223.13202	3.4
225.14867	67.1
231.05003	8.0
243.15927	9.1
249.06044	4.0
508.17972	5.5
509.17203	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	508.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95924	2.6
53.03936	3.5
55.01873	3.3
55.05513	10.5
57.03432	5.0
60.04523	4.2
66.75124	2.6
67.05495	10.9
69.03436	22.4
69.07059	9.0
69.87757	15.6
70.06584	3.0
71.05000	7.2
72.08170	5.8
79.05495	9.5
81.03402	15.0
81.07063	15.6
83.04984	10.8
83.14969	2.5
85.02905	40.7
86.09689	4.2
87.00820	13.9
91.05482	15.4
93.07034	22.9
95.04970	8.6
95.08611	16.1
97.02906	17.8
97.06521	6.8
98.97567	2.9
99.04451	14.5
105.01862	19.5
105.07037	49.0
107.08593	21.7
109.02914	15.5
109.06551	9.7
109.10172	14.0
111.08073	3.8
115.49297	2.8
116.98586	4.4
117.07020	9.0
119.08591	45.2
120.08116	2.8
121.06511	2.7
121.10149	19.9
123.08078	12.4
123.11739	3.2
123.31423	2.8
127.03930	34.4
129.06924	3.6
131.08607	18.2
133.10143	18.9
135.08043	4.3
135.11732	8.2
136.07570	5.6
137.05969	2.7
137.09608	16.2
137.13362	2.5
139.03847	2.5
143.08540	11.0
144.09322	6.3
145.04965	11.4
145.10109	20.1
147.08072	8.6
147.11694	29.5
149.09599	16.6
151.03920	2.6
151.07545	4.2
153.12692	4.5
156.09363	10.8
159.03046	3.0
159.11697	49.6
159.13008	3.0
160.12105	3.0
161.09573	2.9
161.13239	23.8
163.03958	3.8
163.11229	15.3
165.09135	2.8
165.12845	5.1
167.10698	8.5
170.48705	3.4
171.11679	16.8
176.07185	3.9
177.12714	17.3
179.14268	3.8
181.12302	3.6
189.12744	46.4
195.13777	12.9
207.13800	100.0
213.03976	3.9
225.14867	36.5
231.04968	10.1
243.15952	3.5
247.61720	2.9
249.06026	3.5
419.17221	4.0
437.18347	3.0
467.47626	3.4
508.17538	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	508.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	7.0
59.20712	8.1
69.03426	16.7
71.56693	9.8
81.03426	12.7
81.07053	7.2
82.06566	21.9
83.04984	14.1
83.56153	7.6
85.02899	32.5
88.03997	10.9
91.05482	25.9
97.01154	25.3
97.02878	14.8
105.07025	20.6
109.06511	8.5
109.94991	6.8
117.07024	11.3
119.08597	26.3
125.06049	9.9
127.03922	13.4
128.06253	9.6
129.07004	29.6
137.05956	13.3
143.08575	17.0
145.06496	8.3
147.04410	14.3
147.08121	46.5
159.08034	9.9
159.11784	14.2
161.09637	11.3
186.05856	33.3
189.09132	25.3
189.12778	14.3
207.10190	74.2
207.13824	26.9
214.38188	8.1
293.08411	12.3
328.12024	100.0
346.13058	96.3
490.17352	10.9
508.17929	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	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03938	2.0
53.60007	1.5
55.01854	1.7
55.05512	23.6
57.03433	10.1
57.07084	13.9
59.04979	2.6
62.24697	1.5
62.35600	1.4
65.03942	2.4
67.05504	100.0
69.03454	1.7
69.06720	1.7
69.07070	17.2
69.66643	11.1
71.04993	4.1
71.08614	6.9
73.69228	1.4
79.05495	25.9
81.06577	3.3
81.07053	57.6
83.04960	2.7
83.08630	14.4
85.06564	3.4
85.10178	3.0
91.05480	18.0
93.07041	34.1
95.04946	3.3
95.08607	45.8
97.06512	3.2
97.10166	14.2
99.08086	2.5
105.07037	16.0
107.08599	25.7
109.06523	2.3
109.10154	55.0
111.08092	4.4
111.11741	1.7
111.40284	1.4
117.07014	8.0
119.08586	20.7
121.10138	18.5
123.11716	10.2
125.09615	10.3
129.06973	3.7
131.08557	14.6
133.10089	10.6
135.08046	2.8
135.11681	11.5
137.09560	3.4
137.13268	3.3
139.11172	2.5
145.10089	12.5
147.11690	11.3
149.09502	1.9
149.13260	7.5
151.11079	1.9
155.10623	3.5
157.10109	3.0
159.11705	10.3
161.13234	5.8
163.11171	1.8
163.14847	4.8
169.10141	1.9
171.11636	2.4
173.11731	13.7
173.13290	6.5
175.14764	2.4
176.99312	1.7
183.11769	2.1
185.13266	3.5
187.14847	3.2
189.11217	8.5
189.16231	1.6
195.00307	40.9
199.14819	2.3
204.57843	1.6
211.14725	1.7
227.12747	13.4
229.14371	39.3
241.19638	2.2
243.21080	4.9
245.22827	1.8
259.20572	3.0
261.22144	22.5
271.20422	1.7
279.23233	2.2
297.22067	2.0
305.82550	1.5
313.27374	8.2
317.24814	4.3
319.38406	1.6
335.25784	23.7
372.65396	1.6
379.29980	3.8
397.30801	8.5
415.32370	8.1
433.33069	9.4
449.33136	1.7
471.34885	5.8
489.35745	63.3
490.35648	1.7
496.40216	1.7
507.26849	10.8
507.36676	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1825
Annotation	CHEBI:69645
Peak:m/z	Relative Intensity
53.03962	2.8
55.01870	3.1
69.03420	6.9
71.04996	4.6
71.58932	3.5
81.03403	5.7
83.04968	4.8
85.02897	13.8
87.86183	2.0
91.05499	5.4
95.08632	3.5
97.02918	5.3
99.04436	2.7
99.24295	2.5
102.98293	2.4
103.05447	2.5
105.01900	2.3
105.07005	4.5
107.04955	4.2
107.08598	3.2
109.02881	5.1
115.05447	3.6
117.07037	4.0
119.08587	5.7
121.10113	3.4
122.05999	2.8
123.04417	3.3
127.03941	4.9
131.08630	3.1
133.10118	3.4
134.99767	2.6
135.04428	3.0
136.54021	2.5
137.05983	38.3
143.04922	6.8
145.05014	3.0
145.06487	2.9
147.04387	8.2
147.08040	3.1
151.03975	2.6
151.07568	2.7
152.07100	5.6
159.11710	7.9
161.05989	12.9
161.13228	4.9
162.05525	4.5
163.03946	6.3
164.07033	12.4
177.12694	2.8
187.04015	3.0
189.12830	5.6
192.06352	2.5
205.06458	17.4
207.13913	12.1
222.06734	4.1
223.07660	13.5
225.14928	5.3
225.58083	2.3
233.06084	7.9
234.06937	2.8
237.09116	6.5
239.06992	3.0
249.07916	3.6
250.06274	14.9
250.08678	7.6
251.07043	26.6
265.08664	15.6
271.09232	2.7
274.48032	2.6
278.05545	18.5
278.08426	12.3
279.06561	9.5
280.07278	3.5
283.09625	12.4
285.10657	3.2
293.08099	46.7
295.08368	6.3
299.09149	12.0
300.12286	4.4
302.13812	5.8
310.10736	25.7
311.09088	47.8
311.12527	3.3
328.07864	5.3
328.11801	100.0
346.08713	4.5
346.12875	83.8
346.17059	5.5
472.16281	4.6
490.16916	3.8
508.17599	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	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98272	0.8
53.03948	1.2
55.01894	1.0
55.05512	8.6
57.03435	3.4
57.07072	3.1
59.04992	1.2
66.76752	0.9
67.05506	36.3
69.07070	7.3
71.05003	1.9
79.05492	11.8
81.07056	26.6
83.04962	1.0
83.08614	6.2
85.06541	1.2
85.10215	1.2
91.05486	8.9
93.07050	13.7
95.04999	1.3
95.08611	17.7
97.06548	1.4
97.10185	5.3
97.98000	0.8
105.07022	6.9
107.08592	9.8
109.06524	0.8
109.10161	25.8
111.08086	1.5
117.07074	1.7
119.08582	8.2
121.10148	8.0
122.02575	0.8
123.11719	4.0
125.09658	3.7
131.08534	4.6
133.10130	7.2
135.08015	1.1
135.11705	4.8
137.13196	0.9
139.11134	1.2
143.08559	2.1
145.10168	4.7
147.11687	5.4
149.13283	2.5
157.10165	1.5
159.11696	4.6
161.13249	1.5
163.14873	1.3
171.11737	1.6
173.11781	5.6
173.13303	4.0
175.14885	1.6
185.13298	2.1
187.14845	1.5
189.11255	3.0
209.22653	0.9
213.16414	1.2
227.12791	4.8
229.14375	16.3
229.68008	0.9
243.21222	1.1
259.20529	1.8
261.22162	7.8
274.63739	1.0
279.23187	1.2
295.67841	0.8
304.87823	1.0
317.24747	1.7
333.23969	0.9
335.25790	11.0
335.29288	1.0
355.02969	0.9
379.29874	1.6
397.31042	3.8
415.32224	3.1
433.33041	4.2
471.34729	2.6
489.35736	27.0
507.27228	100.0
507.36786	15.4
508.27341	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	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08627	3.2
55.01859	3.9
55.05512	28.0
57.03430	12.2
57.07070	12.6
60.44599	2.9
62.51838	2.7
67.05177	5.9
67.05511	100.0
69.07066	20.1
71.04971	4.1
71.08640	6.9
71.58517	3.7
77.11606	3.0
79.05493	26.2
81.03430	5.0
81.07063	67.4
83.08620	18.8
85.06522	5.9
85.10186	3.3
87.04498	3.4
91.05484	23.8
93.07050	39.1
93.07576	5.7
95.04957	3.4
95.08047	5.0
95.08610	49.5
96.08966	2.9
97.06528	5.7
97.10159	16.4
99.00382	3.2
105.07033	22.9
107.08604	27.9
109.10166	63.2
111.08080	4.2
117.07015	4.9
119.08582	24.0
121.10155	19.2
123.11717	11.2
125.09645	10.3
131.08589	15.9
131.53627	3.3
133.10141	15.0
135.11708	11.5
137.09572	4.3
142.27747	3.0
145.10133	12.7
147.11694	11.4
149.13277	8.6
159.11676	11.5
161.13239	10.7
163.14847	6.1
169.10097	4.1
171.10181	3.0
171.11644	5.5
173.11752	14.9
173.13216	6.8
175.14836	3.7
185.13200	3.2
187.14799	3.3
189.11241	13.0
195.00307	60.2
217.48973	3.0
227.12772	16.1
229.14363	45.7
243.21030	5.7
259.20590	4.1
261.22122	23.9
313.27319	11.1
317.24777	3.8
325.47861	3.2
333.24323	3.3
335.25833	32.1
397.31177	10.7
415.31943	7.7
433.33240	8.8
463.79926	3.2
469.15866	3.3
471.34506	7.2
489.35760	69.6
507.26755	15.9
507.36728	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
52.88567	1.2
53.03913	2.3
55.01856	2.5
55.05512	24.8
57.03437	8.7
57.07043	4.8
59.04974	2.9
61.97493	1.0
63.07471	1.0
64.44054	1.1
65.03911	2.9
67.05508	100.0
69.03399	2.0
69.07070	16.6
70.64431	1.0
70.64773	4.1
71.04967	3.9
71.08605	3.4
79.05496	29.8
81.03394	1.6
81.07060	67.7
83.04971	1.9
83.08617	16.2
85.06511	3.2
85.10143	1.5
91.04981	1.7
91.05482	22.4
93.07047	36.7
95.04935	3.1
95.08610	47.6
97.06500	3.8
97.10177	16.5
99.08065	2.0
105.07041	19.0
107.08597	29.1
109.06534	1.3
109.10162	69.4
111.08034	3.6
117.07001	8.1
119.07804	1.4
119.08578	20.2
121.10155	19.7
123.08024	1.6
123.11720	8.6
125.09640	10.5
126.12875	1.0
129.06972	3.1
131.08568	15.5
133.10127	14.2
135.08092	2.1
135.11708	13.6
135.75343	1.0
137.09570	3.1
137.13205	3.6
139.11087	1.5
143.08522	2.8
143.10559	1.1
145.10141	13.2
147.11694	11.7
149.09679	1.3
149.13222	8.5
151.11079	1.2
151.14731	1.3
153.09073	2.4
155.10622	3.6
157.10089	3.2
159.10686	1.0
159.11705	9.9
161.13283	6.5
162.14828	1.1
163.11143	1.4
163.14809	5.4
171.10007	1.0
171.11609	4.3
173.11667	14.1
173.13210	8.9
175.14749	3.5
177.12671	1.3
177.16377	1.7
183.11673	2.3
185.13162	3.1
186.25531	1.0
187.14835	5.1
189.11244	8.4
197.13144	1.8
199.14769	2.5
201.16348	1.4
213.16376	1.3
227.12787	12.9
229.12143	2.6
229.14346	40.7
231.15787	1.8
243.21025	5.8
249.18503	1.5
259.20532	2.8
261.18237	1.0
261.19269	1.3
261.22144	21.2
263.23590	1.4
277.21481	2.2
279.23184	2.2
299.23749	1.6
303.23047	1.5
317.24533	4.1
335.25818	28.3
351.25363	1.2
375.03864	1.1
377.26743	1.3
379.29724	3.2
397.30969	8.4
415.32135	8.5
433.33041	7.2
433.54019	1.3
435.31436	2.0
449.32553	1.7
471.34534	6.9
489.35779	64.5
507.36475	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05515	1.6
57.03431	0.7
59.83727	0.6
61.02940	1.1
64.45039	0.7
67.05505	3.4
69.03455	2.3
69.07087	2.1
71.08655	1.7
71.33240	1.4
79.05517	1.7
79.60531	0.7
81.03463	2.2
81.07073	3.7
83.05007	1.3
85.02950	1.7
85.06635	0.7
87.67916	0.6
91.05499	1.3
93.07057	3.7
95.04995	1.5
95.08648	2.9
97.02921	1.3
97.06536	1.1
99.08136	2.0
105.07053	1.5
107.08623	2.2
109.02909	1.0
109.06568	1.4
109.10181	2.4
119.08612	2.1
120.08140	1.1
121.06538	1.0
121.10179	1.4
123.11741	1.0
125.09700	1.2
127.03950	1.3
131.08627	0.7
133.10225	1.4
135.11783	1.2
137.05960	1.3
137.09674	1.7
145.10133	1.0
147.11725	0.9
147.23151	0.6
149.13258	1.0
151.07581	0.8
165.09132	11.8
165.12852	1.1
196.21317	0.7
205.12431	0.9
209.15462	2.1
227.12756	0.7
227.16409	1.4
247.07542	3.6
307.75983	0.7
313.04776	6.2
371.20831	1.0
475.10043	100.0
476.10284	3.6
489.31757	0.8
507.12653	78.9
508.12943	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	507.2723
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03939	2.2
55.05513	13.9
57.03438	8.5
60.74881	1.6
64.98578	1.6
65.03950	1.7
66.62878	1.5
67.05507	44.0
69.07074	8.3
70.13425	6.9
75.02535	1.8
79.05499	20.5
81.07059	35.5
83.08614	6.2
86.09735	3.0
91.05479	9.5
93.07040	23.5
95.04947	2.5
95.08603	30.0
97.10166	3.7
98.21478	2.1
98.98473	22.1
105.07024	9.1
107.08590	12.0
108.36451	1.9
109.06501	1.8
109.10146	17.3
110.16110	2.0
111.08109	2.1
117.07010	3.1
119.08585	7.0
121.10154	10.1
123.08185	1.7
123.11692	4.3
125.09603	2.6
131.08534	5.3
133.10094	6.4
135.07867	1.8
135.11682	6.0
145.10117	5.4
147.11710	3.7
149.13222	3.8
159.11678	4.3
173.02112	4.8
173.13261	2.8
184.07338	4.1
229.14383	6.2
237.18254	2.0
243.21143	3.5
261.22205	8.1
282.84387	1.9
312.23312	1.8
317.24838	2.7
335.25812	100.0
336.25888	2.4
489.36087	8.9
507.36490	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1139
Annotation	Quercetin-3-O-glucose-6''-acetate
Peak:m/z	Relative Intensity
53.03745	0.2
53.03949	2.8
55.01879	0.5
55.05502	0.3
57.03420	0.8
61.02954	1.1
62.92292	0.2
67.05489	0.5
68.99796	0.6
69.03432	9.7
69.07060	0.7
70.06582	0.5
70.38036	0.7
71.04986	1.0
72.08143	0.8
73.02906	1.1
79.05487	0.4
81.03420	12.9
83.04962	0.3
84.08135	0.3
85.02431	0.4
85.02911	5.7
85.06571	0.4
86.09701	0.4
87.04469	0.3
91.05476	0.6
93.07019	0.5
95.04981	0.5
95.08602	0.6
97.02898	5.0
97.06511	0.6
99.04466	2.2
103.03918	0.3
105.03391	0.3
105.07026	0.6
107.05006	0.2
107.08582	0.6
109.02883	8.3
109.06489	0.3
109.10162	0.4
111.00813	1.0
115.03934	0.2
119.08540	0.5
120.08108	0.9
121.02882	0.7
121.06460	0.3
121.10152	0.7
123.04486	0.3
127.03923	7.4
131.04851	0.2
131.08574	0.3
132.88426	0.2
133.10075	0.3
136.07555	0.4
137.02356	2.5
137.05942	0.5
139.03888	0.3
140.07033	0.6
145.02948	0.3
145.04942	1.5
145.10054	0.4
147.11697	0.3
151.03908	0.5
153.01828	2.8
161.06007	0.5
163.03902	0.5
165.01826	1.4
165.09148	0.5
168.06578	0.8
173.06000	0.4
175.14867	0.4
176.15230	0.2
177.05490	0.6
178.04994	5.8
181.87502	0.2
183.02902	0.8
183.04376	0.2
187.06033	7.6
198.00694	0.2
199.11185	0.3
201.05460	1.2
205.07068	0.4
217.99950	0.2
223.13281	0.3
229.05003	4.0
238.68274	0.3
241.14322	0.3
242.14658	0.4
247.05885	0.4
257.04410	2.5
274.04773	0.7
285.03976	1.1
285.09207	0.3
303.05002	100.0
304.05283	1.2
463.12540	0.4
507.24792	0.7
532.81653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05022	0.4
57.25108	0.4
58.06615	0.6
60.08162	6.1
60.66950	0.3
61.02908	0.4
67.05508	2.1
69.07076	0.6
69.50692	0.7
69.51092	3.2
71.07365	2.8
72.26125	0.4
79.05505	0.8
81.07047	0.9
86.09706	29.3
91.05427	0.7
93.07076	0.7
95.08589	0.8
98.98460	2.4
100.96304	0.4
104.10742	3.4
105.07009	0.8
109.10179	0.6
119.08587	0.4
125.00005	19.1
138.61383	0.4
143.01117	0.4
165.00267	0.4
177.56566	0.4
184.07339	100.0
229.59486	0.4
251.11864	0.9
251.14229	0.4
263.11746	0.9
265.13422	1.1
279.11417	0.5
323.13779	1.6
323.25638	0.4
325.15359	1.8
334.24417	0.4
335.10638	0.4
351.12833	0.4
383.16153	2.7
384.16837	0.5
385.17548	2.6
446.20724	1.6
488.31335	1.2
506.24380	0.7
506.32251	4.2
532.35205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
55.01867	3.8
55.05514	9.7
57.03442	9.3
57.07069	5.5
59.04999	3.5
61.02932	3.9
67.05505	13.3
68.99822	1.7
69.03439	20.0
69.07065	8.1
70.16867	2.8
70.17286	4.9
70.60139	1.5
71.04988	5.5
73.02933	2.3
79.05492	8.7
81.03412	14.0
81.07065	34.0
82.20060	1.4
83.04990	16.8
83.08613	10.8
85.02911	24.4
85.06546	6.7
86.09722	2.5
87.00830	2.1
87.04481	4.0
91.05481	10.6
93.07050	17.4
95.04974	21.3
95.08614	15.3
97.02892	20.6
97.06541	12.3
97.10234	2.0
99.04448	11.5
101.02388	23.4
105.07038	19.3
107.08604	31.5
109.02874	19.4
109.06516	28.2
109.10160	43.1
110.10491	1.9
111.04498	2.0
111.08079	7.4
113.09644	1.6
115.05435	1.5
115.07571	4.0
117.07050	2.1
118.07792	1.5
119.03423	100.0
119.08578	14.4
120.08106	2.4
120.08904	1.7
121.10143	28.3
123.08088	7.4
123.11724	11.7
125.09629	6.5
127.03938	26.6
129.06999	1.7
131.03427	3.2
131.04936	2.8
131.08591	12.7
133.10136	56.8
135.04469	1.8
135.08066	8.8
135.11722	6.8
136.12038	1.9
137.05997	3.6
137.09647	2.4
137.13242	2.4
139.11156	3.2
143.08563	2.3
145.02927	1.7
145.04996	11.2
145.06110	1.6
145.10135	8.6
147.04416	2.4
147.11674	13.3
149.09595	2.5
149.13281	12.4
151.11200	13.1
153.09108	18.1
158.10899	3.2
159.11710	2.0
163.03882	2.0
163.11163	4.3
163.14806	7.8
165.12727	6.3
167.14352	11.0
173.04469	6.6
173.13274	32.5
175.14847	11.4
176.15224	1.4
181.15871	2.3
191.14320	37.9
193.15886	2.7
209.15370	85.6
211.16924	2.8
212.17252	5.7
217.22652	1.5
223.13358	2.8
227.05513	3.1
227.16444	14.4
229.05679	1.4
241.14467	1.6
245.06560	8.0
263.07700	3.5
474.71884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.05514	12.4
57.03429	6.4
57.07071	5.0
58.18715	1.8
59.04999	3.4
59.56141	1.6
61.02922	5.2
66.91946	2.1
67.05499	12.6
69.03430	20.8
69.07060	7.1
70.06599	3.3
70.94742	4.9
71.04990	5.2
71.77927	1.8
73.02903	2.8
74.09834	1.8
75.45007	1.7
79.05493	15.6
81.03422	21.0
81.07058	27.2
83.04980	14.8
83.08612	8.9
84.04514	2.8
85.02901	28.4
85.06546	7.0
86.09695	3.3
87.00815	3.7
87.04455	4.3
88.03994	1.9
91.03943	5.2
91.05467	11.8
93.07046	17.6
95.04959	17.2
95.08605	13.6
97.02905	27.2
97.06519	13.6
99.04443	11.9
99.08069	2.2
101.02381	18.6
103.03930	3.0
105.07032	21.6
107.04973	2.7
107.08591	33.9
109.02895	20.2
109.06527	27.6
109.10153	47.3
110.10489	3.2
110.61495	1.9
111.08087	8.9
113.05975	2.3
115.03938	2.3
115.05438	3.3
115.07558	3.0
117.07006	3.3
119.03415	100.0
119.08566	16.3
120.08080	3.9
121.06554	3.5
121.10136	29.4
122.06052	2.1
123.08046	8.4
123.11697	10.8
125.09628	6.0
127.03902	27.9
129.07054	2.1
131.03404	4.5
131.04893	2.1
131.08572	16.9
133.10132	58.1
135.08084	9.2
135.11694	7.5
137.05963	6.4
137.09615	3.7
137.67270	1.9
139.11185	7.1
145.02863	2.7
145.04924	12.0
145.10123	9.5
147.04367	2.4
147.11691	14.1
149.09683	3.0
149.13242	19.9
151.11160	12.3
152.07031	2.7
153.09094	19.5
153.12756	3.4
158.11012	3.0
159.11729	3.2
161.04553	1.8
163.11230	4.2
163.14778	8.6
164.07005	2.7
165.12782	6.5
167.14272	15.3
171.11559	2.2
173.04462	6.9
173.13255	31.6
173.14688	2.6
175.14841	10.0
177.03711	1.8
177.05484	2.7
189.09100	2.5
191.14293	39.3
193.15915	4.5
209.15359	92.4
211.16878	3.2
212.17274	5.5
223.04250	2.5
223.13347	4.7
227.05513	2.2
227.16412	16.9
237.05913	2.7
241.14394	2.5
245.06602	11.2
263.07556	3.9
267.16080	2.1
326.23071	2.8
351.09586	2.5
384.31235	1.9
400.21994	2.2
405.18552	1.8
452.07303	1.8
506.18192	2.5
506.26990	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	506.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
55.01859	1.0
55.05505	2.2
65.03938	2.0
67.05506	3.3
69.03427	5.0
69.07057	1.6
70.06586	2.3
71.59019	1.5
73.02883	1.1
79.05504	3.6
81.03435	3.2
81.07044	1.2
83.04987	5.5
85.02899	7.5
86.09719	3.4
87.00780	1.2
89.03933	3.5
91.05482	7.2
93.03392	2.0
93.07047	3.8
95.04978	5.1
97.02908	3.2
97.06514	1.2
103.05468	1.0
103.76234	1.1
105.01868	2.2
105.07025	7.7
107.04957	11.6
107.08580	2.1
109.02872	2.8
109.06549	1.8
111.04427	6.1
116.98634	1.5
117.03398	1.9
117.07043	1.2
119.04960	2.8
119.08576	17.3
121.02864	1.4
121.06488	2.6
121.10159	2.1
123.04439	23.0
124.05234	6.9
127.03944	4.0
129.05513	2.9
131.04938	2.3
131.08601	2.8
133.02847	3.1
133.06519	1.6
133.10144	6.2
135.04424	24.0
135.08025	1.6
136.05156	1.7
137.02361	4.5
137.05991	15.6
139.03902	3.4
144.09399	2.0
145.02876	6.3
145.04924	1.4
145.10120	3.1
147.04424	37.4
147.08006	1.3
149.02348	1.9
149.06012	2.0
150.03128	2.1
150.05569	1.7
151.03935	1.8
152.06117	1.1
152.07115	11.1
153.07872	3.7
154.08647	2.3
157.04944	2.2
159.04393	2.6
159.11711	14.8
160.05183	2.7
161.02400	2.4
161.06001	6.7
161.09589	2.3
161.13275	17.4
163.03915	100.0
163.11176	1.7
164.07071	7.3
165.05455	1.5
167.08603	3.7
177.05458	1.8
177.06966	1.7
177.12784	5.0
181.04967	1.3
181.06641	1.1
187.11201	3.1
195.08098	6.5
195.13821	1.2
205.04884	2.2
205.06598	2.5
205.12206	11.9
223.07576	6.9
223.13307	18.7
231.04980	2.6
241.08536	8.6
251.07108	4.8
269.08124	38.2
279.06577	2.6
286.10873	3.0
297.07605	25.0
315.08661	4.5
355.10321	3.0
396.85794	1.1
471.12735	6.8
489.13943	5.6
506.16592	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	506.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.7
59.89795	2.8
69.03426	4.4
71.58370	5.1
85.02897	4.2
107.04944	5.3
110.20413	3.2
111.04435	5.5
115.35375	2.7
117.07064	3.5
119.08614	6.4
123.04411	17.6
127.03918	3.2
131.08585	3.0
133.10066	2.9
135.04424	4.0
137.02347	5.5
137.05922	3.4
146.05960	3.1
147.04405	12.9
152.07111	8.2
159.11691	8.1
161.13229	9.0
163.03888	10.2
163.06242	3.8
164.07036	8.4
167.37523	3.5
177.06984	5.1
195.08105	5.2
205.06479	22.2
205.12196	3.2
211.07645	3.8
223.07547	32.2
223.13239	5.6
224.07074	4.4
233.06009	13.4
239.07092	3.6
241.08540	6.0
242.24767	2.8
249.05525	4.4
250.08638	8.1
251.07010	42.3
253.55980	3.0
257.08066	4.1
261.05493	3.8
269.08017	22.6
278.08105	7.7
279.06503	75.0
285.07529	13.1
286.10764	11.0
296.09134	22.1
297.07571	59.6
297.10840	4.1
314.10208	100.0
325.09161	4.2
488.15686	3.7
506.16678	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76947	1.4
53.03950	2.7
55.01855	2.5
55.05508	13.0
57.03188	1.7
57.03424	10.3
57.07046	1.6
57.74173	1.5
59.05002	3.5
65.03936	3.8
67.05504	100.0
69.07070	8.6
71.04980	4.3
71.08620	2.0
71.20232	3.4
75.25009	1.5
79.05488	28.5
81.07059	37.1
83.08622	6.2
85.06551	3.4
91.05476	34.4
93.07043	35.4
95.04978	4.6
95.08605	28.2
97.06544	2.0
97.10190	2.1
98.98480	12.9
105.07030	33.6
107.08607	17.8
109.06484	2.5
109.10152	71.3
111.08109	3.0
117.07052	8.5
119.08575	30.5
121.10151	15.2
123.08025	1.8
123.11694	1.7
125.09601	2.5
129.05487	4.3
129.06989	4.5
131.08571	11.2
133.10136	26.2
135.11705	9.9
137.09621	5.6
143.08582	4.1
145.10123	11.7
147.11690	21.3
149.13251	7.2
155.01031	3.2
155.08517	1.7
155.10699	3.4
157.10146	6.9
159.11665	9.0
160.92899	1.8
161.13255	16.6
163.14844	4.0
171.11668	6.1
173.02141	4.7
173.11746	21.1
173.13295	5.4
175.14807	7.4
184.07339	2.6
185.13326	5.5
189.11198	2.3
199.14885	3.7
213.16479	1.9
216.78964	1.7
217.19527	2.1
227.12836	4.3
229.14349	48.0
229.16568	3.2
231.21085	3.3
241.19537	21.0
259.20560	48.6
261.22125	3.7
277.21829	2.0
315.23148	4.4
333.24231	68.0
334.24432	3.1
390.23172	1.6
413.30450	2.7
431.31873	2.1
487.34137	12.0
505.14236	2.7
505.35117	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01871	6.4
55.05509	65.0
56.96565	2.4
57.03431	5.1
57.07077	24.1
59.04993	3.9
61.64888	1.7
65.03934	3.1
67.05505	100.0
69.03422	7.3
69.07068	31.7
69.29910	3.2
69.30312	14.3
71.04968	3.3
71.08630	17.3
73.02924	1.6
79.05492	57.5
81.03413	45.8
81.07054	75.8
83.04985	6.4
83.08614	51.9
85.06546	3.2
85.10199	9.7
85.61169	1.6
91.05479	36.4
91.30891	1.4
93.07038	58.8
94.74785	1.6
95.04986	15.1
95.08604	56.2
97.02920	2.4
97.06521	2.5
97.10168	67.1
99.08108	2.1
105.07027	26.2
106.78455	1.7
107.04967	3.5
107.08589	40.8
109.06516	2.7
109.10150	41.9
111.08068	7.2
117.07014	8.1
119.08573	26.9
121.06542	1.6
121.10150	21.7
122.37299	1.4
123.08058	3.8
123.11706	7.1
125.09632	53.6
125.10559	3.1
129.06982	8.1
131.08575	17.0
133.10136	17.9
135.04352	1.8
135.08057	4.1
135.11699	17.6
137.13268	2.5
139.11183	1.8
143.08580	2.8
143.10690	5.4
145.10144	10.7
147.08044	3.1
147.11693	14.8
149.09575	1.8
149.13272	11.7
151.11139	1.9
153.09047	3.9
157.10138	4.3
159.11707	10.6
161.13217	10.5
163.14786	4.9
165.12766	1.6
169.81139	1.7
171.10170	4.9
171.11668	4.0
173.11719	6.3
173.13258	6.4
175.11165	3.9
175.14778	4.3
176.99237	5.9
177.16324	2.1
185.13304	2.2
187.14867	3.2
189.11208	47.7
193.12259	20.4
195.00278	14.6
199.14801	1.7
212.99934	2.2
227.12762	41.9
229.14330	15.6
231.21159	2.8
239.23650	2.7
241.19582	8.7
243.21144	5.0
245.13759	4.7
249.14879	2.3
259.20618	17.4
261.22113	23.8
298.79547	1.8
311.25687	4.2
317.24701	4.1
321.81665	2.1
333.17239	2.1
333.24268	9.7
334.17661	2.8
351.24924	1.8
413.20657	2.7
431.31619	2.0
486.75687	2.8
487.24759	2.9
487.34048	11.1
505.25208	34.9
505.35428	97.1
506.35416	3.7
522.13354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59036	1.3
55.05515	14.5
57.03428	10.3
57.07074	3.3
59.05007	3.7
67.05506	100.0
69.03442	1.6
69.07064	10.2
71.04968	3.4
79.05495	21.5
81.03394	2.0
81.07058	32.8
83.05029	1.5
83.08616	8.5
85.06528	3.5
91.05479	30.2
93.07050	34.6
95.04968	5.2
95.08608	18.7
97.06528	2.1
97.10154	2.9
105.07041	29.7
107.08599	16.7
109.10159	72.4
111.08073	4.9
117.07016	8.0
119.08585	31.3
121.10154	14.5
123.11646	2.0
125.09631	2.6
129.06979	5.6
131.08549	11.0
133.10133	18.9
135.11703	9.9
137.09621	4.4
143.08540	4.7
145.10117	10.1
147.11696	26.3
149.09618	2.7
149.13208	7.4
155.10635	3.8
157.10123	5.0
159.11703	11.7
161.13266	19.2
163.14769	2.8
171.11678	6.1
173.11736	27.3
173.13283	6.5
175.14845	8.4
185.13269	4.5
187.14799	3.0
189.11148	2.3
199.14804	4.8
201.16359	1.8
203.14401	2.1
213.16452	2.0
217.19571	1.7
227.12837	7.9
229.14368	68.2
231.21037	4.0
241.19518	20.9
259.20584	54.6
261.22144	3.9
268.60724	2.0
276.94339	2.1
297.22223	1.8
315.23187	4.6
333.24240	35.5
337.27316	2.3
413.30292	2.2
434.49698	1.9
487.34250	14.9
505.35089	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Protobassic acid
Peak:m/z	Relative Intensity
51.67056	2.6
53.03942	6.9
55.01877	24.0
55.05263	3.3
55.05516	51.6
57.03436	6.1
57.46023	2.5
59.04999	2.7
65.03951	6.3
67.05170	5.7
67.05505	79.7
69.03421	8.0
69.07068	49.9
70.06577	2.5
70.33475	11.1
70.89724	2.9
71.04989	9.6
74.42809	2.6
79.05494	61.1
81.03417	12.5
81.07057	100.0
82.31937	2.6
83.04985	11.2
83.08620	26.6
85.02920	7.2
85.06528	5.5
91.05481	69.5
93.07043	73.7
93.07629	4.6
94.06561	3.8
95.04950	14.7
95.08604	59.2
96.08938	3.1
97.02895	3.8
97.06535	40.7
97.10178	15.2
99.04449	2.8
99.08099	5.3
103.05414	3.3
105.07033	74.0
107.04964	15.7
107.08601	49.3
109.02864	2.7
109.06525	11.5
109.10152	24.1
111.04415	5.0
111.08076	11.8
115.05480	5.4
117.07017	27.3
119.08580	58.6
121.06532	10.2
121.10139	33.2
122.06012	5.0
123.08043	15.8
123.11714	9.8
125.09612	14.8
127.03908	2.8
128.06247	3.2
129.07019	17.2
131.08556	43.1
133.06493	5.3
133.10139	42.2
135.04411	5.2
135.08034	10.6
135.11655	16.4
137.05984	6.7
137.09613	8.8
139.11247	3.3
141.06999	7.2
142.07750	4.8
143.08556	24.8
144.19577	2.7
145.06494	5.3
145.10133	36.2
147.08058	10.6
147.11694	25.2
149.09604	18.5
149.13234	8.2
151.11240	5.0
153.09152	6.0
155.08565	11.0
156.09416	3.3
157.10153	18.8
159.08022	7.6
159.11670	20.0
161.05995	4.7
161.09676	7.9
161.13242	6.6
163.03876	3.8
163.11166	8.9
165.12766	6.7
167.08533	4.0
169.10124	13.7
169.12276	3.2
171.08044	4.1
171.11638	16.1
173.09613	5.2
173.13249	9.2
175.11165	5.9
177.12758	11.3
181.10120	10.0
183.11714	12.4
185.09645	4.9
185.13228	14.5
187.11108	7.0
187.14833	5.5
189.11206	4.6
189.12811	4.9
193.10204	3.2
195.11719	9.1
197.13264	7.9
199.14937	7.6
201.12805	7.9
203.14322	2.8
203.17793	3.0
205.12210	4.4
207.13960	3.5
209.13248	9.4
211.14905	6.0
213.16386	4.0
215.06992	5.0
219.13741	3.3
221.15466	4.3
231.08064	6.3
231.82973	3.1
233.15430	3.4
235.16914	4.9
239.17798	3.2
247.17001	3.2
257.19009	8.1
259.09753	8.1
261.18576	3.9
263.20093	2.9
275.20090	50.5
290.14142	2.8
291.19659	3.0
293.21252	7.7
297.22342	3.0
299.20221	3.1
299.23804	2.8
301.21722	8.7
307.20694	3.0
313.21622	3.7
325.21591	3.0
339.23050	6.0
341.24762	4.9
344.07401	48.9
355.26517	3.1
357.24216	8.8
371.25751	3.2
373.27551	5.9
375.25284	14.8
377.27167	4.1
389.27252	3.3
393.26614	2.9
405.26608	3.0
405.31772	3.1
417.26254	6.4
423.32629	6.5
433.31070	15.9
441.33902	5.7
451.32120	37.7
459.34705	9.1
469.33194	60.6
487.34271	57.7
505.35245	25.6
506.12622	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05503	0.6
57.03440	0.4
60.55691	0.4
61.02925	0.7
67.05498	0.6
69.03416	2.2
69.07052	0.7
69.12855	0.4
70.06599	1.0
71.05025	0.4
71.59309	0.5
79.05495	0.4
81.03409	1.4
81.07066	1.7
83.04997	0.8
84.08160	0.6
85.02918	4.1
85.06547	0.6
86.03241	0.6
86.09699	1.0
87.00832	0.8
88.31236	0.4
91.05479	1.4
92.05790	0.4
93.07059	1.1
94.07399	0.4
95.04974	0.9
95.08615	1.3
97.02879	1.9
99.04464	1.1
105.01857	1.8
105.07033	1.6
107.04958	0.8
107.08619	1.1
109.02871	0.9
109.10172	0.7
116.98698	0.4
119.08590	0.9
120.08135	0.7
121.10133	0.4
123.04400	0.6
123.08075	0.9
123.11717	0.6
125.09673	0.5
127.03894	2.5
133.10114	0.4
135.11714	0.4
137.05988	1.6
139.11209	0.5
145.02815	0.8
145.04970	1.0
147.04396	0.6
147.08113	0.4
159.11758	0.4
163.11154	0.8
164.07082	0.4
167.07077	0.6
177.05501	2.2
181.12318	0.4
199.09544	0.6
217.09038	0.4
221.11751	0.7
222.12096	0.9
223.13417	0.4
267.11661	0.4
299.05060	0.4
301.12350	0.7
313.08923	0.7
329.08575	0.5
343.13687	0.5
343.25330	0.4
361.14682	6.1
383.16833	2.8
385.14691	1.3
403.15771	1.7
443.18878	13.5
445.16751	10.5
449.29218	0.5
487.17056	0.7
505.18872	100.0
506.19229	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19919	5.9
53.03937	6.6
55.05501	11.9
57.03420	5.9
57.07072	7.0
61.02919	9.7
67.05502	97.4
68.05840	10.1
69.07053	13.1
70.85412	18.6
71.05001	8.2
79.05498	70.6
81.07055	79.4
83.08611	20.4
85.02898	10.7
85.06532	10.4
91.03944	9.0
91.05478	40.7
93.07050	63.3
95.08601	56.7
97.06552	8.7
98.98450	12.4
99.08096	10.2
105.07034	37.5
106.93869	5.9
107.04984	7.4
107.08590	55.5
109.10169	50.2
110.10522	12.9
111.08000	8.9
111.98691	6.2
117.04019	5.9
117.07040	13.3
119.08577	34.0
121.10152	52.0
123.11706	18.1
125.09693	8.9
131.08560	28.1
133.10117	30.0
135.11700	43.9
137.05998	23.3
137.09647	7.6
145.10149	35.9
147.11710	25.1
149.09584	5.7
149.13290	30.7
159.11745	33.0
161.13295	13.9
163.07529	7.2
173.11943	6.3
173.13293	28.5
184.07436	8.3
205.19489	7.7
215.17934	86.7
233.19028	100.0
275.20093	11.7
276.20447	7.3
307.22705	23.7
325.23773	21.9
504.34006	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.05508	13.6
57.03442	11.7
59.05000	3.9
60.68774	1.6
61.02931	5.2
62.55071	1.6
65.03939	1.9
67.05498	4.6
69.03420	5.1
69.07058	2.1
69.72378	11.3
70.06607	2.5
73.02914	1.9
79.05495	3.2
81.03406	4.1
81.07037	6.0
83.04985	21.8
85.02912	11.5
86.09702	3.5
91.05480	100.0
93.07024	4.7
95.04937	1.9
95.08611	5.5
97.02897	3.7
97.06524	3.0
99.04448	3.1
101.06005	2.2
103.03974	1.8
105.07034	4.8
107.04973	2.3
107.08633	3.8
109.02913	2.4
109.06566	2.2
109.10151	3.4
119.08610	2.6
121.06550	2.5
121.10150	3.9
123.04393	2.3
125.09638	1.7
127.03925	4.6
129.07008	1.9
133.10136	2.3
137.05975	2.5
137.09575	3.6
141.01787	1.7
147.04428	5.7
147.11604	2.0
150.05551	1.9
155.08614	1.7
157.08609	40.5
159.09171	3.7
163.03885	7.8
163.11150	2.2
176.10706	2.1
178.05038	5.1
193.08606	99.0
196.16983	1.8
235.09647	11.8
244.15555	2.1
259.08167	2.8
275.12695	11.2
293.13928	5.1
312.08591	2.6
342.22787	4.3
369.11841	8.3
442.18634	2.8
465.08182	1.8
504.20673	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	504.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05513	1.1
57.03438	8.6
57.07074	22.3
61.02916	1.2
63.88468	0.5
67.05489	2.1
69.03429	2.7
69.07052	1.3
69.72696	3.1
71.01357	1.0
71.04965	0.6
71.08626	0.5
73.02895	1.7
76.03986	0.7
79.05469	2.1
81.03399	2.0
81.07053	3.6
82.07379	0.6
83.04945	0.6
85.02909	8.1
85.06541	24.5
86.06085	0.5
86.09705	0.7
87.04478	0.7
91.05486	1.2
93.07033	1.5
94.06589	0.8
95.01324	1.9
95.04945	0.7
95.08598	2.2
97.02884	2.3
97.06532	1.1
97.10152	0.6
99.04422	0.8
100.11251	1.0
103.03923	0.6
103.07582	8.0
105.07059	2.7
107.04951	55.1
107.08584	1.9
108.08889	0.8
109.02879	1.9
109.06420	0.5
109.10142	0.8
113.02367	1.3
116.10670	0.6
119.08575	2.3
121.10121	1.0
122.06001	2.1
123.11718	1.5
124.12045	0.6
127.03910	2.6
131.03410	1.2
133.10129	0.7
134.99585	0.6
135.11745	0.6
136.07587	1.3
137.05916	0.9
141.01790	2.9
145.04913	1.2
145.10170	0.6
147.04428	0.7
149.13226	0.9
159.02934	0.8
159.10164	100.0
160.10471	0.8
161.13251	0.7
163.11214	0.9
166.08681	0.6
182.15408	0.8
209.08081	28.5
214.18088	1.1
247.07806	0.6
261.09625	0.9
275.06989	0.7
293.08044	2.0
293.13815	22.9
304.60913	0.6
306.10550	0.6
335.13376	0.8
385.11304	0.6
407.13718	1.2
428.13998	1.0
486.26352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01869	1.3
55.05509	5.3
57.03438	1.6
61.02934	1.3
61.97663	1.0
64.13657	1.0
65.24684	0.9
67.05505	2.2
69.03436	9.6
69.07069	1.1
71.04990	2.4
71.56496	1.2
79.05489	1.3
79.84423	1.0
81.03421	4.9
81.07064	1.4
83.04981	2.3
85.02911	12.8
86.09701	2.0
87.00850	4.9
91.05474	5.4
93.07026	4.1
95.08610	5.4
97.02905	6.8
99.04459	1.1
105.01853	8.8
105.07038	15.0
107.08597	3.3
109.02882	4.5
111.04485	1.2
111.08062	4.8
117.06991	5.3
119.08587	38.2
119.40478	1.1
121.06518	16.2
121.10094	1.3
123.08066	4.6
127.03910	11.0
128.06181	1.0
129.07030	6.9
130.07758	2.0
131.08574	13.7
133.06555	2.0
133.10175	5.5
135.08040	3.6
137.05966	1.3
139.03902	1.3
139.07547	4.0
142.07816	3.5
143.08536	2.3
144.09349	21.1
145.04961	4.2
147.04373	1.2
147.08142	1.2
147.11707	19.5
157.10164	5.5
159.11703	100.0
160.08846	4.2
161.05937	1.1
161.09645	1.4
175.11194	36.6
175.14792	2.2
177.05528	1.2
177.12762	45.7
193.12267	3.4
203.10654	11.0
213.03908	1.8
221.11726	10.6
231.04970	3.5
239.12817	2.1
249.06126	2.1
281.34604	1.0
295.09167	1.3
312.09027	1.3
505.22974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05513	1.1
57.03438	8.6
57.07074	22.3
61.02916	1.2
63.88468	0.5
67.05489	2.1
69.03429	2.7
69.07052	1.3
69.72696	3.1
71.01357	1.0
71.04965	0.6
71.08626	0.5
73.02895	1.7
76.03986	0.7
79.05469	2.1
81.03399	2.0
81.07053	3.6
82.07379	0.6
83.04945	0.6
85.02909	8.1
85.06541	24.5
86.06085	0.5
86.09705	0.7
87.04478	0.7
91.05486	1.2
93.07033	1.5
94.06589	0.8
95.01324	1.9
95.04945	0.7
95.08598	2.2
97.02884	2.3
97.06532	1.1
97.10152	0.6
99.04422	0.8
100.11251	1.0
103.03923	0.6
103.07582	8.0
105.07059	2.7
107.04951	55.1
107.08584	1.9
108.08889	0.8
109.02879	1.9
109.06420	0.5
109.10142	0.8
113.02367	1.3
116.10670	0.6
119.08575	2.3
121.10121	1.0
122.06001	2.1
123.11718	1.5
124.12045	0.6
127.03910	2.6
131.03410	1.2
133.10129	0.7
134.99585	0.6
135.11745	0.6
136.07587	1.3
137.05916	0.9
141.01790	2.9
145.04913	1.2
145.10170	0.6
147.04428	0.7
149.13226	0.9
159.02934	0.8
159.10164	100.0
160.10471	0.8
161.13251	0.7
163.11214	0.9
166.08681	0.6
182.15408	0.8
209.08081	28.5
214.18088	1.1
247.07806	0.6
261.09625	0.9
275.06989	0.7
293.08044	2.0
293.13815	22.9
304.60913	0.6
306.10550	0.6
335.13376	0.8
385.11304	0.6
407.13718	1.2
428.13998	1.0
486.26352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
56.24919	0.7
65.03934	2.5
67.05505	2.0
69.03413	2.6
70.06584	1.3
71.58322	0.7
72.08130	1.0
83.04980	7.2
85.02904	4.5
86.09667	0.8
93.03391	1.8
95.04968	2.3
97.02912	0.9
98.23300	0.8
101.52335	0.7
106.06555	0.9
107.04955	0.9
110.06032	2.7
111.04452	5.3
116.98666	0.8
119.04955	0.8
122.06029	2.5
122.96318	0.8
123.04430	2.2
125.25358	0.8
127.03915	1.3
129.05470	1.1
134.06038	0.9
135.04396	2.5
137.05974	1.0
139.03918	1.8
145.02856	0.9
147.04436	1.8
150.05469	4.9
151.06274	2.2
152.07091	2.5
153.07001	2.7
161.02611	0.9
163.03940	2.8
165.07008	1.7
173.05992	2.1
177.07074	0.8
181.06456	3.7
185.06007	2.2
187.07550	2.1
189.05487	1.3
192.08118	1.2
193.06502	1.4
195.08090	1.5
197.05994	6.5
199.03952	1.2
199.07547	4.6
205.06459	1.1
209.06068	1.4
209.32071	0.7
210.09184	0.9
211.07570	3.5
213.05495	15.8
213.07487	0.8
214.08716	0.8
215.07014	2.8
220.07588	1.9
221.05994	3.6
221.08136	1.1
222.09171	2.5
223.03905	1.9
223.07587	3.1
225.05478	4.1
225.07907	2.4
226.06172	1.0
227.07024	7.1
231.06627	1.6
233.08377	1.0
237.05424	1.9
237.07700	0.9
238.08563	6.7
239.07083	11.9
239.09384	1.7
240.06525	4.7
240.10173	5.7
241.04985	16.6
241.07205	0.9
241.32855	0.8
243.06557	5.7
245.06862	1.0
249.05437	4.5
249.07910	3.4
250.08632	7.8
252.06514	1.9
253.04929	2.0
254.08195	5.9
255.06461	9.1
256.09570	4.3
258.07730	3.9
259.06036	3.3
266.08115	16.2
267.06445	2.8
267.08936	9.1
268.07190	0.7
268.09680	38.5
269.04449	46.2
269.07053	3.6
270.07504	1.6
273.07510	2.6
283.06125	4.2
284.09180	100.0
294.07617	16.0
294.10672	1.5
295.06018	4.4
312.08673	72.1
342.12009	1.2
458.14520	4.3
486.13956	73.6
487.13730	0.8
504.14859	23.9
513.13080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
50.70142	2.4
53.03929	2.2
55.01882	3.1
55.05501	6.6
56.75281	2.4
57.03438	17.1
57.26994	2.5
59.04989	4.7
61.02913	3.0
67.05495	9.2
69.03431	73.1
69.07068	14.1
71.59106	3.1
73.02905	2.6
73.07527	2.3
75.04472	5.3
79.05476	6.6
81.03419	5.8
81.07056	15.5
83.04982	3.0
83.08611	4.1
85.02429	4.5
85.02907	57.9
87.04468	49.4
91.05438	7.2
93.07069	12.1
94.06587	3.0
95.04971	12.1
95.08612	15.2
97.02895	49.5
97.06537	9.7
98.97568	2.8
99.04453	6.4
105.07020	9.0
107.04958	6.2
107.08617	13.3
109.02855	6.2
109.06506	7.3
109.10169	8.1
115.03929	48.4
119.08604	10.3
121.06522	5.1
121.10130	14.1
122.07291	6.9
123.08061	27.8
123.11698	7.2
127.03887	6.5
131.08569	2.7
133.04961	47.8
133.10144	9.4
135.08051	38.0
135.11682	10.8
137.05980	6.9
137.13249	2.9
138.09196	2.5
145.04935	4.1
145.10123	3.2
147.11699	7.2
149.09618	3.9
149.13246	5.7
159.11722	3.2
165.12752	30.5
173.13300	2.5
175.14838	6.7
191.14308	100.0
193.15863	17.7
207.13853	6.7
209.15366	18.6
219.13869	2.4
237.02829	2.5
259.28986	2.4
293.24918	2.6
299.06006	3.3
305.24615	4.7
309.16928	2.7
323.18381	5.2
341.19543	5.3
344.97446	3.0
353.19550	3.2
371.20569	15.1
485.30176	3.9
503.25003	75.7
503.32162	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	503.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01856	3.9
55.05508	16.2
57.03430	14.4
57.06818	2.0
57.07075	24.2
59.05002	1.9
61.02919	3.8
67.05501	21.3
69.03429	13.6
69.07067	29.8
69.44621	12.3
71.01336	1.5
71.04987	5.3
71.08598	1.4
73.02908	5.7
79.05498	15.2
81.03418	17.6
81.07054	68.9
82.07363	1.4
83.04981	4.6
83.08628	8.7
84.08109	1.4
85.02898	23.7
85.06539	33.7
87.04433	2.0
88.31726	1.2
89.06016	1.2
89.07616	1.2
91.03951	2.8
91.05432	9.2
93.07042	29.8
94.06538	1.5
95.01343	2.0
95.04965	8.1
95.08604	50.0
96.08095	1.5
96.53951	1.5
97.02879	13.1
97.06527	7.2
97.10155	12.4
99.04453	5.0
99.08107	2.9
100.11250	4.3
101.05962	1.5
103.05517	2.0
103.07580	6.6
105.07032	16.3
107.04951	67.3
107.08594	31.1
109.02870	15.2
109.06508	5.1
109.10152	21.9
111.04457	3.3
111.08064	12.7
111.11713	5.4
113.02359	1.7
113.09618	1.5
115.03972	2.2
115.07544	1.6
117.06938	1.5
119.04964	2.7
119.08568	15.7
121.06475	1.7
121.10129	24.4
122.06011	4.9
123.04464	1.8
123.08051	5.4
123.11700	36.5
123.12572	2.2
125.09612	5.1
127.03899	16.6
129.07001	2.2
131.03381	1.6
131.08559	4.2
133.06464	1.7
133.10129	11.6
135.08064	5.0
135.11682	12.6
137.05972	4.7
137.09641	2.9
137.13249	10.7
139.11151	10.0
141.01845	3.8
141.12730	1.8
142.07799	1.8
142.12225	1.6
143.08559	2.6
145.04970	4.3
145.10133	5.5
145.56285	1.5
147.04416	5.4
147.08005	2.2
147.11697	10.3
149.05931	1.5
149.09653	3.4
149.13245	20.1
151.07596	1.7
151.11160	4.2
151.14723	1.8
153.12775	3.4
157.10164	3.9
157.12215	5.8
159.10172	100.0
159.11649	6.7
161.09587	3.1
161.13235	7.5
163.07443	2.5
163.11168	3.5
163.14851	3.9
165.09074	2.3
165.12764	2.7
169.12306	1.7
171.11713	3.3
171.13760	1.6
173.09630	2.7
173.13261	2.8
175.11214	2.2
175.14877	3.7
177.16457	1.7
177.74567	1.2
179.14244	1.3
181.08620	3.2
182.15395	2.7
187.11328	2.0
187.13293	7.5
187.14839	2.4
189.12828	2.4
189.16374	2.2
191.10718	2.1
191.14240	7.5
193.08618	1.8
193.15906	2.0
197.11775	1.7
203.10764	2.4
203.12709	2.0
203.17740	1.6
205.15800	1.9
209.08073	29.4
209.13419	1.7
209.15161	2.0
210.14844	2.1
213.16446	1.9
214.18056	3.0
223.16951	1.6
235.16754	1.6
237.14793	2.3
237.18564	2.5
247.16933	1.9
249.18530	2.7
255.15912	1.8
265.58456	1.8
269.22668	1.7
275.23709	3.4
277.25198	2.1
287.23627	5.9
293.13855	23.5
293.24753	4.9
299.06213	2.8
303.23236	1.6
305.24734	16.5
313.16425	3.4
323.25763	6.1
331.17865	1.8
347.11359	1.5
395.25827	2.1
401.26608	2.6
407.13684	2.0
413.26703	4.5
419.28113	3.2
428.14417	7.4
431.27930	7.1
437.28854	4.5
449.28967	9.2
455.29965	2.5
467.30103	5.6
485.30884	3.3
503.23779	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	502.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01852	0.4
55.34641	0.1
57.03440	0.9
61.02921	0.6
66.22066	0.1
67.05463	0.2
69.03089	0.1
69.03429	2.7
69.07057	0.3
69.48873	1.1
69.63988	0.1
70.06569	0.1
70.35349	0.1
71.04980	0.2
73.02908	0.2
73.06550	0.1
76.93076	0.1
79.05470	0.3
81.03417	0.9
81.07030	0.3
85.02901	8.8
87.04424	0.2
91.03937	0.3
91.05475	5.5
92.05803	1.8
93.07038	0.2
95.04896	0.2
95.08554	0.3
97.02885	1.9
97.06543	0.3
98.21526	0.1
99.04425	0.4
101.02337	0.2
107.04920	0.2
107.08560	0.3
109.02879	1.1
109.10130	0.2
110.57018	0.1
115.07552	0.2
119.08405	0.1
121.02859	0.2
121.10069	0.2
127.03892	1.5
134.41223	0.1
137.05907	0.5
138.06335	0.2
145.04961	1.0
145.10191	0.1
147.04385	0.3
149.06021	0.2
151.03928	0.8
165.12814	0.1
177.05505	0.2
177.07031	0.2
184.07243	0.1
189.06947	1.5
190.07771	0.2
191.08553	0.8
193.08577	2.2
194.08920	2.3
195.08072	0.2
201.06889	0.4
202.07684	0.2
205.06503	0.3
207.08041	0.3
211.09743	0.3
212.10033	0.2
217.06468	2.1
218.07240	0.4
219.08049	1.4
219.10149	0.9
221.05962	0.2
223.07611	0.2
229.07614	0.3
229.80133	0.1
230.07089	0.2
231.07979	0.1
235.07494	0.7
237.09128	0.5
241.98970	0.1
245.05966	32.1
246.06371	0.7
247.07555	1.3
262.06219	0.3
263.06940	0.7
273.05447	20.3
274.05692	0.4
289.04846	0.3
291.06494	100.0
292.06857	1.9
305.08078	1.7
370.12106	0.3
408.03296	0.1
440.58200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.05516	2.2
57.44566	1.2
61.02922	2.1
67.05507	2.3
69.03425	6.2
69.07085	2.6
70.32585	5.2
71.04991	2.7
73.02946	1.5
76.65244	1.2
79.05491	1.5
81.03429	5.2
81.07056	6.0
83.04987	1.8
83.30926	1.5
85.02904	10.2
86.06083	1.4
87.04495	1.5
91.03945	1.6
91.05511	1.7
93.07057	3.4
95.04950	1.7
95.08644	3.4
97.02908	3.4
97.06511	2.5
97.10175	1.5
99.04457	3.2
105.07050	3.5
107.08593	3.2
109.02853	3.6
109.06522	1.9
109.10165	2.3
111.08105	2.2
119.08570	2.3
121.10146	1.6
123.08128	1.7
123.11731	2.8
124.12019	1.6
125.09701	1.9
127.03931	4.8
133.10146	1.7
135.11673	1.6
137.05981	3.4
141.05501	1.4
145.10219	1.6
146.63329	1.3
159.06563	4.1
159.07980	1.5
159.11758	1.8
161.09703	2.1
177.05559	1.5
178.05658	1.6
198.11340	3.8
199.11641	3.4
205.12225	1.9
216.12331	4.4
217.12631	4.6
218.07335	2.1
218.12816	3.3
245.06128	7.0
246.06717	3.7
259.07471	2.5
261.09058	3.7
262.06314	7.9
273.05438	10.4
277.08701	2.9
289.04993	6.3
290.05957	3.2
291.06488	29.7
292.40683	1.3
304.23477	1.6
305.08102	100.0
308.20267	1.3
323.09259	2.8
415.37701	1.6
457.66168	1.6
467.13470	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	501.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01862	5.8
55.05512	25.8
57.03444	20.0
57.07077	14.7
57.62744	1.8
61.02929	51.4
64.66513	1.9
67.05507	35.0
69.03426	25.8
69.06729	2.6
69.07077	44.1
69.55984	17.2
71.01332	3.8
71.04990	5.5
71.08621	6.7
73.02924	21.1
75.04499	2.5
79.05484	16.5
81.03423	17.0
81.07056	40.0
83.04975	4.8
83.08625	23.6
83.63876	2.3
85.02425	4.0
85.02908	52.1
85.10170	3.4
87.04454	4.2
91.03962	35.7
91.05484	4.9
93.07053	18.9
95.04965	1.9
95.08604	31.2
97.02895	48.9
97.06506	3.0
97.10182	18.4
97.52374	1.9
99.04442	5.7
101.02389	11.0
103.03938	7.0
107.08582	12.2
109.02870	10.7
109.10169	17.1
111.04380	2.1
111.08059	5.3
111.11712	8.2
115.03914	3.5
117.05495	5.0
119.08611	2.2
119.37865	1.9
121.10146	19.6
121.38166	2.3
123.11701	5.6
127.03913	21.8
129.05489	3.5
131.08533	2.6
133.10109	2.6
135.11693	17.3
145.04950	6.8
146.26692	2.1
149.13251	7.4
150.04126	2.1
153.12787	3.1
159.06560	3.2
160.13704	2.0
163.14830	4.9
165.16455	3.1
183.06531	6.1
201.07582	4.6
227.43648	2.0
247.24246	9.2
252.98506	1.9
257.13779	1.9
265.25287	31.8
310.99026	1.9
327.82626	2.1
339.28955	100.0
366.13629	2.1
367.28458	4.8
373.27515	4.6
381.30176	3.3
391.28668	2.8
409.29373	3.5
465.31708	4.0
483.33102	9.0
501.34326	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01870	2.4
55.05505	5.3
57.03431	6.0
61.02919	3.4
67.05495	6.7
67.12253	1.4
69.03433	4.9
69.07070	3.0
70.06588	5.1
71.04983	4.6
71.58997	2.9
72.10865	1.5
76.22660	1.2
79.05490	9.2
81.03420	100.0
81.07060	10.0
83.04986	6.2
83.08619	25.3
85.02910	6.6
86.09727	3.7
91.03986	2.7
91.05482	14.6
93.07039	7.2
95.04980	31.6
95.08591	3.7
97.02886	6.5
97.06550	2.1
97.10184	2.2
99.04470	2.9
104.10735	2.1
105.07027	11.7
107.04974	9.4
107.08588	4.9
109.02882	2.4
109.06488	2.8
111.04456	1.9
111.08095	12.6
114.55660	1.8
117.06997	2.1
119.04976	2.3
119.08615	12.8
121.06474	2.8
121.10152	7.6
123.04410	2.0
123.08080	2.5
129.07019	9.9
131.08583	10.2
133.06487	2.8
133.10147	4.0
135.11670	1.4
137.05928	2.1
137.09621	1.7
142.07780	1.9
145.10123	1.6
147.04414	2.5
147.08052	4.9
147.11685	10.3
149.09628	5.3
152.07068	1.4
157.10146	12.6
165.12720	2.5
175.11189	16.4
177.05409	2.2
184.07387	2.0
193.12242	75.5
203.10278	1.8
211.13290	7.1
235.13271	2.8
267.13022	1.8
267.15927	46.2
285.16971	94.3
309.17053	10.3
393.18893	2.1
429.21152	5.3
447.22150	3.0
500.22342	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	501.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58976	0.4
54.23551	0.4
55.05505	0.8
61.02909	0.4
67.05483	1.4
69.03416	1.2
69.07067	1.2
71.58830	0.6
73.02917	0.6
79.05476	0.6
81.03409	1.4
81.07040	1.5
83.04987	0.5
85.02888	1.2
91.05486	1.1
92.92687	0.4
93.07061	1.2
95.04978	0.7
95.08605	1.3
97.02889	0.8
105.06995	0.7
107.04974	0.6
107.08585	1.4
108.19228	0.5
109.02885	1.2
109.06460	0.7
109.10133	0.8
115.70811	0.4
119.08549	0.8
121.06483	0.5
121.10164	0.9
122.06031	1.1
123.11723	0.8
127.03883	0.9
131.08604	0.8
133.10146	0.5
135.04434	0.5
135.07996	0.6
135.11655	0.5
137.05988	1.3
145.10155	0.5
147.11615	0.5
149.09610	0.6
160.67032	0.5
177.05511	1.6
185.10532	0.4
266.42264	0.5
271.14005	0.5
357.18811	4.4
387.83746	0.4
399.19476	1.6
417.19791	0.6
439.23022	10.6
441.20831	6.6
466.28958	0.5
483.21957	0.9
501.23071	100.0
502.23456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.05492	0.3
57.41117	0.2
58.06594	0.4
60.08160	5.1
65.03912	0.3
67.05488	0.5
69.03416	0.7
70.06590	0.4
71.04968	0.4
71.07374	1.9
71.12340	0.4
71.12679	0.4
72.08102	0.3
72.68119	0.2
79.05479	0.4
81.03405	0.9
81.07040	0.4
85.02894	1.0
86.09704	26.4
91.05470	0.8
93.07023	0.6
95.04955	0.3
97.02896	0.7
98.97560	0.3
98.97894	0.2
98.98463	1.9
104.10740	2.2
105.07011	0.4
107.04932	0.3
107.08578	0.3
108.28896	0.2
109.02885	0.4
109.06478	0.4
116.98627	0.4
117.03375	0.3
119.04921	0.3
119.08528	0.5
121.10155	0.2
125.00004	17.8
127.03893	0.7
129.07060	0.2
131.08525	0.2
133.10088	0.3
137.05971	0.5
138.93840	0.2
142.07701	0.2
143.01054	0.4
143.54460	0.2
145.02853	0.9
146.03160	0.4
147.04410	1.2
147.11736	0.2
149.06064	0.2
149.09636	0.3
151.11240	0.3
177.05475	1.1
178.05818	0.9
179.05998	0.3
181.04927	1.3
184.07335	100.0
185.07617	0.6
188.53302	0.2
193.12259	0.2
204.84782	0.2
228.41469	0.2
235.11708	0.3
236.11848	0.2
258.11005	0.3
259.09726	0.2
291.25092	0.3
303.04929	0.3
364.54868	0.3
427.16724	0.3
432.21646	1.3
450.22543	10.8
455.34756	0.3
482.25082	0.3
500.26990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
54.39462	0.7
55.01877	1.2
55.05501	0.9
56.34541	0.8
57.03425	2.3
58.94774	0.8
61.02913	2.2
69.03432	11.2
70.06588	1.0
70.20026	2.8
71.04996	4.4
71.08630	4.1
73.02916	3.3
81.03415	13.4
81.07058	3.1
83.04984	1.8
83.58404	1.0
85.02906	64.5
85.06541	1.6
86.06092	0.8
86.09692	1.5
91.05459	2.0
91.77645	0.7
93.07040	1.7
95.04964	1.1
97.02893	23.4
99.04456	38.3
99.08106	1.9
103.03944	85.9
105.07027	1.4
109.02888	16.2
109.06509	3.3
111.95224	0.8
117.09112	3.6
119.08586	1.8
123.69184	0.8
127.03915	100.0
137.06026	1.2
141.09125	5.5
145.04961	59.2
159.10178	1.7
163.06021	65.8
177.11218	3.4
187.06148	5.7
187.07617	1.3
187.09637	1.9
193.12207	1.6
205.07024	4.6
237.02931	1.0
243.12193	1.5
253.07088	1.9
267.09247	0.8
267.12338	2.2
267.16077	1.4
268.10574	1.3
271.08142	8.2
275.06906	1.1
283.15503	1.3
285.10117	1.2
285.16718	2.2
289.09186	7.3
307.10306	15.5
321.15472	4.2
328.55746	0.9
345.15442	4.9
353.02768	0.9
429.17584	2.4
447.18356	1.4
485.17273	1.1
500.17596	1.0
500.21912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84619	0.3
51.70541	0.3
55.01879	0.6
55.05506	0.9
60.04525	0.7
62.06089	1.4
67.05511	0.6
69.03429	0.9
69.07080	0.6
70.02975	0.5
70.06618	0.5
70.98340	0.3
70.98653	0.7
71.08630	3.6
72.08149	1.1
73.02930	1.5
75.95628	0.4
79.05494	0.7
81.03425	1.4
81.07069	3.0
82.06612	0.3
83.04984	0.6
83.08620	0.5
83.20287	0.3
85.02915	1.4
86.06069	18.1
86.87100	0.3
91.05482	1.0
93.07046	1.1
95.01347	1.3
95.04982	0.6
95.08619	0.9
96.08146	1.2
97.02892	3.0
97.06597	0.7
98.09696	1.7
99.04475	0.5
99.08085	1.5
101.02390	3.7
105.07011	0.5
107.08617	1.1
108.08131	1.3
109.02886	0.5
109.06529	5.5
109.10143	0.4
110.09634	0.4
111.08086	3.5
113.02355	0.7
113.05979	0.3
116.10736	10.9
119.08571	0.5
120.97258	0.3
121.06477	0.4
121.08886	0.6
121.10127	0.4
122.06013	0.5
123.00806	3.2
124.07599	0.4
124.11235	0.8
125.02328	1.6
127.03921	0.7
131.08575	0.3
133.10150	0.5
133.97411	0.3
134.09674	1.8
135.08107	0.5
135.10364	0.3
137.05980	4.2
138.09135	1.3
141.01839	1.6
142.08661	0.8
142.12271	3.6
143.03455	0.4
143.10686	10.7
145.05005	0.7
145.10135	0.4
147.04436	1.4
152.10732	1.8
155.07002	0.3
161.98593	0.3
162.05571	0.4
162.09160	0.4
163.03876	0.3
164.07057	0.4
166.08650	0.6
169.01317	3.4
169.02635	0.4
170.11784	4.9
180.10193	2.8
187.02330	0.4
198.11266	52.4
199.11658	0.4
214.17987	1.1
216.12318	100.0
217.12543	0.7
278.17505	0.4
296.18585	8.1
314.19623	20.8
384.12894	0.6
402.13950	4.2
425.77142	0.3
441.12881	0.3
482.20142	1.4
500.22021	1.6
500.28824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
53.98278	0.9
55.01845	0.8
55.05520	1.3
56.96556	0.9
67.01854	1.0
67.05490	2.0
68.99798	1.3
69.03426	5.5
69.07062	2.0
71.04990	2.9
71.59558	1.1
79.05499	1.9
81.03428	8.6
81.07056	3.6
83.04972	1.4
85.02911	4.7
86.06059	2.1
87.00833	1.4
89.03928	5.9
91.05483	4.3
93.07042	2.9
93.81626	0.8
95.04958	1.4
95.08611	2.9
97.02896	9.3
97.06536	2.6
97.10218	1.0
99.04438	2.6
99.08095	0.8
105.01858	1.5
105.07025	1.4
107.08607	1.6
107.60246	0.8
109.02885	9.5
109.06546	1.1
109.10167	2.7
111.08097	1.4
116.10686	1.4
116.98664	0.8
117.03387	18.5
119.08582	2.0
121.06475	1.7
121.10140	2.1
125.02364	0.8
126.80593	0.8
127.03926	10.4
131.08542	1.7
133.10101	1.9
134.03659	1.3
135.04411	2.3
135.11713	1.2
137.05991	2.5
139.11163	1.4
143.10709	1.1
145.02852	49.8
145.10075	1.0
147.04422	0.9
147.11684	1.0
149.06012	7.1
149.09665	1.0
151.07535	1.0
159.11722	1.1
161.13318	0.8
163.03947	1.0
169.01387	1.6
177.05481	100.0
178.05766	1.4
180.35405	0.8
186.05588	2.6
191.14331	0.9
195.06485	4.2
198.11301	5.8
213.03929	0.9
216.12297	9.2
244.37140	0.8
251.16431	1.3
259.09692	0.8
274.34842	0.8
301.21631	1.2
314.19687	2.0
321.09680	3.3
399.71915	0.9
413.21207	1.0
425.10840	21.9
455.22339	2.2
481.27603	1.0
499.21548	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	498.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60308	0.3
55.01891	0.3
55.05509	0.4
56.96563	0.3
57.03415	0.3
58.06599	0.5
63.52845	0.3
67.05500	0.7
69.03404	1.4
69.07052	0.4
69.29501	3.0
69.29906	0.5
70.06572	0.8
71.16940	0.4
72.08153	5.5
79.05475	0.6
81.03421	0.7
81.07044	0.5
83.04967	0.4
84.08129	0.8
85.02886	1.2
85.06545	0.6
86.09691	0.4
86.93945	0.3
87.04456	0.4
89.03912	4.8
91.05466	0.7
93.07026	0.6
95.04955	0.5
97.02880	0.9
97.06511	0.4
98.20662	0.5
103.02084	0.3
105.06995	0.6
106.02071	0.3
107.08585	0.8
109.02902	0.6
109.10147	0.5
111.04461	0.3
112.11214	2.2
115.03916	0.7
117.03381	16.8
121.10120	0.6
123.11699	0.5
127.03873	0.7
127.11176	0.8
127.69840	0.3
129.13852	1.7
131.04968	0.3
133.04985	0.5
133.10098	0.4
134.03616	1.7
135.04391	1.3
135.11688	0.6
137.05991	1.0
139.11140	0.4
145.02852	60.8
145.10139	0.5
146.16518	1.0
147.04465	0.6
149.05988	6.7
155.11763	1.2
162.03165	0.4
163.03914	0.8
163.07495	0.5
163.11160	0.5
169.10875	0.4
169.12227	1.4
172.14412	0.5
176.06989	0.6
177.05473	100.0
178.05846	0.8
184.07408	0.6
186.05557	1.6
209.11682	0.4
218.08237	0.4
219.08858	0.7
233.12877	1.3
234.11252	45.5
235.11656	0.7
248.12802	4.4
283.15582	1.9
295.08368	0.9
301.16434	2.3
303.04968	0.7
304.20175	0.7
305.18555	3.4
322.21280	10.7
324.12329	0.8
348.19220	0.4
356.97205	0.3
412.19772	0.3
454.21329	1.0
480.25003	0.7
481.23874	0.5
498.20364	5.7
498.26059	90.5
499.26538	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
57.07078	36.7
69.07069	2.6
69.32857	1.5
69.33257	5.5
69.82337	0.7
71.08636	25.5
73.06559	5.4
83.08617	2.4
85.10187	23.8
85.10715	0.8
87.04469	4.3
89.06033	100.0
90.06415	1.0
91.07555	0.8
93.07063	0.8
97.10194	3.4
99.11729	4.2
105.90588	0.8
107.07076	3.6
113.13280	1.8
117.09142	5.0
130.05995	0.6
130.08636	4.7
131.07043	1.5
133.08607	55.1
135.10173	1.0
151.09703	0.7
155.18001	4.8
161.11728	1.5
161.13043	0.8
177.11234	22.9
184.07301	0.8
195.12260	0.8
199.20580	4.2
221.13870	4.2
239.14946	3.7
240.23311	2.3
243.23209	13.9
279.26941	0.8
283.17395	3.7
287.25793	8.4
327.20126	15.1
327.23785	0.8
393.32132	1.8
437.34747	1.9
481.37354	28.9
498.40277	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	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01295	2.5
53.03939	7.5
55.01867	8.0
55.05507	23.6
57.03434	38.8
57.07073	10.0
60.96049	3.4
61.02927	70.2
67.05502	83.3
69.03427	38.6
69.07069	22.4
71.01347	4.1
71.04993	6.3
71.43169	4.1
72.22973	2.9
73.02911	38.8
77.20911	2.8
77.75742	2.7
79.05487	62.2
81.00522	2.9
81.03423	21.1
81.07058	94.7
83.04976	7.9
83.08613	18.7
85.02906	68.6
85.06554	5.5
87.04462	4.0
91.03957	37.4
91.05472	50.7
93.07044	76.1
95.04950	14.4
95.08601	72.4
97.02886	53.6
97.06517	6.0
97.10189	6.0
99.04463	7.2
99.08080	6.0
101.02379	11.5
103.03959	9.6
103.55448	3.0
105.07029	39.8
107.04955	7.6
107.08590	46.5
109.02881	8.4
109.06516	10.9
109.10169	31.1
111.08062	3.3
115.03943	4.9
115.05394	4.3
117.07015	27.3
119.08584	41.5
121.06512	5.8
121.10149	35.7
123.08093	7.1
123.11714	11.8
127.03904	17.6
128.06242	3.6
129.05479	8.2
129.07004	11.0
131.08571	40.3
133.06416	3.3
133.10117	25.4
135.08066	6.3
135.11703	24.5
137.13255	7.2
141.07018	3.4
143.08586	11.2
145.04962	7.4
145.06491	5.1
145.10130	25.6
147.08064	8.4
147.11694	21.1
148.61319	2.8
149.09598	3.2
149.13255	21.7
151.14859	4.8
155.08609	5.9
157.10159	10.7
158.83379	3.2
159.08080	5.9
159.11662	16.1
161.09610	4.0
161.13293	12.7
163.14809	11.9
169.10161	7.7
171.08025	3.9
171.11725	10.4
173.13269	16.3
175.11243	5.3
175.14857	11.5
177.12675	3.8
177.16391	5.9
181.52621	2.5
183.06537	4.4
183.11748	5.1
184.07353	12.4
185.13260	8.9
187.14848	11.4
189.12767	6.4
189.16449	4.8
195.11758	4.7
197.09560	3.6
197.13312	5.3
199.11314	4.1
199.14806	5.1
205.15976	3.0
233.22893	3.6
241.19479	3.9
243.21164	11.7
255.20955	3.6
259.20514	7.0
261.22095	34.6
267.75153	2.9
273.22232	3.9
275.23837	4.1
277.21741	4.4
279.23325	5.6
285.22342	6.3
289.21588	3.4
291.23242	4.4
299.23807	5.8
301.21637	4.8
303.23169	16.5
309.22192	4.0
313.21609	3.3
315.23160	12.7
317.24832	10.8
327.23306	8.6
333.24332	5.2
335.25772	51.8
341.24808	6.2
345.24341	3.1
347.25769	3.8
351.23282	10.5
357.24500	4.0
359.25781	3.4
365.26971	6.3
369.24283	20.4
375.25330	3.6
377.26965	12.2
387.25348	10.0
389.26968	5.4
393.25330	3.1
405.26312	5.4
419.28165	12.4
425.26898	7.3
431.27905	10.2
443.27945	51.7
461.28888	29.5
479.30035	28.1
497.31140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
67.05512	1.0
69.03441	1.3
69.07063	0.7
70.06592	0.7
71.17721	1.0
72.86074	0.4
79.05500	0.4
79.86016	0.5
81.03419	0.6
81.07059	1.4
83.05008	0.5
85.02913	1.4
85.06520	0.4
91.05495	0.8
93.07066	1.1
95.04993	1.0
95.08627	0.7
95.55807	0.4
97.02884	0.6
97.06524	0.5
98.28796	0.4
99.04451	0.6
105.07062	1.7
107.08595	2.2
109.02913	0.9
109.06537	0.6
109.10178	1.2
118.72488	0.5
119.08597	1.6
121.10190	1.3
123.04415	0.5
127.00143	0.8
127.03931	1.1
131.08627	1.0
133.10185	1.2
134.10550	0.4
135.08102	0.4
136.07616	0.5
145.10094	0.7
147.11790	0.6
151.03891	0.5
158.11018	0.5
161.02989	0.6
163.03970	1.1
173.02437	0.5
173.13377	0.7
185.04343	1.1
187.00897	0.5
189.21126	0.4
203.05373	1.5
227.05345	0.9
231.13631	0.9
245.06371	2.9
249.14676	1.8
271.04221	2.2
289.05298	7.6
295.06070	0.7
300.15314	1.3
316.21573	0.4
323.05673	1.0
351.16809	0.5
393.18732	3.1
406.97177	0.5
411.20020	4.2
435.20154	0.9
453.20941	11.7
468.82346	0.5
475.16888	0.5
479.19046	1.4
497.20148	100.0
498.20541	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05502	1.6
57.03426	0.6
61.02925	1.4
65.91206	0.4
66.53114	0.5
67.05502	1.9
69.03433	1.8
69.07064	1.4
69.43300	4.3
70.06599	0.6
71.04983	0.7
79.05518	1.2
81.03419	1.6
81.07059	2.3
83.04984	4.2
83.08613	1.4
84.04521	0.5
85.02902	2.6
85.06558	0.5
91.03967	1.1
91.05491	1.4
93.07059	1.9
95.04948	0.9
95.08598	1.5
97.02889	1.9
97.06533	1.2
97.10156	0.6
98.97639	0.6
99.04447	1.2
105.07051	1.8
107.08611	2.8
109.02894	1.6
109.06516	1.1
109.10150	2.3
111.08089	0.6
119.08597	0.8
121.10135	1.7
122.06054	0.6
123.08047	0.9
123.11723	0.6
125.09711	0.8
127.03925	2.2
129.06979	0.5
131.08574	0.7
133.10135	1.0
134.99733	0.6
135.11726	0.6
137.05981	1.6
145.02892	0.6
145.10187	1.1
147.04422	2.0
147.11696	1.1
149.05991	0.6
149.09535	0.6
149.13245	0.6
151.11182	1.5
153.05457	0.6
159.08076	0.6
159.11575	0.6
161.09641	0.6
163.11223	0.5
166.79176	0.5
167.14310	5.1
173.13269	0.5
177.05450	0.7
191.10759	0.6
193.12314	0.6
209.15356	2.7
231.13667	2.6
245.06366	1.9
249.14584	7.9
267.32605	0.5
277.14240	0.8
289.05164	5.0
290.05823	0.5
291.14706	0.7
293.21149	0.5
337.13071	0.5
388.39307	0.5
411.19904	11.8
435.20206	0.6
453.20984	19.4
454.21060	0.9
471.72113	0.5
497.19974	100.0
498.20184	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	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05032	1.1
57.07076	3.4
58.06594	1.1
60.07876	0.9
60.08164	13.9
67.05493	0.8
69.07073	0.7
70.18578	1.0
70.18971	1.8
71.07381	4.4
71.08632	1.8
81.07040	0.5
82.12606	0.5
85.10193	1.1
86.09709	39.8
95.08614	1.4
96.53953	0.5
98.98476	2.7
104.10748	100.0
105.11081	1.1
125.00008	23.1
163.01550	0.9
184.07347	93.6
185.07710	0.8
235.34512	0.6
238.46999	0.5
258.11124	1.0
313.27448	1.5
447.76321	0.5
478.32907	10.1
479.32651	0.7
496.34015	47.0
497.34259	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	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.4
57.07069	0.9
58.06614	0.5
60.07876	0.4
60.08167	6.0
69.94250	0.6
69.94649	1.4
71.07379	2.2
71.08639	0.4
72.90483	0.3
81.07050	0.6
86.09710	27.6
93.81827	0.3
95.08607	0.4
98.21449	0.6
98.98460	2.3
104.10752	3.2
109.10191	0.4
121.82317	0.3
125.00011	18.8
139.52045	0.3
143.01060	0.5
184.07347	100.0
185.07683	0.3
195.70905	0.3
200.95567	0.3
228.75613	0.3
252.99686	0.3
313.27420	0.4
353.22357	0.3
478.33002	1.3
496.34253	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	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70124	0.6
55.01879	0.7
61.14903	0.6
67.05493	2.1
69.03439	2.9
69.07070	1.5
70.06590	0.9
70.99317	1.7
71.05004	0.8
79.05497	1.2
81.03432	2.0
85.02923	2.5
86.09711	0.7
88.85032	0.7
91.05494	2.4
93.07039	1.2
95.04955	0.8
95.08622	0.8
97.02890	1.1
97.06538	0.8
105.07048	1.8
107.04996	0.8
107.08617	2.1
108.04483	1.2
109.02887	2.3
109.10143	1.0
110.06033	0.7
119.08647	0.7
120.08118	0.8
121.10210	1.2
125.09660	0.7
127.03922	2.1
127.18607	0.7
131.08595	1.0
133.10191	1.0
136.07584	5.9
137.05986	1.1
140.07071	0.7
141.05534	0.9
144.69873	0.7
145.10123	0.9
147.04420	1.8
149.51801	0.6
150.05473	0.9
151.03960	1.5
164.07124	1.3
166.76616	0.6
168.06641	0.7
171.11682	0.6
173.13292	0.9
177.00876	0.6
177.05522	1.1
183.83281	0.6
203.05351	1.2
231.13588	1.1
245.06270	3.2
249.14714	2.3
254.56267	0.7
271.04352	0.9
289.05304	15.1
289.08261	1.1
358.15393	1.3
395.16351	0.9
411.19965	3.5
423.12769	1.7
435.19946	1.8
453.21011	11.0
479.18680	7.4
497.20041	100.0
498.20190	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35863	1.2
53.03949	2.6
53.34531	1.3
55.05497	2.4
57.03446	2.6
60.77763	1.4
61.02912	4.9
65.47391	1.3
67.05496	3.1
68.05824	1.3
69.03432	13.2
69.07072	3.7
70.86043	3.9
71.04982	5.3
71.08640	16.4
73.02919	3.3
79.05491	2.6
81.03417	13.7
81.07043	1.8
83.04977	1.5
83.08622	1.7
85.02905	68.9
86.09660	1.5
87.04454	2.2
91.03941	2.5
91.05475	2.3
93.07061	2.9
94.06551	1.8
94.20994	1.3
95.04938	1.7
95.08614	2.6
97.02892	20.7
97.06551	3.9
98.09739	1.4
99.04454	40.7
99.07483	2.5
99.08098	38.7
103.03941	100.0
105.07035	2.9
109.02885	17.5
109.10139	2.3
111.04443	2.2
116.82250	1.4
119.04960	1.5
119.08559	1.9
122.06053	2.4
127.03919	95.8
129.12798	6.8
131.08498	1.7
137.05972	3.9
145.04962	62.3
146.06085	1.6
147.04410	5.1
155.08568	2.3
163.06020	87.5
165.09155	1.6
169.05005	1.8
173.15390	23.0
177.05498	2.3
180.08673	1.5
184.07272	2.4
187.06087	7.0
205.07076	5.7
271.08154	7.0
274.12613	1.5
289.09186	5.1
299.18405	1.9
307.10254	18.9
315.13483	1.3
323.05643	2.7
334.20874	2.9
377.62939	1.6
460.67947	1.5
478.27762	1.7
496.25656	15.3
497.26602	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	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03731	0.2
53.03931	1.2
55.01873	0.5
55.05518	1.0
57.03431	1.6
57.07074	1.7
61.02921	3.0
61.43528	0.2
65.03929	0.3
67.05505	3.9
69.03427	6.2
69.07060	3.0
70.06594	0.5
71.04988	1.1
71.08653	0.3
73.02912	1.3
79.05488	7.6
80.09634	0.2
81.03422	2.3
81.07052	100.0
82.07392	0.9
83.04987	0.5
83.08627	0.5
85.02900	40.3
87.04483	1.0
91.03947	2.8
91.05492	0.7
93.07034	1.3
95.04971	0.6
95.08602	16.5
97.02888	10.4
97.06513	0.6
98.97600	0.3
99.04435	1.8
103.03918	0.5
105.07021	0.4
107.04974	0.4
107.08581	0.9
109.02866	3.6
109.06499	0.4
109.10160	1.3
110.07142	0.3
115.03900	0.6
119.08562	0.7
121.06474	0.3
121.10136	0.4
122.06016	0.9
127.03908	11.7
131.08499	0.4
135.11609	0.4
136.07506	0.3
137.05974	0.6
137.13249	24.0
138.13596	0.3
138.30875	0.2
143.08475	0.3
144.06514	0.4
145.04951	23.4
147.04391	0.5
147.06737	0.3
154.15858	0.5
155.14278	0.3
159.11765	0.3
163.06012	10.5
163.11018	0.3
165.09109	0.2
173.13116	0.3
174.05571	0.2
177.05412	0.6
180.08742	0.4
181.07060	0.3
189.00682	0.2
189.09120	0.4
192.75290	0.2
204.08560	0.4
217.44160	0.3
253.10178	0.3
271.08032	0.4
289.08926	0.7
303.06763	0.3
325.11316	3.0
351.63824	0.3
416.24295	3.1
421.43988	0.3
434.24847	1.0
460.26907	0.6
478.28058	1.3
496.21991	1.0
496.28958	0.6
497.19324	0.9
520.03979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01861	2.0
55.05508	6.0
56.96556	1.0
57.03422	2.5
57.07050	0.8
59.04992	1.7
61.02914	2.2
67.05510	5.3
69.03439	1.5
69.07057	1.4
69.52957	5.2
69.53370	1.3
70.06581	3.0
71.01322	0.9
71.04980	1.2
78.88042	0.8
79.05479	3.7
81.03387	2.3
81.07053	5.8
83.04958	1.7
83.08627	5.8
84.08135	1.3
85.02890	3.4
85.06540	1.8
86.09709	1.0
90.30059	0.8
91.03937	1.4
91.05484	8.8
93.07036	8.0
95.04969	2.6
95.08592	2.5
97.02914	4.2
97.06522	2.8
98.09686	2.7
99.00815	9.9
99.04393	0.9
105.07024	6.2
107.04948	3.5
107.08588	4.9
109.02892	7.0
109.06552	1.2
109.10149	2.6
111.04443	1.7
111.08079	2.8
117.07008	1.9
119.04951	1.2
119.08589	6.1
121.06537	3.6
121.10139	1.0
123.04383	1.6
123.08110	1.4
127.03924	4.4
131.08574	1.0
133.06459	0.9
133.10126	21.1
135.08046	1.6
135.11670	1.5
137.06004	3.7
137.09572	1.1
139.07503	2.0
140.07042	0.8
143.08562	2.2
145.04988	1.1
147.04408	2.2
147.08046	1.1
149.01216	1.0
151.11194	7.7
161.09621	12.3
163.11221	2.2
169.50122	0.9
171.08029	3.8
175.06287	1.2
177.05486	0.9
179.10651	7.1
180.06567	1.3
184.07358	1.3
187.07260	0.8
189.09064	7.3
196.07271	1.0
197.11726	2.5
204.10196	2.1
207.10182	3.0
209.15431	0.8
225.11185	10.4
243.12354	5.3
281.13754	4.8
299.14899	100.0
300.15891	9.8
303.05072	1.6
317.15997	2.4
318.16934	0.9
344.18631	1.4
362.19388	2.5
411.19211	1.1
453.21130	1.7
461.20056	1.0
496.18512	3.2
496.24310	3.1
497.19910	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01870	10.5
55.05518	20.8
56.96568	3.6
57.03435	16.5
57.07072	5.9
61.02932	27.8
65.03928	4.0
67.05166	3.4
67.05507	47.9
69.03432	19.2
69.07072	21.1
69.33894	19.4
70.06603	3.2
70.47755	2.3
71.01367	5.0
71.04984	6.1
73.02916	20.6
75.04501	2.2
79.05495	45.6
81.03424	19.6
81.07058	49.1
83.04995	8.4
83.08633	12.2
85.02905	30.1
85.06546	2.7
86.09683	2.4
89.77911	2.2
91.03954	18.6
91.05484	54.8
93.07047	52.1
95.04974	16.7
95.08604	33.0
97.02905	27.5
97.06550	6.9
97.10157	3.4
99.04463	4.0
103.03957	5.7
103.05443	2.8
105.07037	55.8
107.04951	9.8
107.08592	31.4
109.02901	3.4
109.06550	8.6
109.10178	13.3
111.04463	7.8
111.08115	5.1
115.03952	2.4
115.05437	6.1
117.07028	31.0
119.08584	40.6
121.06529	8.4
121.10148	22.4
123.08095	6.3
123.11705	3.9
124.93160	2.3
124.94102	2.5
125.09624	4.0
127.03923	8.3
128.06244	6.4
129.05484	5.2
129.07008	19.8
130.07816	3.0
131.04904	2.5
131.08586	44.1
133.06505	10.1
133.10129	35.2
134.59448	1.7
135.08070	7.6
135.11707	15.0
137.05988	4.0
137.09612	2.9
141.07007	10.8
142.07816	8.1
143.08572	26.9
145.04971	2.7
145.06500	7.5
145.10120	39.8
147.08040	10.1
147.11691	20.9
149.05920	2.0
149.09637	7.9
149.13292	8.8
153.06982	2.9
153.66042	1.9
154.07845	3.7
155.08565	16.4
157.06523	6.5
157.10127	28.3
159.08081	9.2
159.11700	23.9
161.09683	7.7
161.13228	12.5
163.11214	3.7
163.14854	3.4
166.07745	2.1
167.08598	8.3
168.09351	3.1
169.10158	14.6
171.08102	5.7
171.11694	21.6
173.09662	7.6
173.13251	17.5
175.11206	4.9
175.14859	5.7
177.12775	3.8
181.10168	7.0
183.08101	4.8
183.11705	11.7
184.07422	2.2
185.09668	8.5
185.13274	14.5
187.11227	6.0
187.14850	8.1
189.12831	5.2
191.10751	2.9
191.14322	2.3
193.10164	4.3
195.08105	3.8
195.11755	8.5
197.09660	4.7
197.13319	10.1
199.11258	8.0
199.14853	7.2
201.12834	6.6
207.11856	2.6
209.13324	3.5
211.11230	6.6
211.14882	3.4
213.12857	5.7
215.14377	3.4
215.70355	2.0
221.13377	3.4
223.11365	2.5
223.14876	2.1
225.12810	4.3
225.16467	2.6
227.14375	4.6
237.12753	3.3
239.18068	2.1
241.09602	2.3
241.19609	5.9
247.13432	2.5
253.19431	2.4
257.19138	4.2
259.20557	12.8
267.09125	2.3
269.19055	3.8
271.20529	10.7
275.20139	4.3
277.21786	5.9
283.20605	4.7
285.10120	3.6
285.22189	3.5
287.20068	2.3
289.08578	2.7
295.20764	3.5
299.20224	2.6
301.21652	10.0
311.20276	3.1
313.21704	6.0
315.23273	4.7
321.22095	2.3
324.15253	2.2
325.21741	7.6
333.24347	23.8
337.21802	3.1
339.23181	8.6
343.22794	7.2
345.24210	4.8
345.31906	2.7
349.17484	3.5
349.21683	9.4
355.22458	2.5
357.24243	3.7
361.23755	12.6
363.25409	5.8
367.22693	22.0
373.23663	4.9
375.25250	17.1
385.23798	13.5
387.25327	7.3
399.25287	4.2
403.25049	8.8
405.26428	2.8
411.25421	2.7
417.26410	17.9
429.26422	12.3
441.26468	37.6
459.27414	37.0
477.28525	38.7
495.29608	100.0
495.39984	12.1
496.29968	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.5
55.01876	9.8
55.05286	3.7
55.05516	30.0
57.03440	40.6
57.07067	3.5
57.82069	3.3
59.99485	3.0
61.02644	4.1
61.02932	59.7
65.03927	4.1
67.05511	65.7
69.03435	37.5
69.07070	22.6
70.08457	5.5
70.08868	11.8
71.01373	7.7
71.04998	9.2
73.02924	30.0
79.05499	72.6
81.03420	29.7
81.06583	4.5
81.07063	71.2
83.04996	18.0
83.05386	2.7
83.08620	14.7
85.02911	67.3
85.06557	3.0
85.82809	2.9
85.83356	2.5
86.03297	2.4
87.04483	6.0
91.03951	32.2
91.05489	80.6
93.07053	80.7
95.04964	21.6
95.08617	51.4
97.02895	48.1
97.06538	11.1
97.10175	5.1
99.04480	7.3
99.08143	2.8
101.02372	7.7
103.03943	7.1
103.05457	5.7
105.07043	70.8
107.04987	11.6
107.08598	41.6
109.02883	5.4
109.06522	11.3
109.10165	22.5
111.04469	9.3
111.08117	4.1
115.03918	6.6
115.05441	6.8
116.06327	2.8
117.07017	38.5
119.08592	57.8
121.06531	10.2
121.10139	35.4
123.04495	3.8
123.08109	5.5
123.11752	6.1
125.09635	4.4
127.03921	15.9
128.06267	8.5
129.05516	8.2
129.07016	25.4
131.08569	50.9
133.06480	6.1
133.10136	42.6
134.10440	2.9
135.08087	8.6
135.11713	27.9
137.05984	4.2
137.09535	2.7
139.79880	2.7
141.07010	6.8
142.07805	4.5
143.08549	27.4
145.05000	6.3
145.06473	4.2
145.10120	50.2
147.08051	7.2
147.11708	34.2
149.09651	6.5
149.13254	17.7
155.08591	13.4
156.09351	3.1
157.10109	27.3
159.08052	5.5
159.11708	30.5
161.09651	7.8
161.13231	14.4
163.11214	6.6
163.14864	4.3
164.93047	3.2
167.08653	6.9
169.10170	8.2
171.08110	4.9
171.11702	23.2
173.09676	7.5
173.13264	19.6
175.11243	4.7
175.14883	7.5
181.10197	8.8
183.11783	12.1
184.07399	9.0
185.09703	8.3
185.13327	14.3
187.11203	7.2
187.14888	6.9
189.12839	4.7
189.76526	2.9
191.14328	3.2
195.11790	7.7
197.13350	10.1
199.11264	4.9
199.14865	7.3
201.12772	4.4
207.13799	3.2
209.13351	4.7
211.11200	5.6
213.12935	3.6
213.16469	3.6
213.30211	2.9
223.14990	3.9
236.82784	3.1
239.18007	5.3
241.19618	9.5
249.14944	3.0
253.19653	3.0
257.18997	5.2
259.20587	22.4
267.08893	3.2
271.20596	7.2
275.20154	6.3
277.21783	6.7
283.20612	5.5
285.10388	3.8
285.22159	3.4
287.20001	3.7
289.21790	5.8
299.20175	7.2
301.21744	12.3
313.21713	10.6
315.23376	5.0
325.21515	8.3
329.25134	3.2
331.22998	5.3
333.24243	47.5
339.23373	9.6
343.22629	5.1
345.24298	6.3
349.21814	9.4
351.25012	3.5
355.22778	4.1
357.24408	5.2
361.23972	6.3
367.22650	19.6
375.25400	10.1
385.23560	14.0
387.25372	8.6
399.25305	3.9
403.24994	11.1
405.26419	3.4
417.26379	9.7
429.26666	9.9
441.26324	43.7
441.31860	3.9
459.27515	33.3
463.27972	3.8
477.28479	39.0
495.29684	100.0
496.30005	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.2
55.01867	12.0
55.05523	35.8
56.96573	4.6
57.03440	30.4
57.07066	8.4
61.02923	42.2
65.03960	5.4
67.05506	86.3
69.03429	34.5
69.07084	34.8
70.25777	14.7
71.01341	6.6
71.04969	13.0
73.02921	34.4
79.05058	7.7
79.05495	79.0
81.03419	31.6
81.07059	76.7
83.04980	16.4
83.08617	15.2
85.02914	52.6
85.06529	6.6
91.03968	30.8
91.05483	77.9
93.07047	88.9
95.04964	22.8
95.08605	61.7
97.02901	52.7
97.06517	10.7
97.10144	7.8
99.04437	9.6
99.08106	6.1
99.63243	4.9
101.02357	6.8
103.03912	10.9
105.07034	84.2
107.04916	14.8
107.08586	56.6
109.02863	8.0
109.06525	13.1
109.10144	22.9
111.04443	11.8
115.03886	6.7
115.05421	6.7
117.07014	34.2
119.08582	69.2
121.06499	9.9
121.10145	41.1
123.04445	5.5
125.09620	8.1
127.03899	18.0
128.06210	7.2
129.05495	7.8
129.07011	33.2
131.08566	52.2
133.06497	6.8
133.10147	52.1
135.08034	10.3
135.11729	31.8
137.05963	12.4
137.09595	6.2
138.10228	5.2
141.06969	13.4
142.07782	8.9
143.08563	31.6
145.06491	12.3
145.10127	52.9
147.08081	6.9
147.11696	30.9
149.09650	7.6
149.13214	16.4
151.11217	6.6
155.08560	18.1
157.10126	32.7
159.08058	12.3
159.11652	30.3
161.09677	6.3
161.13260	17.1
169.10172	18.7
171.10196	5.3
171.11711	18.4
173.13274	18.6
175.11240	8.3
175.14754	6.2
181.10130	8.4
183.11743	16.3
184.07373	13.3
185.13283	18.6
187.11192	7.8
187.14691	8.2
189.12727	6.7
195.11659	9.0
197.13300	9.6
199.11133	7.0
199.14844	9.2
207.11713	8.7
211.14841	6.8
211.87975	4.5
213.12816	8.6
217.15854	5.6
241.19484	19.1
252.76753	5.6
257.19055	10.1
259.20615	22.7
275.20044	7.8
277.21649	7.2
283.20486	6.5
285.22321	9.1
301.21548	11.1
313.21436	14.2
315.23080	6.3
325.21640	6.7
331.22769	7.5
333.20728	9.2
333.24255	49.9
339.23425	11.1
345.24680	7.6
349.21060	10.4
361.23611	6.5
363.25150	8.1
367.22427	17.8
375.25226	16.5
385.23615	14.0
387.25342	7.3
399.25339	6.6
403.24774	14.3
417.26273	9.9
429.26404	8.9
433.26910	10.3
441.26358	48.8
459.27670	34.4
459.33334	9.5
477.28568	51.6
477.34756	7.8
495.29788	100.0
495.36328	9.1
496.30414	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	495.1839
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.05524	0.8
56.96594	0.7
58.49743	0.5
67.05511	1.0
68.41627	0.5
69.03438	1.4
69.07072	1.3
69.55946	2.6
69.56375	2.1
70.06593	0.7
71.04987	0.9
81.03431	0.8
81.07095	0.9
83.04978	0.8
85.02927	2.0
86.09726	0.6
91.05487	2.5
93.07059	1.1
95.04969	0.6
95.08598	1.2
97.02918	1.0
98.20811	1.0
101.56013	0.5
105.06413	0.7
105.06986	2.9
107.08614	1.9
109.02898	1.0
109.06595	0.7
109.10186	1.6
110.06007	0.6
116.98644	0.5
119.01939	0.8
119.08601	2.4
127.03944	1.1
127.66381	0.6
133.10153	1.5
134.08437	0.5
137.05981	1.0
137.09654	1.3
143.01965	0.6
145.10158	0.7
147.08084	0.6
150.33435	0.5
153.01782	0.6
161.02994	0.6
161.13272	0.8
177.09109	0.7
180.06528	0.7
185.04292	0.7
203.05341	1.3
211.16777	0.6
237.09897	0.8
245.06319	3.9
247.13171	1.4
287.03812	0.6
289.05313	12.1
333.11057	0.5
339.14539	1.0
381.15323	2.6
391.16898	0.6
409.18536	3.0
421.44495	0.6
425.14545	2.0
433.18353	1.5
448.45508	0.6
451.19449	10.2
477.17572	10.9
477.24466	0.7
495.18567	100.0
496.19058	1.9
521.79028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1838
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.05507	1.3
67.05505	2.7
69.03425	1.7
69.07079	0.9
69.50137	4.2
70.06599	1.1
71.05006	0.8
73.02921	0.5
79.05502	1.2
81.03413	1.0
81.07040	1.5
83.04980	1.4
85.02901	2.6
86.09721	3.4
91.05475	2.3
93.07056	3.0
95.04982	1.3
95.08615	1.7
97.02888	1.5
98.97585	0.7
103.05467	1.1
105.07045	1.9
107.04974	0.9
107.08599	1.6
109.02869	1.5
109.06522	0.9
109.10162	4.2
110.07157	2.9
111.04446	0.6
117.07005	0.7
119.08588	2.3
120.08112	1.0
121.06528	0.6
121.10165	0.5
122.03652	0.7
123.08099	0.8
127.03926	1.9
128.98497	0.5
131.04912	1.7
131.08551	0.9
132.05284	0.5
133.10104	1.3
136.07603	0.7
137.05980	10.6
137.09637	1.7
138.06331	3.1
143.08623	0.7
145.03920	0.6
145.04984	0.9
145.10135	0.6
151.07635	0.6
153.01823	0.7
159.11682	0.9
161.03011	0.6
163.07521	3.8
164.07933	1.6
169.01393	0.7
175.07607	1.5
176.07961	1.0
203.05298	1.8
223.96771	0.6
227.05309	0.7
229.03183	0.6
229.12054	1.2
245.06404	5.5
247.13106	2.3
271.04364	0.9
279.11035	0.6
289.05328	12.6
333.06085	2.6
391.17053	1.6
409.18762	3.5
425.14780	0.7
427.16284	1.2
433.18433	2.6
451.19528	11.5
477.17426	11.9
477.23770	1.1
495.18393	100.0
496.18753	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3243
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05512	2.8
57.03432	0.7
57.07080	0.9
58.06616	1.6
60.08168	16.6
64.57971	0.8
67.05502	2.4
69.07070	2.5
71.07384	5.1
71.57267	0.8
79.05485	1.7
81.03449	0.8
81.07066	2.8
83.08614	3.6
86.09710	47.4
88.07632	0.8
93.07047	1.5
95.08607	1.7
98.56805	0.8
98.98479	2.9
104.10750	100.0
107.08598	1.0
121.10165	1.2
125.00012	24.3
141.79837	0.8
149.02382	1.6
184.07350	91.7
185.07594	0.9
186.83484	0.8
193.05292	0.9
210.47411	0.8
476.31357	10.4
494.32486	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.05044	0.5
57.03440	0.2
57.07077	0.2
58.06631	0.5
59.07403	0.3
60.08165	6.4
62.51171	0.1
64.30060	0.2
65.70116	0.2
65.71713	0.2
67.05507	0.4
69.07054	0.8
69.89638	1.0
70.06596	0.2
71.07372	2.9
77.07796	0.2
79.05486	0.3
81.07059	0.6
83.08630	0.2
86.09708	29.2
88.07607	0.2
89.05685	0.2
91.05486	0.2
91.97369	0.2
92.20382	0.2
93.07069	0.5
95.08630	0.2
97.10174	0.2
98.21497	0.3
98.98467	2.5
104.10748	3.1
107.08611	0.3
125.00009	19.5
135.33345	0.2
144.79648	0.2
145.10159	0.2
149.02379	0.4
151.60614	0.2
166.02496	0.2
184.07346	100.0
185.07726	0.4
193.04991	0.6
237.07555	0.4
240.19554	0.2
258.11044	0.3
284.29492	0.5
476.31537	1.4
494.32468	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	494.3244
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05506	2.3
55.94118	0.7
56.05032	1.2
57.07059	0.9
58.06593	1.5
60.08165	14.3
64.00649	0.8
65.85629	0.7
67.41327	0.7
69.07057	2.3
70.77491	2.6
70.77850	0.7
71.07361	3.8
73.52911	0.8
81.07047	0.9
83.08604	1.4
86.09704	49.6
87.87272	0.7
97.10175	1.6
98.98482	3.6
104.10744	100.0
122.72704	0.9
125.00003	28.6
184.07341	93.7
207.47244	0.8
258.10983	0.9
310.87216	0.7
311.25748	1.7
417.24014	1.4
476.31284	12.0
494.32449	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01862	5.6
55.05510	6.2
57.03432	4.6
57.37169	2.1
60.04509	2.1
61.02931	3.8
63.10840	1.8
67.05490	8.5
69.03436	22.0
69.07063	8.3
71.04982	7.0
71.48143	2.3
71.48487	2.9
73.02930	3.4
73.59923	2.0
79.05507	5.5
81.03418	11.5
81.07069	15.6
83.04973	5.9
83.08617	4.7
85.02911	47.2
86.09755	2.7
87.00838	22.8
91.05483	4.9
93.07043	16.8
95.04986	4.9
95.08612	26.3
97.02895	18.8
97.06517	2.2
99.04450	7.1
99.08102	14.9
105.01871	46.5
105.07037	12.1
107.08607	24.3
109.02908	13.8
109.06526	4.4
109.09446	4.3
109.10163	41.8
109.10915	2.6
110.06069	4.2
111.08070	16.0
117.03390	2.8
117.07043	1.9
119.08578	42.2
120.08112	4.9
121.10154	20.3
123.08085	12.6
123.11691	6.1
125.09652	3.2
127.03920	40.3
127.07566	2.1
131.08527	2.8
133.10141	50.6
135.11702	44.4
137.05984	3.3
137.09633	33.1
137.13232	4.3
138.05507	56.4
138.10391	6.8
139.11171	3.8
145.02834	3.7
145.04973	14.3
147.07683	2.6
147.11708	6.7
149.13298	9.6
151.11295	2.7
151.14787	3.5
153.01814	6.7
156.06572	19.4
159.02881	3.6
163.11234	2.1
165.12759	8.1
165.16425	3.8
173.13132	2.9
175.14844	64.9
176.15204	2.2
177.05447	7.1
183.59920	2.3
191.14320	2.4
193.15895	100.0
209.15437	3.3
210.15596	2.3
211.16942	38.2
211.18816	3.8
213.03983	3.5
231.04967	17.3
249.05984	10.7
286.85956	1.9
297.03586	2.4
302.10510	2.2
303.04828	2.6
334.06363	3.5
334.56461	3.9
351.05350	2.3
423.20233	4.4
441.20917	2.5
449.08514	6.8
495.18768	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	494.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96458	2.0
57.03429	3.8
59.95439	2.5
60.04527	2.7
61.02923	3.9
69.03426	20.7
70.06585	3.8
71.04990	4.8
71.58944	2.4
72.08128	2.0
76.02226	3.3
81.03423	11.3
81.07064	2.9
83.04940	3.3
83.06083	3.0
84.04503	3.2
85.02422	3.6
85.02901	45.1
89.07150	5.1
91.05476	32.4
93.07039	3.0
95.04971	7.2
97.02898	17.8
99.04459	12.1
103.03940	19.1
103.05452	3.3
105.07062	4.8
107.04961	5.6
109.02869	8.3
109.06498	3.2
109.10611	2.4
114.10430	2.7
115.05440	2.6
117.07012	7.3
119.04951	23.3
119.08546	3.5
120.08178	2.7
121.06499	2.9
122.02759	7.2
122.03597	5.4
123.04469	6.1
123.08143	3.2
127.03918	18.8
128.06181	2.4
131.04965	7.0
133.02870	5.2
135.04436	5.7
136.07535	2.6
137.05980	100.0
145.04961	16.8
145.06447	5.5
147.04411	6.4
149.05905	2.9
151.03900	5.8
151.07539	80.7
159.11694	2.5
161.05966	4.3
163.03871	3.7
163.06166	4.5
163.07550	13.0
167.08588	3.7
171.06448	2.4
175.07544	9.1
177.05486	5.9
177.09103	2.8
179.03401	3.6
179.07039	3.5
187.07520	7.7
189.09128	6.6
191.06982	5.1
191.14317	3.5
195.08054	6.2
203.10648	9.8
205.06851	3.4
205.08553	13.3
209.15417	4.9
213.05556	4.1
213.09306	2.8
214.18074	3.9
215.07117	6.7
222.40636	2.5
223.07521	5.5
225.09099	3.7
227.10719	7.5
230.17531	2.4
241.08612	4.6
243.02953	2.4
243.06528	10.8
244.09727	10.7
247.07828	3.2
251.07108	3.5
253.08548	8.1
255.10117	6.2
260.09186	8.0
267.96744	2.6
269.08078	12.5
271.09546	4.1
279.08551	3.4
285.11288	6.6
286.10568	5.9
287.12756	13.8
295.39331	2.5
297.07565	2.9
305.11615	3.0
311.12799	9.9
315.08588	39.1
327.15851	17.1
329.13861	39.2
332.11295	61.7
337.14267	9.3
355.15363	22.5
379.14902	2.8
401.05600	2.7
462.91852	2.5
494.16370	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19181	0.5
67.05507	0.9
69.03436	1.0
69.07082	0.5
70.84881	0.8
70.85217	1.1
79.05493	1.5
81.03413	1.0
81.07047	1.2
85.02904	2.0
91.05461	1.1
93.07041	0.7
94.04183	1.3
95.04973	0.9
95.08595	0.7
97.02914	1.0
103.05465	7.6
107.04958	1.5
107.08616	1.1
109.02888	0.7
109.06540	0.9
109.10191	0.8
115.05446	1.1
117.07016	1.8
119.04901	1.0
119.08573	0.9
121.06499	0.7
121.10197	0.6
122.03651	5.4
125.05976	0.7
127.03936	0.9
131.04930	21.3
133.06493	0.6
133.10123	1.1
135.04396	0.5
136.05156	0.6
137.05978	100.0
137.71310	0.5
138.06305	1.0
140.15996	0.5
143.04942	1.4
145.06496	4.1
147.04407	1.7
149.00542	2.6
149.06000	1.0
151.07520	1.3
153.07112	0.5
160.05219	1.8
161.05978	1.0
163.07547	61.1
167.07043	1.0
175.06021	1.1
175.07547	21.2
175.14897	0.8
177.05457	2.0
177.09085	6.2
178.05080	0.7
178.98795	0.5
179.07034	2.2
181.03232	0.8
181.06488	0.6
187.07570	2.4
189.09117	1.1
193.15910	1.0
203.10699	0.9
205.08533	3.5
211.16884	0.6
219.10132	1.0
223.09628	3.2
231.10220	1.5
270.08038	0.9
305.11639	0.7
337.14307	5.3
355.15314	3.1
476.17145	0.6
494.32022	1.9
495.18530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31221	1.4
60.04528	3.0
65.03947	1.5
65.80368	1.4
67.05507	1.6
69.03407	2.4
70.06586	7.5
71.04988	1.6
71.57520	2.7
79.05479	3.2
81.07027	2.2
83.04994	2.6
84.08137	3.6
85.02919	8.2
86.09711	2.8
91.05477	12.7
94.04168	2.9
95.04992	4.3
97.02887	2.5
100.11224	1.9
103.05468	5.3
105.06997	3.5
106.96085	1.4
109.02837	2.2
109.06515	4.2
111.04446	3.6
116.98622	1.4
117.03397	1.7
117.07005	4.8
119.04954	13.2
121.06444	2.0
122.02785	2.8
122.03661	4.9
123.07979	1.8
124.07473	1.4
125.05984	3.9
127.03940	3.6
129.10242	4.4
131.04951	12.6
133.06522	1.8
135.04379	1.9
135.08067	1.8
137.05984	100.0
145.02861	4.4
145.06473	3.6
147.04405	8.4
147.08051	3.1
149.06024	2.9
151.03972	2.4
151.07536	38.0
152.07082	1.8
153.04300	2.2
153.05475	25.6
161.05975	6.7
163.03880	4.6
163.07541	32.7
175.07558	9.9
177.05524	10.3
177.09097	5.0
179.07037	13.6
181.06496	2.3
181.08545	2.8
186.56137	1.7
187.07460	2.0
189.09094	5.4
191.08679	1.8
193.08578	5.3
195.08034	3.2
201.09088	2.2
203.10655	3.6
205.08633	4.7
219.08127	1.9
223.07607	1.9
227.10655	4.8
227.17534	3.3
231.74005	1.6
233.11702	3.0
250.14459	2.6
251.10722	2.2
253.08504	1.9
253.12314	1.8
255.10127	3.0
263.10638	1.9
270.08365	1.5
277.12216	2.5
280.21295	1.8
285.11197	3.4
285.14639	1.9
287.12787	7.1
291.30612	1.6
295.13284	2.2
305.11758	3.7
311.12793	4.1
311.27237	1.5
323.12732	4.5
327.15793	4.3
329.13794	12.0
337.14529	8.5
341.13663	4.0
355.15344	19.3
373.16434	5.6
426.57730	1.8
458.14053	1.5
458.59650	1.7
494.76740	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	494.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	6.4
66.89152	3.2
69.03429	14.9
69.75272	11.4
69.75690	12.4
81.03416	10.5
85.02907	43.4
91.05486	9.2
97.02917	20.2
98.20821	5.0
109.02919	6.1
123.04453	5.0
127.03914	12.7
133.34671	3.8
135.06801	8.3
137.05984	25.3
145.04976	7.2
151.03886	4.2
166.05147	3.6
171.40794	3.5
182.07085	3.8
187.07573	10.2
197.05984	5.6
213.05540	19.3
215.07024	23.7
225.05501	8.5
227.07054	8.9
243.06525	100.0
244.09731	53.3
260.09204	66.4
269.08154	10.4
271.09882	5.0
286.10736	38.8
288.12595	3.7
314.41174	4.2
315.08823	25.3
332.11240	64.7
406.02692	4.8
494.16574	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1665
Annotation	CHEBI:69649
Peak:m/z	Relative Intensity
53.03946	3.3
55.01865	7.0
56.96564	2.8
57.03434	4.0
59.27037	2.8
60.18174	2.9
61.02925	5.8
62.21897	3.1
69.03429	17.7
71.58682	3.8
71.59115	3.5
79.05502	5.6
81.03407	13.6
81.85108	3.2
84.08177	3.6
85.02902	43.9
87.04480	3.2
90.70788	2.8
91.03947	3.1
91.05492	9.1
95.04985	4.3
97.02904	24.0
98.70284	3.0
99.08228	3.0
107.04954	10.5
109.02901	8.8
109.06517	2.9
111.04480	3.4
117.07036	3.7
119.04933	7.7
123.04432	6.4
127.03903	12.1
131.04961	10.1
134.06038	8.0
135.04381	7.3
135.06789	21.2
135.07802	2.7
137.05978	47.3
137.06929	4.4
141.06996	4.0
145.04922	9.0
145.06499	4.3
147.04440	8.4
150.05499	4.2
151.03900	6.3
151.07556	6.5
152.07121	4.7
153.05563	5.9
163.03998	5.9
163.07538	7.8
169.06412	3.5
173.05925	5.2
179.03438	6.0
179.07060	3.9
185.05994	5.6
187.07610	9.7
197.05922	7.3
213.05472	40.8
215.07024	41.9
225.05540	7.5
227.07071	13.3
241.08636	3.8
242.08174	12.3
243.06543	89.8
244.07179	5.3
244.09711	80.4
260.09210	43.6
269.08173	11.9
271.09674	31.4
286.10733	63.5
288.12140	14.5
297.07733	4.4
314.10397	3.9
315.08591	30.6
332.11255	100.0
355.15250	4.4
401.02136	3.1
458.14301	10.2
459.72546	3.3
476.15457	4.0
494.16531	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05503	1.5
56.05035	3.5
67.05495	1.7
69.03425	1.4
69.07062	1.5
70.01853	0.5
70.06593	0.7
71.11531	1.0
79.05523	0.8
81.03429	1.3
81.07053	2.2
82.02939	1.2
83.08627	0.6
83.42477	0.5
84.04512	8.5
85.02888	2.2
85.06545	0.7
86.02426	2.2
86.09715	0.9
87.00813	0.8
88.03990	7.5
91.05486	1.3
93.07042	1.5
95.04936	1.0
95.08600	2.0
97.02889	1.1
97.06505	1.3
99.04448	1.2
100.03980	3.6
105.07014	1.1
107.04970	0.7
107.08604	1.4
109.02871	1.0
109.06516	0.9
109.10161	2.2
110.02415	2.6
110.07178	0.7
117.47244	0.5
119.08575	1.0
121.06508	0.5
121.10164	1.0
122.06071	0.7
123.08076	0.5
123.11750	0.8
125.09683	0.9
127.03912	2.6
128.03453	6.5
129.74278	0.6
130.05006	7.0
133.10132	1.9
135.11694	1.9
137.05971	1.2
137.09586	0.8
146.04491	1.7
147.04449	0.9
156.02937	3.3
162.02142	0.7
169.51888	0.7
174.03979	13.8
175.14847	1.8
177.05598	1.0
193.15855	2.6
203.01723	0.6
203.08598	0.8
211.16930	3.7
231.08139	2.5
232.08952	0.7
242.07394	2.7
243.08052	1.2
257.04150	0.7
258.06836	1.6
259.07562	10.8
260.08231	1.7
263.05222	1.3
270.06778	4.0
271.07556	2.7
274.04398	1.4
275.05222	3.5
287.07095	1.2
289.08627	3.7
291.04712	5.0
293.06104	0.7
301.08975	0.7
303.04770	7.3
319.04300	1.5
321.05811	100.0
322.06134	2.9
390.07864	0.7
408.08942	5.4
450.09933	1.6
476.08124	1.9
494.09027	3.6
494.28101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92368	0.4
53.36523	0.4
55.01872	0.9
55.05496	1.6
56.05037	4.8
57.03410	0.5
60.04508	0.5
62.83080	0.4
67.05506	3.3
69.03420	0.7
69.07047	1.5
71.04981	1.0
71.59016	0.4
71.59393	0.5
73.70298	0.5
79.05506	2.6
81.03418	5.5
81.07045	2.8
82.02941	0.8
82.03749	0.5
82.07351	0.6
83.04992	1.3
83.08607	1.0
84.04505	6.5
85.02891	1.8
85.06532	0.5
86.02419	1.7
86.09692	0.8
87.00815	1.0
88.03992	5.9
91.05477	2.8
93.07036	2.2
94.06564	0.5
95.04945	2.4
95.08601	1.7
96.05318	0.7
97.02896	0.4
97.06523	1.3
100.03984	2.4
105.07021	1.7
106.07333	0.5
107.04937	1.7
107.08585	1.6
109.02847	0.7
109.10187	1.0
110.02402	3.1
111.04435	1.1
111.08080	0.7
112.04699	0.4
113.16191	0.4
115.05481	0.4
117.07027	1.0
118.07298	0.5
119.04909	0.5
119.08578	1.3
120.08914	0.6
121.02887	0.4
121.06485	0.7
121.10125	1.4
122.06041	1.0
122.10461	0.7
123.08094	0.5
123.11679	0.6
125.09622	0.6
128.03441	5.8
129.06989	0.8
130.04997	6.6
131.08589	0.8
133.06496	0.5
133.10130	1.1
135.11644	0.9
137.05986	0.9
143.08569	0.5
145.10078	0.9
146.04530	2.0
147.04420	0.5
147.11661	0.7
149.09630	0.9
150.10014	0.4
153.12738	0.8
156.02936	2.7
157.10144	0.6
159.07985	0.5
161.09630	0.4
162.02246	0.9
163.11169	1.2
164.11499	0.8
164.75330	0.5
165.09119	1.4
173.09610	0.6
174.03987	11.6
175.11163	0.6
177.07779	0.5
182.12569	0.4
184.07445	0.4
189.09081	0.7
191.10744	1.0
192.11195	0.4
193.12239	1.5
202.07707	0.7
203.08591	0.8
204.10156	0.5
209.11717	0.6
227.12790	1.3
228.13039	1.1
231.08104	2.6
233.09653	1.1
233.11766	0.6
242.07233	2.6
243.08022	1.1
246.14796	2.1
257.04169	0.8
258.06815	1.3
259.07559	9.9
261.08887	0.5
263.05252	1.1
267.16031	0.9
270.06757	4.7
271.07581	2.0
274.04565	0.9
275.05164	4.1
283.15372	0.9
284.15958	0.8
287.06973	1.9
289.08630	2.7
291.04770	5.2
293.06195	1.1
301.08472	0.5
302.17538	3.9
303.04779	6.3
319.04254	1.1
320.18607	0.9
321.05792	100.0
322.06287	1.9
346.20337	0.9
364.20911	0.7
371.12613	0.7
384.22446	1.3
390.07880	1.0
402.23505	1.0
408.08939	5.8
431.25958	0.6
450.10095	1.5
458.26010	0.6
476.07983	3.0
476.26935	2.7
493.27966	0.9
494.09018	3.8
494.28058	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	493.2804
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.49316	3.9
53.03953	6.8
55.01867	12.4
55.05507	26.4
57.03429	14.6
57.07065	3.5
57.96781	3.3
65.03941	3.2
67.05508	48.5
69.03412	10.5
69.07066	15.7
69.93166	14.7
69.93587	7.0
71.04990	7.6
73.99533	3.6
79.05128	4.0
79.05505	50.4
81.03416	70.1
81.07059	50.1
83.04988	16.4
83.08622	20.6
85.02895	9.8
85.06584	4.6
91.05482	42.7
93.07057	39.9
95.04973	34.2
95.08607	32.6
97.02888	10.3
97.06509	11.4
97.10181	12.6
99.04448	5.6
105.07035	25.8
106.09490	3.7
107.04951	25.4
107.08596	31.2
109.02914	6.9
109.06516	11.2
109.10157	15.7
109.61085	3.7
110.15914	3.4
111.04448	14.9
111.08064	7.5
115.99901	3.5
117.07007	11.0
119.04935	5.6
119.08578	23.7
121.02868	3.8
121.06489	8.6
121.10184	19.9
122.06017	10.8
123.04438	7.4
123.08054	8.7
123.11726	7.0
125.09643	11.0
129.07011	14.1
131.08565	20.6
133.06480	3.7
133.10126	12.6
134.10539	3.4
135.04433	3.6
135.08095	7.8
135.11685	28.6
137.06023	8.5
137.09628	10.0
138.05180	2.9
141.07042	4.1
143.08549	5.6
145.10118	21.3
147.04422	5.9
147.08070	10.5
147.11684	14.2
148.07089	4.0
149.09647	12.9
153.09081	3.8
153.12798	4.5
155.08563	5.9
157.10159	10.2
159.11690	5.5
161.09668	4.1
163.07463	4.2
163.11214	30.2
165.09129	90.5
169.10196	3.5
173.09641	7.2
175.11186	9.3
176.07018	3.5
176.10776	4.5
177.07739	4.4
181.12143	8.2
183.11560	3.8
191.10655	11.7
193.12245	25.6
201.51053	3.5
205.12195	7.3
209.11723	13.6
211.13303	10.6
219.56654	3.1
227.12804	46.6
235.13185	4.4
247.13315	5.9
249.15030	4.8
255.63841	3.6
267.15906	43.4
283.15430	20.8
321.05878	7.2
337.21497	5.0
365.21307	5.9
383.22235	12.3
401.23215	14.0
418.71756	3.4
419.23929	5.7
430.16309	4.1
431.26254	42.8
449.27484	4.3
457.26071	7.1
475.26941	58.8
493.21378	5.3
493.28061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2723
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
53.00224	1.9
53.03944	3.4
55.01865	3.4
55.05518	11.6
57.03430	7.0
62.06076	5.0
66.64532	1.9
66.74889	2.0
67.05512	28.5
69.07065	12.8
71.08627	14.4
71.58485	1.8
71.58899	2.9
79.05494	24.8
81.03408	5.2
81.07061	29.2
83.04966	4.2
83.08602	7.5
86.02225	2.0
91.05483	23.7
93.07047	30.0
93.61612	2.2
95.04960	8.3
95.08604	23.0
97.02853	2.4
97.06541	5.4
98.86214	2.1
98.98447	3.8
99.08086	9.7
105.07040	15.6
107.04970	4.4
107.08601	17.3
109.06507	2.6
109.10137	9.1
117.07023	3.3
119.08587	13.7
121.10116	12.1
122.23833	1.9
123.08088	3.2
123.11703	3.9
125.09670	2.9
126.13153	1.9
129.07028	4.1
129.66656	2.1
131.08542	4.2
133.10129	11.5
135.08089	2.4
135.11708	11.4
143.08627	2.3
145.10104	5.0
147.11664	5.2
149.09587	2.7
149.13303	4.7
151.11191	7.5
152.47197	2.0
157.10132	2.5
159.11673	4.7
161.13280	5.7
163.11218	3.6
179.14346	25.1
186.87660	1.9
210.62668	2.0
241.19595	1.9
259.20630	7.5
277.21628	23.1
279.93918	2.1
291.19510	2.4
295.22809	2.5
320.25763	8.7
333.24338	12.0
351.25305	100.0
431.21869	4.5
474.29413	3.6
492.25851	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44035	0.7
53.46204	0.5
55.01881	1.2
55.05500	1.4
56.05048	0.6
56.31485	0.6
56.96552	1.0
57.03434	0.9
59.04997	0.6
61.01153	0.5
65.10506	0.5
67.05498	2.6
69.03426	1.8
69.07053	2.6
71.04990	1.2
71.59249	0.8
72.08154	0.7
79.05492	2.1
81.03396	2.0
81.07053	3.0
83.04981	1.3
83.08604	0.8
84.04515	0.7
85.02903	3.7
87.00816	0.5
87.78472	0.6
91.05472	2.4
93.07053	3.1
95.04965	1.8
95.08614	1.9
97.02881	2.1
97.06520	1.8
97.10139	1.2
98.97586	1.0
99.04488	0.8
105.07012	1.9
107.04947	1.1
107.08589	2.6
109.02894	1.1
109.10148	2.7
117.07028	0.8
119.04963	0.9
119.08589	1.5
120.08131	0.7
121.02955	0.6
121.06489	1.1
121.10106	0.8
122.06081	1.2
123.04402	0.7
123.11665	0.6
125.09695	0.9
127.03897	2.1
129.07011	0.8
130.04166	0.9
131.04924	0.9
131.08589	1.0
133.06552	0.6
133.10139	1.0
135.08034	0.9
135.11676	0.7
137.05984	2.5
143.08553	0.6
145.04988	0.7
145.10144	0.8
146.15974	0.6
147.04425	2.1
148.05193	2.1
149.05939	1.3
153.00645	0.6
155.08493	0.7
157.06435	0.8
157.10213	0.6
159.08116	0.6
161.05966	4.1
162.05489	2.7
163.07559	0.8
163.14838	2.2
164.07002	0.7
165.09134	2.0
173.06004	3.7
174.05502	1.1
175.06294	100.0
176.07039	3.3
177.05411	0.6
187.07483	0.9
188.07089	2.5
189.07784	1.3
190.05052	0.9
190.08600	1.1
191.14302	1.0
193.12328	0.7
200.07077	0.8
202.08737	1.1
203.10796	1.0
204.10187	0.6
209.09705	0.6
209.15442	3.5
214.41710	0.6
215.10957	0.6
226.12457	0.6
244.13347	63.5
245.13753	0.7
246.38142	0.7
253.19473	1.2
260.10013	0.7
284.20645	0.6
300.12424	0.8
308.16931	0.7
318.16776	1.0
325.13266	1.0
389.68918	0.7
414.26239	0.8
416.24203	1.8
458.17609	0.7
460.26984	21.2
462.21912	1.0
462.71930	0.8
474.24982	1.8
492.19742	0.8
492.30109	10.5
493.20352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33191	3.0
53.03939	2.9
55.05509	18.1
57.03439	23.4
57.43176	2.6
62.06079	6.4
64.42506	2.4
67.05185	3.4
67.05508	47.3
69.07072	19.3
70.92847	6.3
71.04998	4.2
72.08191	3.3
79.05494	42.9
80.23477	2.6
81.03414	3.3
81.07057	54.4
82.14413	2.6
82.64265	2.8
83.04969	4.9
83.08616	6.7
85.06531	3.1
86.09697	4.1
91.05482	35.2
93.07048	42.7
93.89677	2.4
95.04955	6.7
95.08605	42.4
97.06536	4.3
97.10143	7.9
97.10717	2.6
98.98476	5.1
105.07027	28.6
107.04964	4.8
107.08597	28.7
109.06507	4.2
109.10153	10.2
111.08052	3.7
117.07018	11.6
119.04948	2.5
119.08570	21.1
121.10156	22.9
125.09577	3.1
129.07024	4.6
131.08603	13.1
133.10135	19.9
135.11676	10.6
142.02620	3.1
143.08522	3.3
145.10103	15.1
147.11703	14.0
149.13264	5.8
152.29674	2.8
159.11716	9.0
161.13266	6.4
163.11226	3.3
167.11894	5.6
171.11671	3.5
173.13321	5.3
175.14796	5.6
176.07176	3.4
176.10617	3.3
177.12758	2.8
184.07393	2.8
187.14830	8.8
189.40363	2.5
204.10162	3.5
205.10832	3.4
205.15982	5.8
208.98326	2.8
241.19568	8.2
251.27786	2.9
259.20633	19.8
272.39581	3.0
277.21631	13.3
293.15335	2.5
293.21213	14.2
308.19730	3.7
320.25900	10.0
333.24249	76.3
351.25308	100.0
412.24512	4.4
430.25909	17.4
431.22192	4.2
444.38040	2.9
474.27853	3.8
492.29428	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01871	5.6
55.05519	11.5
57.03435	6.4
61.02921	4.2
63.28854	1.7
63.87112	1.7
67.05505	9.7
69.03435	35.6
69.07058	16.4
69.29237	15.9
69.29645	3.3
70.06593	4.8
71.04986	12.7
72.08154	2.6
73.02903	5.8
79.05498	10.5
80.05031	1.8
81.03420	23.4
81.07072	17.1
83.04978	8.4
83.08613	8.0
83.63203	2.0
84.04469	2.2
84.08154	2.7
85.02911	72.1
85.03434	3.8
85.06558	5.6
86.06066	2.9
86.09696	3.9
87.00832	18.5
91.05484	13.0
93.07047	19.2
95.04967	14.6
95.08623	15.7
97.02904	33.7
97.06538	16.8
97.10139	2.4
98.21532	4.0
99.04469	20.1
99.08126	2.0
103.03953	21.6
103.05492	2.1
105.01871	31.2
105.07031	29.4
107.04975	5.1
107.08603	36.0
109.02893	21.0
109.06537	18.8
109.10143	10.8
111.04412	2.3
111.08090	6.6
115.07574	3.7
117.07015	5.5
119.08590	27.4
120.08108	2.6
121.06509	5.5
121.10149	33.6
123.08057	8.0
123.11728	9.3
125.06051	2.1
125.09676	4.8
127.03929	64.0
131.04971	3.2
131.08577	29.5
133.10141	38.3
135.07106	3.0
135.08069	36.3
135.11676	7.0
137.05988	6.2
137.09680	2.5
139.11211	3.9
143.08583	4.1
145.04961	33.2
145.10143	12.0
147.08002	2.3
147.11691	38.8
149.09610	7.9
149.13210	10.1
151.03915	11.3
151.11191	12.9
152.04247	4.1
153.09178	9.0
158.10907	5.6
159.02921	7.5
161.13261	8.5
162.05511	2.4
163.06047	15.3
163.11107	2.6
163.14816	15.7
165.12755	8.9
167.14301	5.5
171.11671	4.2
173.13271	59.3
175.14896	7.2
176.07114	3.1
189.12743	2.6
191.14317	98.6
198.11322	3.3
209.15376	100.0
210.15840	2.5
227.16422	54.6
231.04942	11.0
249.06071	6.9
249.09140	5.5
267.10257	5.9
267.48569	1.8
271.08176	2.2
274.08417	2.1
275.09119	2.1
277.44583	2.3
289.09152	2.2
295.09769	3.1
307.10312	4.4
318.13416	3.4
364.25433	2.6
378.17575	3.9
388.98306	2.0
404.16629	3.5
439.19403	3.7
474.24072	2.4
492.17624	5.7
492.30914	13.7
493.16705	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09573	0.5
52.14877	0.4
53.03941	1.2
53.04870	0.4
55.01868	1.2
55.05267	0.6
55.05514	9.1
57.03429	0.5
57.07061	0.4
59.04990	0.6
61.02921	0.6
64.64571	0.4
65.91843	0.4
67.05507	2.3
69.03072	0.5
69.03432	6.0
69.07063	2.8
69.85724	2.4
71.05004	2.5
73.02898	0.7
75.11866	0.4
79.05478	1.3
81.03419	4.6
81.07069	3.4
83.04980	7.6
83.08625	7.6
85.02904	10.4
85.06517	1.3
87.00442	0.4
87.00842	3.9
91.05470	1.3
92.88474	0.4
93.07066	3.3
95.04971	39.3
95.08610	1.9
97.02908	4.1
97.06533	2.0
97.10162	0.9
99.04459	11.7
105.01854	3.8
105.07049	2.8
107.04910	0.4
107.08599	6.0
109.02898	4.1
109.06521	2.2
109.10156	7.6
111.08090	2.1
119.08582	1.3
121.06490	0.7
121.10145	3.3
123.08073	1.1
123.11700	2.1
125.09608	1.9
127.03930	6.9
129.01811	0.4
129.07210	0.4
131.08586	1.1
133.10133	7.4
133.75844	0.4
135.08055	1.9
135.11703	1.4
137.05978	1.0
137.09622	0.6
139.11168	0.8
145.04973	2.9
145.10150	0.9
147.02878	0.4
147.04414	0.4
147.11691	4.2
149.09641	0.8
149.13252	3.7
151.11186	12.4
153.09106	14.4
158.10954	0.6
159.02901	2.7
161.05949	0.5
163.14890	0.5
167.14316	14.8
173.13278	4.1
175.14880	1.0
179.14413	0.5
179.73933	0.4
183.13290	0.5
191.14319	8.6
193.15950	0.4
209.15373	100.0
210.15723	2.0
218.24556	0.4
227.16428	3.5
231.05043	1.4
234.66510	0.4
249.06094	0.7
421.18652	0.8
439.19983	0.5
457.20200	1.0
475.10086	0.7
493.10513	0.7
493.16522	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
54.04216	1.9
55.01868	4.9
55.05506	9.3
57.03433	6.8
57.07068	3.7
59.05005	1.8
61.02909	6.3
65.03936	2.1
67.05491	8.1
69.03428	15.5
69.07069	14.1
69.22350	2.4
69.85947	10.1
70.06569	5.4
71.04984	5.3
72.08156	2.3
73.02894	3.5
79.05487	9.2
80.29123	1.7
81.03422	14.1
81.07053	12.8
83.01340	2.0
83.04967	7.7
83.08598	4.7
85.02911	33.3
85.06533	5.3
86.06053	2.0
87.00822	11.2
87.04463	2.2
91.03963	2.3
91.05495	13.5
93.07056	17.2
95.04965	4.6
95.08607	19.7
97.02908	13.0
97.06525	7.3
97.10175	2.9
98.21450	2.3
99.04452	6.2
99.08103	10.0
105.01875	13.1
105.07039	17.8
107.04958	4.5
107.08598	35.7
109.02894	14.2
109.06512	8.2
109.10160	15.9
111.08051	2.7
117.06976	3.3
119.04938	2.8
119.08585	13.6
121.06544	5.0
121.09318	2.7
121.10146	35.5
123.04459	1.9
123.08067	6.5
123.11722	5.1
125.09654	4.7
126.91963	2.0
127.03922	21.5
129.07057	2.1
131.08575	14.7
133.10129	31.2
135.08041	14.3
135.11732	16.6
136.07509	1.9
137.06006	5.0
137.09639	9.0
137.13254	2.7
139.11185	3.0
143.08459	1.7
145.04907	8.9
145.10130	6.2
147.04388	7.1
147.11696	15.2
149.09622	73.4
149.13254	11.5
151.11188	27.2
153.09149	3.9
155.97667	1.9
158.10933	3.6
159.02925	2.6
161.13266	7.4
163.11197	3.2
163.14836	23.8
164.07018	2.2
165.12752	8.3
167.10667	3.1
170.45753	2.2
173.13258	39.1
175.04668	1.7
175.14828	5.4
177.05510	5.2
177.07785	2.2
179.14311	4.4
191.14310	67.0
193.15918	3.4
209.15373	100.0
210.15776	2.9
227.16437	13.6
231.05046	5.0
249.06183	3.8
271.07153	2.4
288.02005	2.0
313.08252	3.1
318.13287	2.6
320.18793	2.0
331.09143	6.9
340.40454	2.1
451.74054	4.0
457.20581	3.5
492.17624	2.0
492.30383	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	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
53.78360	1.6
54.40305	1.6
55.05514	10.2
57.03426	3.1
57.07078	3.2
57.32540	1.7
59.27702	1.5
61.02942	2.6
64.45538	1.6
67.05499	7.4
69.03423	11.4
69.07074	7.7
70.65667	6.0
71.04987	5.1
72.51567	1.9
79.05491	9.2
81.03420	10.2
81.07059	19.1
83.04983	14.1
83.08613	8.4
85.02909	26.4
85.06553	3.1
87.00831	7.6
87.04457	2.2
88.70197	1.5
89.03932	1.9
91.05466	8.8
93.07040	13.1
95.04974	16.8
95.08605	10.6
97.02896	12.8
97.06532	11.1
98.97581	2.3
99.04436	9.9
105.01869	10.5
105.07029	21.2
107.05009	1.5
107.08598	23.9
109.02901	6.9
109.06512	20.8
109.07179	2.5
109.10153	25.8
111.08082	7.1
115.07595	4.0
117.03368	3.4
117.06972	3.2
119.08582	15.3
121.06512	2.7
121.10155	25.0
123.08067	6.7
123.11712	5.7
125.09615	6.0
127.03934	16.7
127.07551	2.5
131.08566	18.1
133.10136	35.4
135.04526	1.9
135.08057	6.9
135.11678	3.7
137.05942	7.8
137.09558	1.8
139.11217	3.0
141.08989	1.7
143.08597	2.6
145.02838	10.9
145.04980	7.9
145.10162	9.8
147.11685	19.5
149.06020	2.4
149.13266	12.7
151.11183	14.5
153.09116	15.0
154.08621	3.7
158.10886	5.4
159.02895	4.4
161.13268	6.9
163.14813	7.6
165.12766	5.0
167.14337	16.4
171.10295	1.8
173.13271	43.2
175.14850	29.6
177.05470	30.0
181.15828	1.8
189.12646	2.0
191.14310	36.9
193.15900	6.8
209.15366	100.0
227.16383	18.4
231.04927	2.2
245.35138	1.6
249.05916	3.0
337.19025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01847	1.3
55.05509	3.7
57.07076	1.3
65.03947	1.8
67.05495	3.1
69.03430	8.9
69.07071	5.3
70.65564	3.8
71.04993	1.9
73.02881	1.5
79.05492	7.2
81.03416	2.7
81.07065	4.5
83.04996	1.6
83.08614	1.7
85.02899	8.1
85.06542	1.7
87.00826	4.2
91.05478	11.6
93.07055	9.3
95.04990	1.8
95.08616	8.3
97.02901	4.8
97.06535	2.8
98.97595	1.6
105.01859	4.5
105.07031	25.1
106.07387	2.4
107.08598	70.8
109.02881	3.5
109.06519	4.3
109.10172	7.7
117.07019	2.2
119.08582	25.9
121.06471	1.8
121.10138	17.9
122.10435	1.3
123.08081	5.8
123.11678	1.8
125.09630	1.8
127.03918	5.5
127.48124	1.0
131.08572	14.3
133.10135	100.0
135.08040	9.1
135.11748	5.4
137.05991	3.9
137.09607	9.1
138.09956	3.0
143.08582	2.8
145.02919	5.4
145.05009	2.1
145.10080	6.0
147.11685	18.3
149.09697	1.5
149.13281	22.1
151.96626	1.2
154.08670	1.7
158.10916	3.2
159.02876	1.7
161.13307	2.3
162.13620	1.6
163.14839	8.8
173.13268	32.8
175.14824	43.9
177.05434	9.9
191.14311	73.6
192.14705	1.6
193.16002	1.3
197.62354	1.2
209.15379	5.4
221.67165	1.4
227.16464	3.6
231.05020	1.5
238.78110	1.3
249.05988	1.5
312.16263	2.0
417.53729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
55.38358	1.3
56.65342	1.1
57.07080	2.0
59.04996	1.3
61.02925	2.2
67.05496	3.2
67.19662	1.0
69.03426	38.0
69.07063	3.8
69.41793	5.2
69.42230	5.8
70.06585	4.1
71.04981	3.6
74.06095	1.6
76.02236	3.8
79.05486	4.4
81.03410	4.7
81.07050	5.7
83.04975	4.8
83.08645	1.6
83.61256	1.2
84.04485	2.0
84.08122	1.5
84.25006	1.4
85.02905	14.2
86.09730	1.8
88.03977	7.8
88.46302	1.3
91.05444	2.7
93.07042	4.4
95.04938	1.7
95.08603	6.0
97.02884	5.6
97.06537	2.4
98.20752	2.7
103.05467	1.4
105.00074	1.7
105.07021	5.6
107.04941	2.5
107.08593	14.9
107.13844	1.1
109.02859	2.9
109.06514	5.4
109.10133	3.4
111.04469	1.4
111.08098	4.3
119.08590	5.2
121.02798	1.7
121.06486	1.5
121.10136	13.9
122.02722	20.5
122.71645	1.4
123.04420	2.2
123.08106	3.2
123.11703	6.2
125.09625	17.8
127.03892	5.5
131.08565	5.3
133.10132	4.8
135.08063	10.0
135.11700	5.0
137.05942	2.4
139.92505	1.4
143.08539	1.8
145.04962	1.8
145.10130	3.1
147.04369	2.3
147.11694	3.4
149.09613	8.5
149.13252	3.9
151.03938	1.7
153.09152	6.4
153.10172	1.3
158.10866	1.7
163.14841	3.8
164.07054	1.9
165.12761	2.7
167.10710	2.3
173.13280	16.9
180.06526	1.4
191.14297	67.1
198.11299	3.2
205.11017	1.6
209.15361	100.0
223.11516	3.4
227.05237	4.0
228.05666	2.4
241.12576	5.6
287.07352	2.0
301.74728	1.4
302.87946	1.5
312.09027	1.3
330.17465	10.2
360.16647	2.0
367.62323	1.2
378.96085	1.4
492.13919	17.8
492.20282	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01876	0.4
55.05508	0.4
57.03438	0.3
65.03935	1.0
67.05487	0.8
67.51321	0.2
69.03429	1.3
69.07056	0.6
69.87324	0.7
69.87736	0.6
70.06573	0.2
71.04990	0.4
79.05481	0.6
79.48877	0.2
81.03416	1.9
81.07038	0.8
83.04958	0.4
85.02906	2.1
85.06519	0.3
86.09718	0.2
87.00826	0.5
91.05488	6.4
93.07025	1.2
95.04982	0.6
95.08607	0.5
95.61726	0.2
97.02888	1.0
97.06523	0.7
98.09743	0.3
99.04471	0.4
105.01868	0.5
105.07047	1.3
107.04924	0.5
107.08606	1.9
108.02094	0.3
109.02900	1.2
109.06522	1.1
109.10165	0.7
111.04443	0.7
117.07065	0.2
119.04933	3.2
119.08599	1.0
121.06502	1.0
121.10146	1.0
123.00829	0.3
123.04409	0.4
123.08038	0.5
125.05975	0.8
127.03931	1.3
131.08533	0.5
133.10130	1.4
135.04387	1.6
135.08020	0.7
135.11633	0.3
137.05980	24.2
137.09592	0.6
138.06311	0.3
141.05449	0.8
143.08554	0.3
145.02853	0.9
145.04915	0.5
145.10103	0.7
147.04437	0.4
147.11691	0.6
149.09615	0.5
149.13261	0.8
151.03909	30.2
151.04974	1.3
151.11119	0.2
152.07092	0.4
161.13226	0.3
162.05501	3.3
163.03882	1.2
163.14865	0.3
169.01329	0.6
169.04974	2.3
173.05997	0.3
173.13280	1.4
175.14790	1.9
177.05457	2.5
180.06558	100.0
181.06894	0.8
191.14320	3.0
203.58350	0.2
209.15318	1.4
211.13321	0.4
220.04903	0.2
227.16382	1.7
229.14333	0.5
235.13286	0.2
249.06041	0.3
289.08981	0.3
295.08206	1.9
313.09219	1.2
330.24365	0.4
492.18182	0.4
492.29187	1.5
497.30954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24323	0.3
55.01889	0.5
55.05508	0.9
57.03439	4.4
58.95361	0.3
61.02914	0.9
62.07768	0.3
67.05488	1.4
69.03422	2.9
69.07056	0.9
69.60113	2.2
70.06595	0.5
71.01357	2.7
71.04985	0.3
73.02914	4.0
74.03153	0.3
75.00970	0.3
75.04528	0.3
78.03442	1.8
79.05502	1.1
80.05013	2.4
81.03440	2.0
81.07059	1.3
83.01355	0.8
83.04963	0.8
85.02904	9.9
85.06554	0.3
87.04430	0.3
91.05481	39.5
92.05817	0.5
93.07045	1.1
95.01333	2.4
95.04951	0.8
95.08620	0.8
96.04494	2.7
97.02894	2.3
99.00812	0.7
99.04478	0.4
101.02383	1.5
103.03934	1.0
105.01859	0.6
105.07041	1.0
106.02924	11.2
107.08603	1.1
109.02894	1.3
109.10171	0.6
110.03214	0.4
111.08130	0.4
113.02385	3.0
119.08587	0.6
120.08096	0.4
121.06519	0.4
121.10130	1.0
122.06065	0.7
123.11721	0.6
124.03954	100.0
125.04250	0.4
127.03900	1.2
131.03424	1.8
131.08614	0.5
133.10141	0.4
135.08052	0.8
135.11664	0.7
137.05998	2.4
138.09056	0.4
141.01823	4.7
142.49051	0.3
145.04997	0.5
145.10126	0.5
147.04422	0.5
151.03918	0.5
151.11182	0.5
159.02917	0.9
163.03854	0.5
163.14882	0.4
164.07066	0.5
165.09119	1.3
169.01332	0.6
173.13362	0.4
180.04915	0.6
180.06552	14.6
191.14278	2.9
193.08607	23.8
198.07640	5.2
198.11269	0.5
209.15440	1.8
228.26366	0.3
247.13268	0.3
248.12779	0.4
274.18008	0.3
287.05557	3.0
288.05859	5.1
298.10706	0.9
303.18036	0.4
316.11795	41.4
317.12073	0.6
318.13293	0.4
320.18750	0.6
362.19931	0.5
369.11768	1.0
371.20929	0.4
383.70715	0.4
384.21457	1.2
394.22049	0.6
401.73160	0.4
474.25467	0.8
491.29822	0.4
492.14734	6.2
492.25668	0.6
492.30438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01867	1.1
55.05503	1.5
56.96572	0.7
57.03438	4.4
58.55944	0.5
61.02923	0.7
62.03226	0.5
67.05513	2.8
69.03427	4.3
69.07075	1.2
70.36308	1.0
70.36704	1.3
71.01354	3.3
71.04980	0.6
71.87582	0.5
73.02923	3.9
78.03455	1.6
79.05484	1.8
80.05000	2.0
81.03416	4.3
81.07044	2.8
83.01337	0.8
83.04990	0.9
83.08620	0.6
84.04491	0.7
85.02426	0.9
85.02908	13.0
85.06557	0.6
87.00829	0.7
90.99132	0.6
91.03940	0.9
91.05479	37.9
93.07061	1.6
95.01337	2.2
95.04974	1.6
95.08595	1.9
96.04482	1.4
97.02905	3.3
97.06542	1.9
99.04518	0.8
101.02379	2.2
103.03942	1.7
103.05494	0.7
105.07041	2.2
106.02916	9.9
107.04934	1.5
107.08608	1.8
108.08931	0.8
109.02870	2.3
109.06500	1.1
109.10151	2.1
113.02384	3.1
115.03983	0.7
119.04903	0.7
119.08599	1.0
120.08067	0.6
121.06478	1.7
121.10104	1.3
122.06046	0.8
123.11709	1.4
124.03954	100.0
125.09545	0.7
127.03886	2.4
129.06982	0.6
131.03438	3.1
131.04906	1.2
133.10115	1.4
135.08047	1.6
135.11684	0.7
137.05995	4.6
137.09671	0.6
141.01862	3.9
145.04921	0.9
147.04333	0.8
147.11710	1.0
149.05927	0.8
151.03937	1.4
151.11197	0.7
154.08656	1.6
157.06541	0.8
159.02934	1.2
161.06001	0.8
164.07115	0.9
165.09138	1.5
168.06496	0.7
175.07439	0.7
176.07146	1.0
177.05553	1.4
180.06561	15.6
184.07410	0.7
187.06015	0.7
191.14339	5.2
193.08614	24.2
198.07585	5.2
198.11284	1.7
209.15363	1.9
219.10167	1.5
227.16556	0.7
248.12859	0.9
274.18057	0.8
287.05554	2.1
288.05807	3.8
298.10739	1.3
316.11789	45.9
320.18671	1.4
356.10117	0.7
364.21216	0.8
369.11755	1.7
374.10730	0.7
384.21423	0.9
393.22040	1.1
394.22501	1.1
437.78009	0.6
456.09235	0.8
464.80252	0.7
473.75375	0.9
492.14624	9.3
492.25488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3735
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
55.05510	15.4
57.03450	2.8
57.07074	5.1
67.05509	69.2
67.53850	2.0
69.07067	9.5
69.84492	16.7
71.08608	2.7
79.05492	14.5
81.07062	46.4
83.05000	3.2
83.08619	6.5
88.77726	2.1
89.97234	2.4
91.05486	20.2
93.07055	21.9
95.08601	36.4
105.07033	13.7
107.08591	14.0
109.10157	35.0
111.08115	3.8
117.06998	2.9
119.08556	14.8
121.10140	11.2
123.11742	3.7
129.70285	2.3
131.08574	7.3
133.10109	12.4
135.11670	5.6
145.10115	7.3
147.11681	5.5
157.10170	2.9
157.60800	2.3
159.11684	4.4
161.09714	3.0
161.13255	2.5
173.11755	7.7
173.13156	3.2
196.76457	2.9
215.17845	2.7
399.32657	7.4
473.36490	15.4
491.29849	57.3
491.37241	100.0
492.30725	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	491.3736
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
53.14210	2.0
55.05518	15.1
57.03441	3.3
57.07077	3.6
59.05002	2.2
67.05508	67.2
69.07069	14.3
71.04984	2.9
71.71127	2.0
79.05498	14.5
81.07063	43.5
83.08608	8.2
87.98506	2.0
91.05493	17.7
93.07056	20.1
95.04987	3.6
95.08608	30.5
96.30647	2.3
97.06543	3.2
97.10175	4.2
105.07043	10.3
107.08612	13.8
109.10162	34.5
112.67811	1.8
117.07014	3.6
119.08559	11.5
121.10167	12.8
123.11684	5.2
131.08572	8.7
131.26653	1.9
133.10132	9.2
135.11716	9.7
137.13289	2.5
141.54083	1.9
143.08455	2.7
145.10072	4.7
146.30386	2.2
147.11697	7.2
155.10696	2.9
159.11719	4.8
161.13208	3.9
162.31999	2.1
163.14833	4.3
173.11749	9.7
173.13158	4.0
175.14783	3.0
199.94380	2.0
213.14809	4.0
249.58340	2.4
261.22244	2.9
263.23615	4.9
295.87631	2.1
381.31528	3.7
399.32520	7.7
473.36279	18.6
491.29822	23.8
491.37216	100.0
492.37360	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07249	1.3
53.03938	5.3
55.01868	7.5
55.05510	26.1
56.36295	1.3
57.03436	6.6
59.04986	2.2
59.31334	1.2
59.77529	1.3
63.35006	1.1
63.51197	1.1
65.03942	3.0
67.05505	38.5
69.03414	5.1
69.06763	1.6
69.07066	14.5
70.11918	1.3
70.72337	3.2
70.72685	2.4
71.04990	14.0
79.05493	47.1
81.03421	10.4
81.07056	42.3
83.04972	9.3
83.08627	12.2
85.02883	4.6
85.06530	4.7
87.04430	2.0
91.05483	33.8
93.07041	50.8
94.06580	2.3
95.04973	22.2
95.08611	23.2
97.02895	2.9
97.06537	8.4
97.10168	18.3
99.04439	2.5
103.05456	1.8
105.03368	1.7
105.07033	24.9
107.04956	46.0
107.08600	23.7
109.02908	3.5
109.06512	22.7
109.10150	14.2
110.09679	2.4
111.04461	1.7
111.08073	6.2
115.05459	3.0
117.07013	13.5
119.04922	3.3
119.08585	14.2
120.08118	1.8
121.02863	2.5
121.06506	33.6
121.10137	27.1
122.06023	7.3
123.04414	2.6
123.08046	6.3
123.11700	5.9
125.09626	16.9
127.03900	2.0
128.06200	1.9
129.07010	10.2
131.04944	3.7
131.08580	22.0
133.06497	6.3
133.10127	6.9
135.04395	2.9
135.08058	10.1
135.11681	4.9
136.07562	1.7
137.05988	6.7
137.09633	7.6
138.09091	2.0
139.11136	4.2
139.12135	1.5
141.06985	4.0
143.08568	7.1
145.06476	12.3
145.10138	14.6
147.04448	3.4
147.07991	7.9
147.11700	6.6
149.05962	1.5
149.09645	8.3
149.13306	2.4
153.09047	3.5
155.08578	6.3
157.06551	3.0
157.10127	3.8
159.08054	5.7
159.11720	5.2
161.06015	1.8
161.09633	3.5
163.11159	7.8
165.09106	36.3
166.08667	1.7
167.08582	1.8
167.10657	5.6
169.06407	1.9
169.10089	2.3
171.08025	4.4
171.11716	3.1
173.09636	3.9
173.13237	5.9
174.05489	2.4
175.07520	3.2
175.11145	3.5
177.12929	1.2
181.10135	2.2
181.12167	1.7
183.08112	1.4
183.11703	2.9
185.09634	3.1
185.13289	2.8
187.11153	3.7
189.11153	7.6
191.10765	1.5
191.14326	8.2
192.06497	2.7
193.12219	5.7
195.08070	1.7
195.11751	2.5
197.13269	3.2
199.11334	2.9
199.13272	6.2
201.12785	2.7
203.10716	3.2
203.14378	1.8
211.16827	1.3
213.12762	2.6
215.14255	3.8
217.12125	1.8
219.13774	16.3
225.12859	3.0
225.42322	1.4
227.12640	6.2
229.17918	2.9
231.13843	2.0
233.15410	4.4
237.10205	1.5
237.12682	2.4
241.15675	1.6
243.13757	2.1
245.15405	1.8
247.13329	2.1
247.16853	2.9
249.14828	4.3
251.11693	2.5
253.50990	1.3
255.13809	3.3
257.15375	2.9
265.13913	2.3
269.15335	1.7
273.14966	8.6
275.16382	8.0
287.16327	1.8
289.17999	2.7
293.17337	1.7
299.12961	2.1
319.24695	3.3
321.22076	1.9
323.62292	3.6
339.23224	4.0
349.21527	10.9
350.23981	1.6
353.12637	1.4
353.63364	4.1
357.24353	2.6
367.22650	24.1
385.23788	34.9
399.25629	2.0
403.24960	8.4
405.24368	2.8
414.65997	3.0
417.26196	3.7
430.25903	3.6
435.28253	1.5
441.26178	8.8
445.25784	2.4
459.27426	100.0
460.27615	2.9
463.26617	1.6
473.24310	1.7
491.30325	86.9
492.30316	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2565
Annotation	Decaturin C
Peak:m/z	Relative Intensity
50.16061	0.5
53.03951	0.7
55.01866	1.1
55.05301	0.5
55.05513	5.1
57.03449	3.9
57.07070	0.8
65.03936	0.8
67.05173	0.7
67.05500	10.5
69.03419	1.7
69.07069	6.4
69.85993	2.5
71.04980	1.0
76.33956	0.5
79.05493	9.0
81.03414	0.9
81.07059	13.4
83.04988	3.6
83.08616	1.9
85.06538	1.0
91.05481	8.8
93.07040	12.8
94.36405	0.5
95.04971	3.0
95.08602	10.2
97.06524	2.4
97.10172	1.2
98.01431	0.4
98.20839	0.7
98.98481	1.2
103.05485	0.6
105.07030	10.5
107.04962	3.9
107.08604	7.5
109.02867	0.4
109.06526	4.8
109.10164	4.5
111.08070	1.1
113.76287	0.5
117.07007	4.3
119.08586	7.0
121.06507	5.3
121.10132	5.8
123.08069	2.1
123.11682	1.5
125.09653	0.7
127.03909	0.5
129.07002	1.5
131.08559	7.0
133.06483	1.4
133.10136	8.5
135.08020	3.1
135.11682	2.9
137.06021	0.5
137.09605	1.7
137.16862	0.4
139.11212	0.5
143.08585	1.2
145.06499	1.0
145.10120	5.7
147.08063	1.5
147.11688	5.7
149.09621	2.5
149.13266	1.8
151.11174	2.6
155.10727	0.5
157.10141	2.0
159.08109	1.0
159.11656	3.9
161.09595	1.6
161.13303	1.2
163.11191	2.7
166.09488	0.6
169.10179	0.9
171.11671	1.3
173.09575	1.0
173.13199	3.1
175.11230	1.6
175.14804	0.7
177.12758	1.4
183.11664	1.3
185.13257	0.5
187.11087	0.8
187.14850	0.8
189.11215	0.5
189.12842	0.9
191.14278	1.3
193.15927	0.6
197.13277	1.4
201.12711	0.9
207.13789	1.5
213.16409	0.5
215.14375	0.9
215.17795	0.5
216.06310	0.7
217.15906	0.5
219.13803	1.8
229.19328	0.9
239.17885	1.3
247.20757	2.2
257.18997	5.3
275.20056	36.9
276.20529	0.8
293.21140	7.3
318.24261	0.7
331.22800	0.5
349.23727	100.0
350.23938	1.7
429.20316	1.4
447.21588	0.6
490.25864	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	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01873	7.6
55.05513	45.9
57.03424	3.1
57.07054	1.1
59.04993	0.9
61.83446	0.8
65.03929	1.6
67.05507	31.1
69.03433	7.9
69.07063	12.0
69.88803	0.8
71.04965	2.4
79.05067	1.9
79.05495	27.7
81.03428	12.5
81.07059	27.3
82.07373	0.9
83.04982	5.5
83.08141	1.6
83.08620	27.4
85.02888	1.8
85.06520	2.6
86.09712	1.1
91.04945	1.5
91.05473	14.8
92.32039	1.0
93.03442	1.2
93.07047	19.1
94.06548	1.3
95.04967	11.3
95.08154	0.9
95.08606	9.6
97.02863	3.1
97.06511	2.9
97.10172	64.3
98.20679	1.5
99.08062	1.4
105.06505	1.1
105.07040	11.9
107.04958	23.6
107.08596	23.2
109.02878	4.9
109.06520	10.6
109.10170	5.5
110.06011	1.1
111.04407	1.4
111.08048	3.9
117.07011	8.2
119.04945	1.5
119.08576	8.2
121.02852	3.8
121.06509	13.5
121.10119	4.1
122.06020	3.0
123.04451	2.1
123.08028	2.1
123.11710	2.2
125.05956	1.4
125.09634	48.6
127.03825	1.7
129.06975	3.8
131.04890	1.4
131.08542	9.2
133.06465	3.1
133.10126	6.9
135.04407	1.8
135.08058	11.0
135.11668	3.4
137.05951	4.0
137.09555	2.2
141.06917	1.1
143.08534	3.1
143.10663	2.3
145.06418	3.3
145.10144	5.0
147.04395	1.5
147.07997	2.1
147.11702	2.0
147.20560	0.9
149.02333	5.0
149.05951	1.6
149.09592	2.0
150.05412	1.2
151.03897	1.9
153.09103	7.2
155.08551	1.5
157.10107	2.3
159.08028	2.0
161.05928	1.9
161.09669	4.4
163.11220	5.8
165.09125	8.9
166.08633	1.6
171.08035	1.8
171.10170	3.8
171.11624	1.1
173.05997	1.1
173.09665	1.2
173.13312	5.6
175.03773	0.9
175.11183	1.0
178.05054	1.3
181.12267	1.0
184.07245	1.1
185.09601	1.2
187.11087	0.9
189.09116	2.7
189.11226	37.0
189.12758	1.5
191.14317	7.7
193.04973	3.7
193.12204	3.7
199.11166	1.8
201.09061	0.9
201.12698	2.4
203.10570	1.4
213.09160	1.2
217.12325	1.5
219.13800	52.5
225.11159	2.9
227.10526	1.2
227.12775	25.2
228.89700	1.0
237.07608	3.1
237.14920	1.8
245.11693	2.2
247.13239	1.9
263.12756	9.3
281.13696	2.9
300.77731	1.0
321.05786	3.4
325.21634	1.3
353.21069	2.7
363.19308	1.7
367.22641	2.2
371.22232	8.6
381.20816	4.3
385.23758	1.8
389.23230	11.5
399.21475	7.7
407.24167	3.8
415.46451	1.0
417.22537	3.0
430.25671	3.9
445.25848	18.8
447.27109	3.9
459.27213	4.3
463.26907	13.9
473.14719	1.8
473.25235	18.9
473.31656	1.5
489.40744	1.1
491.26215	100.0
492.26874	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38176	0.4
53.03944	0.7
55.01867	0.5
55.05503	1.8
57.03430	0.6
67.05496	0.8
69.03413	1.7
69.07066	2.4
73.02880	0.5
79.05501	0.7
81.03411	1.7
81.07049	1.3
81.35785	0.3
85.02905	3.1
87.00836	2.2
91.05463	1.7
93.07055	2.4
95.08604	0.5
95.73498	0.4
97.02883	2.4
99.04456	0.9
103.05477	0.3
105.01852	3.7
105.07023	12.7
107.08578	2.4
109.02877	3.4
117.06939	0.4
119.08581	27.7
121.10123	1.6
122.06040	0.5
123.08029	0.4
127.03911	5.0
131.08519	0.9
133.09109	0.5
133.10129	9.6
145.04965	2.5
145.10121	0.8
146.10939	0.9
159.03015	0.4
159.11732	1.1
161.13251	100.0
162.13562	0.7
179.14307	1.4
189.12778	1.3
207.13799	44.9
213.03961	1.4
230.71553	0.6
231.04999	4.0
249.06004	0.9
267.11154	0.3
284.09708	1.8
313.83929	0.4
340.65985	0.4
473.65851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01871	2.6
55.05516	6.2
57.03443	3.9
57.07071	1.0
61.37539	0.8
62.06093	8.7
67.05170	1.1
67.05508	14.4
68.31888	0.8
69.03451	1.2
69.07069	7.4
70.90106	0.8
71.05013	1.2
71.58999	1.0
76.15792	0.8
79.05495	12.6
81.03426	1.6
81.07063	15.6
83.05007	4.5
83.08622	3.5
85.02903	2.0
86.29050	0.8
91.05482	10.6
93.07046	15.4
95.04978	4.2
95.08617	11.8
97.02926	0.9
97.06534	3.5
97.10176	2.8
98.98470	18.1
99.08072	1.0
105.07029	15.3
107.04964	4.1
107.08595	13.5
109.06526	6.1
109.10155	6.9
111.08049	1.1
115.05469	0.7
117.07021	5.0
119.08585	10.7
121.06512	6.1
121.10143	6.8
123.08105	3.7
123.11716	1.8
125.09673	0.9
129.07030	2.3
130.82690	0.8
131.08577	14.2
133.06497	1.5
133.10138	10.6
135.08083	3.8
135.11700	3.6
137.05957	1.2
137.09616	2.1
141.06978	1.1
142.02592	1.1
142.07764	1.0
143.08531	2.0
145.06479	1.5
145.10127	8.0
147.08055	2.1
147.11702	9.4
149.09610	5.9
149.13277	2.2
151.11176	3.0
153.09087	1.0
155.01080	2.6
155.08562	1.8
157.10143	2.8
159.08084	1.2
159.11708	7.4
161.09598	2.3
161.13243	2.7
163.11206	5.4
169.10187	2.0
171.11722	3.1
173.02144	2.9
173.09677	1.8
173.11765	2.9
173.13255	4.5
175.11234	2.2
177.12753	2.7
181.11650	0.9
183.11725	1.8
185.13165	0.9
187.11165	1.7
187.14868	1.2
191.14253	3.6
197.13243	1.3
201.12775	2.9
207.13763	1.8
211.14914	1.1
215.18001	2.6
216.06389	1.3
217.15854	0.8
219.13916	2.4
229.19617	1.8
233.19038	1.3
239.18021	2.3
247.20634	3.0
257.18994	9.7
263.08948	0.8
269.49057	0.8
275.20078	72.3
276.20535	1.7
293.21152	8.4
318.24332	2.1
349.23740	100.0
350.24207	1.4
411.19156	0.9
429.20410	82.7
430.20493	1.4
430.25714	1.1
447.21384	19.8
449.70132	0.9
472.24799	8.7
490.25671	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05516	12.9
57.14838	0.7
67.05502	4.6
69.03428	2.4
69.07072	2.1
69.70342	1.6
69.70742	4.8
71.04992	1.4
78.56158	0.7
79.05492	3.6
81.03392	1.9
81.07055	5.6
83.04991	1.1
85.02898	4.0
87.00851	1.5
91.05489	7.9
93.07047	11.7
95.04977	3.9
95.08588	3.4
97.02914	2.0
97.06537	8.8
98.21545	0.9
99.04430	1.3
103.05476	2.0
105.01860	1.8
105.07032	100.0
107.04939	4.7
107.08598	18.5
109.02854	1.5
109.06526	7.0
109.10152	8.7
117.07018	1.9
119.08583	40.1
121.06500	3.2
121.10168	1.5
123.08092	0.9
127.03882	2.9
128.06203	2.0
129.07031	1.8
131.08592	6.9
133.06485	2.2
133.10085	6.5
137.09619	99.1
143.08556	10.2
145.10130	10.1
147.08018	2.8
147.11674	2.9
147.82001	1.0
156.09351	4.1
159.11714	4.2
161.09610	1.5
161.13264	37.9
163.11218	4.0
170.92212	0.8
171.11711	14.9
173.13348	1.4
177.05443	2.0
179.14337	1.1
188.01743	0.8
189.12750	24.7
207.13782	5.5
231.04994	1.2
465.61130	0.8
490.28070	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.05264	1.0
55.05513	11.2
56.96572	0.6
57.03445	0.8
61.02930	0.9
64.26357	0.5
67.05495	1.9
69.03423	1.7
69.07069	2.5
70.06579	0.6
70.16926	1.1
70.17331	2.1
71.04993	1.2
73.02923	1.1
76.07670	0.8
78.44997	0.6
79.05491	3.0
81.03419	1.4
81.07066	5.8
83.04997	1.0
85.02905	4.6
86.09711	0.6
87.00819	1.2
91.05486	8.2
93.07048	18.6
95.04971	3.2
95.08621	2.2
95.50099	0.6
95.64545	0.6
97.02899	2.4
97.06525	7.9
97.22234	0.6
97.28976	0.6
98.20818	0.9
103.05445	1.2
105.01879	1.2
105.07036	100.0
107.08589	7.0
109.02869	1.3
109.06543	1.9
109.10149	1.1
117.07051	1.8
119.08583	30.7
121.06484	0.8
121.10171	1.6
121.60009	0.6
123.08060	1.9
127.03924	2.8
128.06258	1.4
129.06978	1.4
130.07764	0.7
131.08565	8.4
133.06531	1.4
133.10133	5.5
137.06104	1.0
137.09625	13.8
142.07724	0.9
143.08560	10.5
145.04988	1.7
145.10126	8.6
147.08029	1.4
147.11700	1.0
149.09630	1.1
150.61241	0.6
155.08531	0.9
156.09358	5.0
159.11719	2.9
161.09641	1.3
161.13268	25.3
161.14618	1.2
164.06982	0.8
171.11691	13.4
189.12749	26.8
207.13823	7.3
259.22214	0.6
326.98312	0.6
395.22086	0.7
409.64883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
55.01871	0.8
55.05513	0.8
57.03447	0.9
61.02937	1.1
64.54685	0.3
65.03949	1.2
67.05506	2.5
69.03429	4.1
69.07074	0.6
71.05000	0.7
71.15899	0.9
73.02930	0.9
74.36745	0.3
77.03959	0.3
78.24365	0.3
79.05524	0.6
81.03428	5.8
81.07071	1.5
83.04999	1.5
84.04494	0.4
85.02912	6.5
85.06549	0.4
86.09721	0.4
87.00855	1.2
91.03989	0.7
91.05488	1.4
93.07018	1.5
95.04985	1.3
95.08613	3.6
97.02905	3.7
97.06561	0.4
99.04472	1.5
104.05010	1.2
105.01875	1.8
105.06378	0.3
105.07021	1.8
107.04973	0.9
107.08601	1.1
108.02106	1.3
109.02876	3.5
109.06532	1.2
109.10178	0.9
111.04437	2.2
111.08037	0.5
119.04961	0.5
119.08584	1.6
121.06540	0.4
121.10151	1.5
122.06016	0.8
123.08076	2.4
123.11763	0.6
125.06015	1.4
125.09697	0.7
127.03931	4.6
131.08592	0.4
132.04456	4.8
133.06494	0.5
133.10161	1.0
135.11739	0.8
135.39247	0.3
137.05984	1.6
137.09605	0.8
139.07545	0.4
141.05464	2.0
145.02863	0.6
145.04959	1.6
145.10104	0.4
145.62856	0.3
147.04428	1.3
147.11682	0.7
147.61172	0.3
149.05948	0.3
149.09648	1.1
151.03917	76.3
151.04980	4.1
151.11203	2.0
152.04280	0.6
152.07065	1.4
157.10268	0.3
159.02911	0.4
161.13260	1.1
163.07552	0.4
165.09103	0.8
165.12752	0.8
169.04997	3.9
173.04498	0.7
177.05490	1.4
178.05005	100.0
179.05324	1.2
179.06906	0.3
179.14337	1.0
184.07343	0.4
189.12762	1.7
204.88571	0.3
207.13820	5.1
213.03970	0.6
225.11220	0.6
225.14835	0.5
231.04990	1.2
249.09033	0.5
251.16418	0.4
293.08066	1.6
295.08145	7.3
312.85797	0.4
313.09195	3.9
345.56842	0.4
453.71408	0.3
458.74258	0.4
490.13190	1.4
490.22156	0.4
490.28305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	2.2
55.05510	10.1
57.03424	3.0
57.07069	1.8
59.04979	2.3
65.03919	1.5
65.29667	0.9
67.05506	49.3
69.03419	1.0
69.07074	8.3
69.34703	10.1
71.04970	1.6
71.30184	0.9
79.05494	20.9
81.03374	1.0
81.07060	27.2
83.05016	1.2
83.08613	5.9
84.85356	0.9
91.05480	15.4
91.58384	1.0
93.07047	23.7
93.54162	0.9
95.04955	2.3
95.08611	19.2
95.09179	2.0
97.06551	2.1
97.10183	3.2
105.07036	15.5
107.08599	13.1
109.10156	29.9
117.07007	4.7
119.08582	15.7
121.10144	9.9
123.08067	1.1
123.11684	2.4
129.07053	2.8
131.08575	10.3
133.10141	11.3
135.11696	7.0
137.09605	1.6
143.08577	4.4
145.10118	10.7
147.11693	7.2
149.13274	3.4
151.11240	1.2
155.08568	1.7
155.10693	1.6
157.10133	2.7
159.11690	8.0
161.13240	4.8
169.10147	2.4
171.10400	1.1
171.11592	4.7
173.11755	6.9
173.13287	6.3
175.14790	2.2
183.11740	3.2
184.07318	2.5
185.13289	4.4
187.14867	3.2
197.13351	1.6
199.14864	2.6
211.14740	1.2
235.94792	1.1
237.47919	1.0
259.20529	1.3
261.22208	3.2
377.26804	1.5
379.30096	4.8
391.28540	1.3
397.31018	8.5
415.32132	1.5
433.32452	1.2
471.34790	8.4
489.35809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01861	0.9
55.05512	13.3
61.02921	1.0
65.03946	1.3
67.05508	1.6
69.03429	1.8
69.07047	1.5
71.04993	0.8
71.11275	1.4
72.08144	0.7
79.05502	3.3
81.03424	1.8
84.04508	0.7
85.02900	7.1
86.09698	1.3
87.00827	2.7
87.04446	1.0
87.67535	0.7
91.05479	6.2
93.07074	3.4
95.04967	1.6
95.08585	0.8
97.02889	3.6
99.04459	1.3
100.97871	0.6
103.05470	1.7
105.01868	5.0
105.07030	97.7
106.07352	1.2
107.08591	21.0
109.02847	2.9
109.06494	2.5
111.71979	0.7
113.05997	1.0
115.05444	0.8
117.07011	6.8
119.08582	31.8
121.06517	2.6
121.10189	0.8
127.03922	4.9
129.07005	2.7
130.07788	1.2
131.04895	1.4
131.08556	12.5
133.06499	2.1
133.10135	2.8
133.69098	0.7
135.08099	0.8
135.11687	1.2
137.05977	2.0
143.08575	1.1
144.09346	8.5
145.04979	2.2
145.06432	1.3
145.10080	0.9
149.05980	26.5
151.07545	17.9
157.10146	1.9
159.11694	100.0
160.11992	1.4
161.09601	0.6
161.13268	5.3
163.07512	5.4
164.11864	0.7
177.12747	4.2
187.11197	2.9
205.12245	72.2
206.12602	0.8
231.04965	3.0
249.06024	1.2
271.04239	0.7
316.72144	0.7
322.51001	0.7
401.17935	0.9
469.19165	0.8
488.21924	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	488.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01878	0.7
55.05513	2.8
57.03426	1.2
59.04981	1.2
60.04509	1.2
61.02918	1.7
67.05495	2.7
69.03435	3.1
69.07051	1.1
70.06597	1.4
70.65672	2.1
70.66033	0.6
71.04993	100.0
79.05505	2.1
81.03403	4.2
81.07069	1.9
82.41723	0.6
83.04991	2.4
85.02909	9.3
85.41756	0.7
87.00847	3.7
87.04475	4.5
91.03962	1.6
91.05482	8.6
93.07034	2.3
95.04985	1.7
95.08635	1.8
97.02890	4.2
97.06560	0.9
98.20892	0.7
98.25084	0.7
99.04459	2.2
102.42161	0.7
103.03938	0.9
103.05482	0.8
104.07889	0.7
105.01872	3.7
105.07026	13.3
107.08593	46.4
109.02886	5.8
109.06519	5.5
109.10206	0.7
111.04475	0.9
117.07027	6.3
119.08579	34.1
121.06500	0.8
121.10155	0.8
122.06131	0.9
127.03918	11.7
127.04802	0.9
129.07034	1.6
131.08562	5.0
133.06538	1.0
133.10152	2.9
135.08055	1.3
137.05986	1.2
137.09702	0.6
143.08606	0.9
143.10735	0.6
144.09392	2.0
145.05011	2.7
145.10147	1.2
147.08119	1.3
149.05983	0.9
151.07584	2.3
157.10170	1.4
159.11694	45.8
161.13237	7.6
163.06143	0.8
163.07678	0.9
163.11229	2.2
164.10744	1.9
172.08841	0.9
177.12741	4.5
187.11185	3.4
205.12238	68.4
206.12679	0.7
209.15317	0.9
213.03917	4.4
231.05009	7.3
245.05969	3.8
249.06029	1.3
273.05603	2.3
291.06476	12.5
292.06937	0.8
328.88870	0.7
375.74203	0.7
390.44952	0.7
400.49609	0.7
417.15494	3.2
435.16467	1.5
450.25327	0.8
488.21780	1.3
488.28555	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1971
Annotation	Callophycoic acid G
Peak:m/z	Relative Intensity
53.03928	9.1
55.01864	5.6
55.05494	4.3
56.29041	3.3
56.96565	6.4
57.03412	6.0
61.02917	6.8
67.05487	5.4
69.03432	35.5
69.07043	10.1
70.06573	8.2
71.04981	7.8
71.24831	8.2
72.08127	9.0
72.62634	3.8
73.02910	5.8
81.03423	22.2
81.07061	6.6
81.32172	4.0
83.04975	3.8
84.04496	8.1
84.08133	3.6
85.02904	69.7
86.09690	11.4
87.00815	14.5
91.05466	16.7
93.07035	15.1
95.04940	8.4
95.08607	7.3
97.02885	28.6
98.97581	6.9
99.04435	13.4
99.09225	3.5
102.05564	3.9
105.01846	21.0
105.07035	32.9
107.04938	4.4
107.08589	43.4
109.02881	19.7
109.06557	3.7
109.10152	7.0
116.98644	6.0
119.03426	3.4
119.08575	40.9
120.08160	4.8
121.06506	13.2
121.10104	7.4
123.08086	8.9
127.03908	40.9
130.06511	7.6
131.08627	6.7
131.09489	4.1
133.10130	43.6
134.06003	10.5
135.08041	14.6
135.11719	19.0
137.05991	7.4
143.08546	5.3
145.04950	17.7
145.10062	6.5
146.05995	18.7
147.04443	4.9
147.08028	8.0
147.11632	4.2
149.09587	8.3
151.11176	7.8
153.09108	5.1
158.06091	9.7
159.02840	5.2
159.06795	7.6
159.11667	14.9
161.05888	3.8
161.09605	48.1
161.13249	10.2
163.11150	12.7
165.09154	25.2
167.07127	4.2
174.05522	31.7
175.11165	6.9
175.14804	3.4
176.06938	4.0
177.00566	4.0
177.05475	12.0
177.12782	19.5
179.10672	88.9
187.11191	9.9
189.12720	8.2
205.12224	67.9
207.13777	14.8
223.03867	6.4
223.13304	54.6
231.04926	3.9
240.04124	10.0
241.04776	4.4
241.14340	100.0
269.04453	18.7
280.09656	15.4
294.56924	4.6
298.10684	13.9
309.15527	4.7
310.10745	12.2
315.04892	15.5
327.13351	35.8
430.34158	4.4
453.16547	4.7
471.18100	4.5
475.06912	4.0
489.10141	29.3
489.19058	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	488.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39780	0.5
55.01606	0.5
57.03439	10.7
57.07078	20.9
59.05019	0.6
63.82607	0.5
66.36917	0.5
67.04224	0.5
69.03400	0.6
70.96124	0.6
71.01366	0.6
71.89639	0.5
73.02910	0.9
85.02912	5.1
85.06545	25.1
85.60413	0.5
86.06832	0.6
91.05482	54.7
92.05828	0.8
95.01323	1.9
95.76183	0.5
99.00815	0.7
103.07584	7.5
107.04882	0.6
113.02376	1.1
131.03412	1.3
137.05943	1.3
141.01822	3.3
141.20380	0.6
159.10170	100.0
160.10495	1.0
181.87723	0.6
184.07353	0.7
193.08612	37.0
277.14337	16.1
295.15390	1.1
351.98016	0.6
358.30118	0.6
416.25250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39780	0.5
55.01606	0.5
57.03439	10.7
57.07078	20.9
59.05019	0.6
63.82607	0.5
66.36917	0.5
67.04224	0.5
69.03400	0.6
70.96124	0.6
71.01366	0.6
71.89639	0.5
73.02910	0.9
85.02912	5.1
85.06545	25.1
85.60413	0.5
86.06832	0.6
91.05482	54.7
92.05828	0.8
95.01323	1.9
95.76183	0.5
99.00815	0.7
103.07584	7.5
107.04882	0.6
113.02376	1.1
131.03412	1.3
137.05943	1.3
141.01822	3.3
141.20380	0.6
159.10170	100.0
160.10495	1.0
181.87723	0.6
184.07353	0.7
193.08612	37.0
277.14337	16.1
295.15390	1.1
351.98016	0.6
358.30118	0.6
416.25250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
57.03435	1.3
61.02914	1.2
63.98644	0.5
67.05504	0.8
69.03434	4.4
69.07055	0.9
69.45304	3.5
69.45724	1.3
70.06586	0.8
71.05000	34.0
73.02895	0.6
79.05484	1.3
81.03429	2.7
81.07065	1.3
83.04981	1.1
85.02912	14.3
86.09702	1.0
87.00803	1.0
87.04453	1.6
91.03903	0.7
91.05492	3.7
93.07036	1.1
95.04961	1.2
95.08604	0.7
97.02888	4.7
99.04431	1.3
103.03934	0.7
103.05481	0.6
105.01872	1.4
105.07047	5.3
107.08601	18.7
109.02899	4.5
109.06527	3.1
109.10150	1.0
117.07013	1.9
119.08591	13.5
122.05991	0.7
127.03931	6.9
129.07028	0.6
131.08582	2.5
133.10110	1.9
137.05986	0.9
137.48621	0.6
144.09331	1.5
145.04955	3.0
147.04382	1.5
149.05913	0.6
159.11697	16.8
161.13286	3.7
163.07426	0.6
163.11270	0.9
177.12756	2.1
187.11212	1.1
189.07014	1.2
191.08635	0.7
205.12254	21.1
207.08151	0.6
213.03912	2.0
217.06512	2.0
219.08025	0.8
229.07449	0.6
231.05008	2.3
235.07372	0.9
245.05986	32.4
246.06468	0.7
247.07549	1.8
249.05991	0.6
273.05490	19.9
291.06537	100.0
292.06833	2.7
435.16739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2875
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05512	2.5
57.03447	4.8
57.07079	19.8
67.05500	4.9
69.07060	3.6
71.08628	15.9
71.57455	1.3
81.07061	6.1
83.08618	3.5
85.10178	8.3
87.04464	1.8
89.06083	1.0
91.05482	0.9
95.08600	9.7
97.10186	1.9
98.98472	16.3
105.07041	1.2
109.10147	4.2
116.99506	0.8
123.11701	2.2
133.10138	1.4
155.01036	11.9
155.06044	0.9
173.02165	1.9
229.04765	1.2
236.75273	0.9
239.23666	1.7
247.05864	1.4
278.59656	0.8
313.27368	100.0
314.27759	2.2
328.21756	0.9
334.94525	0.9
347.34598	0.9
393.23984	3.0
400.44119	0.8
403.75961	0.9
424.37570	0.8
449.26657	8.8
463.12576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95852	1.0
53.03952	8.7
55.01878	8.7
55.05497	1.9
57.03424	5.1
60.08150	2.9
61.02917	1.9
69.03432	17.7
70.06586	2.4
71.05014	5.4
71.09534	2.8
72.08146	1.1
73.02913	4.7
78.02690	1.0
81.03417	29.0
83.04981	2.8
83.65784	1.2
84.08121	1.2
85.02897	18.1
86.09708	15.0
87.04485	1.2
88.04883	1.1
97.02898	50.2
98.98418	1.4
99.04456	28.6
104.10721	1.4
109.02882	100.0
112.07584	1.8
115.03913	4.5
117.00351	1.2
117.05515	2.1
121.57433	1.0
125.00028	9.4
125.02380	1.1
127.03919	64.9
139.03912	7.0
140.07051	2.2
140.61636	1.1
145.04965	17.5
147.04451	1.7
157.08598	4.9
169.04974	10.5
180.06557	3.6
184.07346	50.7
187.06020	32.6
205.07083	61.7
229.07057	4.7
247.08089	9.6
250.35394	1.1
286.12680	1.2
306.13898	1.1
333.12109	1.4
450.22360	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	484.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04084	1.2
51.02410	0.9
57.07077	12.2
60.81041	0.9
67.05483	2.3
69.07050	3.1
70.06592	12.3
71.08620	6.8
71.54743	1.5
81.07040	1.6
83.08608	1.9
84.76530	0.8
85.10171	3.5
88.07635	15.1
95.08624	3.0
97.10173	1.2
102.09182	13.6
104.92785	1.2
105.48896	0.9
109.10175	1.0
200.20119	11.6
209.71704	1.1
228.20967	1.6
228.23241	31.3
246.24301	2.6
255.23219	2.8
256.26373	1.7
283.26340	30.9
311.29477	10.0
484.47266	100.0
485.47458	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	485.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05489	1.5
56.78168	0.8
57.03437	0.9
61.02900	0.9
65.03944	0.6
67.05491	3.1
69.03429	6.3
69.07049	1.9
70.06577	1.0
70.51774	2.0
71.04969	2.8
73.02892	0.6
79.05474	3.3
81.03415	8.2
81.07050	3.8
83.04962	1.7
83.08585	0.9
85.02901	7.0
85.06496	1.3
86.09698	0.9
87.00806	1.5
89.03907	6.0
91.05460	3.0
93.07045	3.6
95.04970	1.8
95.08591	3.8
97.02897	7.2
97.06518	2.2
98.10355	0.7
99.04451	3.1
99.08134	0.8
105.01888	1.6
105.07029	3.2
107.04953	0.8
107.08596	4.3
109.02217	1.2
109.02879	12.1
109.06510	1.2
109.10155	2.6
111.08102	0.8
117.03375	16.8
117.06951	0.7
119.04911	1.1
119.08591	3.4
121.06487	1.4
121.10120	3.5
122.06022	1.3
123.04472	0.8
123.11709	1.1
125.05972	2.0
125.09635	1.0
127.03909	11.2
131.08548	1.8
133.10115	3.1
134.03636	1.2
135.04419	2.1
135.08009	1.5
135.11705	1.7
137.05986	1.8
137.09512	0.8
138.09122	0.8
143.08522	1.2
144.04474	1.0
145.02840	50.6
145.10118	2.4
147.04405	3.6
147.11699	1.3
149.05966	5.9
149.13228	1.1
151.07513	1.1
151.11172	0.7
157.10019	0.8
159.11710	1.7
161.13170	1.2
163.03876	1.7
163.07500	1.8
163.11201	1.8
173.13277	2.5
175.14833	3.0
177.05463	100.0
178.05858	1.3
184.07310	1.3
186.05495	2.2
187.11105	0.7
187.14844	0.8
195.06516	5.6
201.12845	0.8
219.13747	4.3
235.02051	0.7
237.14816	1.8
256.16354	1.2
263.06903	0.8
264.13626	0.7
294.80640	0.9
321.09592	2.7
323.09128	1.6
323.14725	1.0
372.58447	0.7
425.10727	19.0
485.19897	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83780	0.6
55.05510	2.2
57.03439	5.9
59.05000	2.7
61.27940	0.6
67.05496	1.6
68.20610	0.6
69.03433	23.8
69.07076	5.1
70.84112	1.8
71.08633	46.7
71.11645	0.6
73.02918	0.7
75.04475	1.2
79.05487	1.1
81.03428	1.7
81.07041	1.8
83.04989	1.0
85.02906	16.4
87.03986	1.1
87.04474	13.9
93.07051	0.6
95.08627	1.1
97.02893	16.2
97.06538	2.4
97.10163	0.5
99.04483	1.0
99.08095	100.0
100.08420	1.0
104.10754	0.7
107.08582	1.4
109.02882	1.7
109.06497	0.6
109.10191	1.1
111.11731	0.9
115.03934	19.7
115.04744	1.0
119.08594	1.0
122.06049	1.2
127.03959	2.6
129.12756	11.0
131.08569	0.6
133.04970	20.2
133.10123	0.7
137.06006	0.6
145.04953	2.8
147.04451	1.0
150.07640	1.0
151.11185	0.6
155.14311	2.2
163.03889	0.9
163.90710	0.5
173.02328	0.8
173.15379	83.9
174.15759	0.8
175.06010	0.6
177.05440	0.7
178.04823	0.7
179.06799	0.6
184.07442	1.0
200.71907	0.6
215.07129	1.0
216.07382	0.8
217.71484	0.6
277.09146	0.8
292.12601	0.9
295.10202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
65.03925	0.9
68.02649	0.5
69.03426	1.4
70.39912	1.3
81.03414	0.6
85.02902	2.6
87.44936	0.5
91.05482	15.8
97.02892	1.0
107.04965	0.4
109.02874	1.2
109.06506	1.1
111.04408	0.5
113.05984	1.2
119.04947	10.7
126.03125	0.7
127.03931	0.6
137.05977	100.0
138.06337	1.0
139.03908	2.0
141.05487	5.7
147.04477	0.7
151.03860	0.6
153.05417	0.5
154.02608	2.9
154.08604	0.5
164.07065	0.8
164.23549	0.4
169.04961	13.1
171.06519	1.1
185.06026	0.7
187.07533	0.6
199.07552	0.4
200.04683	3.3
201.05507	0.7
213.05426	0.6
215.06992	2.1
227.07027	0.7
228.04256	0.6
230.07994	0.5
243.06558	7.0
244.09732	3.5
245.08018	1.2
259.06100	0.9
260.06836	1.2
272.09180	6.4
273.07529	8.1
287.09149	0.6
290.10229	2.2
304.11816	6.7
305.10190	24.3
322.12842	28.1
323.13120	0.7
364.14203	0.6
398.11951	0.5
416.13361	1.0
418.26492	0.4
430.15067	1.0
434.14594	0.9
448.16116	1.3
466.16858	1.7
484.18417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
60.87346	0.4
61.02944	0.5
65.03953	1.2
69.03420	1.2
69.83029	2.3
73.87118	0.5
81.03413	0.6
85.02901	2.7
91.05482	13.8
91.44366	0.4
97.02896	0.9
109.02885	1.3
109.06516	1.1
111.04449	2.0
113.05975	0.7
115.70470	0.4
119.04945	8.7
123.04427	0.5
125.05930	0.5
126.80109	0.5
127.03905	0.8
135.04376	0.6
137.05972	100.0
139.03903	3.3
141.05475	5.4
145.04904	0.4
153.05382	0.4
154.02663	0.7
154.08641	0.7
158.07231	0.6
164.07126	0.8
169.04953	8.8
171.06517	3.4
186.06441	0.4
187.07565	0.7
187.99207	0.5
194.19009	0.4
200.04689	4.0
201.05499	0.7
203.07150	0.4
215.07031	3.0
228.04257	0.8
229.04919	0.8
230.34459	0.5
241.04810	0.7
241.69865	0.4
243.06555	4.5
244.09752	3.8
245.08180	1.5
246.01421	0.4
260.06750	0.8
272.09164	5.4
273.07541	9.1
275.37485	0.4
275.49182	0.4
280.11765	0.7
286.66061	0.4
290.10251	3.2
302.89603	0.4
304.11783	8.4
305.10178	14.5
315.65088	0.4
322.12845	31.5
323.13031	0.7
364.13702	0.5
430.14935	0.7
448.15945	1.7
466.16983	1.2
484.10913	1.6
484.17996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01861	0.4
57.03444	0.5
61.02905	0.4
63.34016	0.3
65.03932	0.9
66.47137	0.4
68.99770	0.4
69.03419	1.3
70.19901	0.9
70.20302	0.9
81.03416	0.8
81.07030	0.4
81.60281	0.4
83.04955	0.6
85.02907	2.6
90.97916	0.4
91.03963	0.3
91.05480	14.5
97.02887	1.1
98.52328	0.3
107.05000	0.4
109.02869	1.3
109.06522	1.2
111.04435	1.4
113.05993	0.8
115.05518	0.4
119.04942	8.3
123.04422	0.7
125.06025	0.4
127.03877	0.4
134.06047	0.4
137.05974	100.0
138.06296	0.7
139.03912	4.2
141.05464	6.5
147.04358	0.5
153.05431	0.6
154.08609	0.5
155.04967	0.4
158.07175	0.4
164.07121	0.6
169.04948	6.7
171.06548	4.1
172.05070	0.4
175.07515	0.4
187.07561	1.0
200.04721	3.7
201.05432	1.1
213.05478	0.6
215.07066	2.7
216.07855	0.5
227.07022	0.5
229.05156	0.4
230.05655	0.4
241.05074	0.4
243.06555	3.7
244.07413	0.6
244.09698	4.7
245.08116	1.5
259.06024	0.4
260.06818	1.0
272.09183	4.3
273.07556	8.9
273.10449	0.5
276.12189	0.4
290.10120	2.1
304.11807	10.0
305.10175	8.7
305.13507	0.6
322.12836	31.2
364.14005	1.2
380.11069	0.4
398.12335	0.8
400.13992	0.7
430.14987	1.4
448.15994	2.0
465.98355	0.4
466.17056	0.7
484.17596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.4
57.04248	0.3
57.40520	0.3
61.02891	0.4
67.05483	0.7
69.03397	1.5
70.06555	1.1
70.99327	0.7
71.04965	0.5
71.59591	0.3
79.05485	0.4
81.03391	1.3
81.07036	0.7
85.02509	0.3
85.02905	3.0
85.06516	0.3
86.09695	0.6
91.03918	0.4
91.05465	0.8
93.07012	0.4
94.06541	0.9
95.04937	0.5
95.08588	0.5
97.02869	0.9
97.06528	0.4
99.04427	0.5
105.06995	0.4
107.08582	0.4
109.02875	0.9
112.07616	0.7
113.03486	0.6
120.07919	0.3
121.10136	0.4
122.06023	2.1
125.00104	0.3
127.03886	1.4
131.08525	0.3
136.07585	9.3
137.05946	0.5
140.07033	0.8
145.04958	0.5
156.08150	0.4
162.05580	0.3
163.11234	0.4
164.07077	16.0
165.09102	0.3
168.08058	0.6
169.08890	0.3
174.09061	0.4
175.11069	0.3
182.08208	2.8
183.09137	0.5
184.07487	1.5
184.11197	1.2
193.07498	0.4
195.09190	1.6
196.09958	9.0
209.07101	0.9
210.07852	1.1
211.08711	1.3
211.12308	3.3
212.10828	9.6
213.10239	0.7
222.09369	0.4
223.08687	1.2
224.09380	9.1
225.10231	0.5
226.10994	0.8
229.13451	0.4
238.10954	0.4
239.11804	22.3
240.12422	0.5
241.13399	2.4
243.11414	0.6
254.10501	1.2
256.08401	0.4
257.12717	0.6
267.11307	59.3
268.11661	1.0
270.09940	0.5
271.10715	0.5
272.11423	1.1
285.12357	100.0
286.12674	1.2
286.17471	0.4
290.10208	0.9
303.13409	30.3
308.11417	1.9
321.14462	1.4
326.12314	4.0
412.27289	0.4
429.16650	0.5
447.17468	1.0
465.19208	0.6
483.16812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.0
57.03441	6.0
57.07087	6.6
59.86015	0.7
60.95461	0.7
66.26260	0.7
67.05498	3.5
69.06725	1.3
69.07071	19.8
70.63652	2.4
71.08630	5.2
76.53598	0.8
79.05483	1.1
81.07055	3.5
83.08624	17.6
84.17632	0.7
85.10172	1.7
92.62024	0.7
93.07040	2.3
95.08601	2.5
97.06545	1.6
97.10179	11.4
98.98468	9.5
107.08591	2.2
109.10129	1.3
111.11710	2.9
121.10138	2.1
122.69576	0.7
135.09439	0.7
135.11693	1.8
149.13251	0.8
155.01051	5.6
173.02068	1.4
286.08505	0.8
294.33566	0.9
311.25815	100.0
312.26166	1.7
321.30865	0.7
447.25241	3.8
500.28482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46198	0.2
53.03939	0.3
57.03416	0.3
61.02868	0.3
69.03437	1.0
69.49292	1.8
81.03403	0.4
81.07027	0.3
85.02896	1.8
86.09683	0.3
91.05453	0.5
94.06543	0.4
97.02860	0.9
109.02854	0.5
109.07156	0.2
111.04437	0.3
113.03445	0.3
120.08068	0.7
122.06039	0.3
124.07587	0.3
127.03896	0.5
130.06450	0.3
137.05934	0.4
144.07977	0.2
145.04964	0.4
147.04430	0.5
151.03886	0.4
152.04384	0.3
153.12643	0.5
164.07013	0.7
166.06566	0.4
168.08183	0.3
169.08858	0.6
170.08313	0.4
181.07568	0.7
182.08397	0.9
183.09111	0.7
184.07452	1.2
184.11201	0.8
193.07625	0.3
194.09691	0.2
195.09161	2.0
196.09950	10.3
196.11749	0.5
197.08450	0.3
197.10638	0.3
207.14014	0.2
209.07010	0.5
209.10808	0.4
210.07887	1.1
210.11504	0.6
211.08711	1.9
211.12279	4.0
212.10794	10.2
213.10118	1.1
215.11534	0.2
223.08644	1.4
223.12206	0.5
224.09415	7.2
225.10118	0.7
226.10944	0.9
229.13503	0.4
230.11679	0.2
238.10991	0.4
239.07942	0.6
239.11789	22.6
240.12289	0.6
241.09590	0.3
241.13353	2.3
243.11195	0.3
254.10527	1.8
256.08386	0.6
257.12775	0.5
267.11279	51.2
268.11533	0.9
270.09985	0.5
271.10666	0.4
272.11411	1.3
285.12326	100.0
286.12701	1.8
303.13385	24.4
304.13742	0.3
321.14236	1.1
447.17276	0.3
483.14880	0.7
484.14267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01637	1.1
55.01858	4.3
55.05510	4.4
56.96557	1.0
57.03440	5.3
57.07066	1.8
61.02928	4.1
65.03926	1.2
65.92747	0.8
67.05508	5.6
69.03437	4.8
69.06715	1.8
69.07067	23.8
69.53988	0.8
69.54304	7.5
70.06598	1.0
71.04993	2.9
77.33422	0.9
79.05489	12.1
81.03411	6.5
81.07058	6.7
83.04990	2.7
83.08623	1.1
85.02914	6.2
85.06551	2.7
86.09736	0.9
87.08094	1.1
89.03927	3.1
91.03970	2.1
91.05475	7.5
93.07050	3.3
94.06545	1.0
95.04972	3.3
95.08620	3.4
97.02904	2.5
97.06528	88.3
97.10150	1.3
98.97655	1.0
99.04446	1.4
103.05459	1.0
105.07027	5.1
107.04948	3.1
107.08607	3.0
109.02896	2.9
109.06506	1.4
109.10162	2.4
111.04450	1.3
111.08100	2.8
116.98613	1.2
117.03378	2.7
117.07021	2.1
119.04947	3.0
119.08538	5.2
121.06528	1.2
121.10158	2.5
122.06037	2.0
123.04433	1.4
123.11701	1.8
125.05982	1.2
127.03929	2.0
129.09143	2.4
131.08542	1.9
133.02844	2.6
133.06502	2.2
133.10118	1.6
135.04410	6.9
135.08022	1.0
135.11708	1.1
136.07558	0.9
137.05983	9.8
137.09634	1.7
138.06352	1.8
139.03931	1.1
139.11105	1.2
145.02864	5.9
145.06540	1.0
145.10129	1.6
147.04495	2.1
147.11725	2.5
157.06480	1.4
157.10144	2.0
159.04414	8.7
159.08054	2.6
159.10106	2.0
159.11635	1.0
161.02332	29.2
161.05896	1.1
161.57811	0.9
162.03017	1.0
163.03902	56.2
164.07050	2.2
171.11618	1.5
173.02347	57.9
173.05951	1.7
175.11200	2.6
175.14838	1.1
177.05530	1.3
177.07802	1.4
185.06003	3.4
186.03166	0.9
187.07608	1.4
191.03409	2.2
193.12381	0.9
197.06006	1.2
199.07536	1.2
210.62366	1.1
215.07021	90.4
216.07454	2.0
217.12192	7.9
217.15547	1.1
219.62724	1.0
223.07565	0.9
225.20186	1.0
233.08260	1.9
235.13322	7.4
237.37558	1.1
241.08620	15.7
247.07613	2.0
250.28287	0.9
259.09668	24.1
273.11209	13.4
274.18112	1.1
275.07034	2.3
291.12262	100.0
292.12634	1.7
302.17621	1.0
320.18625	1.9
321.07846	1.4
321.19012	1.2
353.19138	1.0
364.21152	1.0
375.20654	2.0
383.71329	1.3
384.21301	2.9
394.22260	1.5
438.24796	1.2
465.19891	4.7
474.16135	2.0
474.67010	1.5
482.75986	1.6
483.21790	6.1
483.66855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.9
55.05501	6.2
57.03431	4.7
61.02922	2.1
67.05501	6.4
69.03429	5.2
69.07072	24.1
69.54128	8.6
69.54536	2.1
71.04984	3.4
79.05489	13.3
81.03416	8.3
81.07062	8.9
83.04990	2.8
85.02919	6.8
85.06528	2.9
89.03915	3.9
91.03968	1.5
91.05477	9.5
93.07045	4.7
95.04974	4.0
95.08591	5.3
97.02917	3.6
97.06534	88.0
105.07027	6.9
107.04918	1.8
107.08584	3.7
109.02870	3.4
109.06522	2.5
109.10147	3.9
111.08082	4.4
116.98614	1.8
117.03399	4.3
117.07047	1.7
119.04959	2.5
119.08569	5.3
121.06501	2.1
121.10156	4.1
122.06026	1.5
127.03908	3.6
129.06998	1.5
129.09105	2.6
131.08592	3.4
133.02846	2.9
133.06483	3.2
133.10139	2.8
135.04431	9.1
135.11656	1.9
137.05980	9.5
137.09633	2.7
138.06308	2.9
145.02878	5.1
147.04478	2.6
147.07974	1.8
147.11668	3.2
149.05891	1.6
149.09564	1.7
149.13278	2.0
151.03978	1.7
157.10089	2.5
159.04411	8.2
159.08080	1.7
159.10193	2.0
159.11687	2.4
161.02332	24.4
163.03917	54.7
163.05231	3.2
173.02357	59.9
175.11095	2.6
177.07828	2.4
184.07478	2.1
185.05975	4.3
187.03894	1.5
187.07579	2.5
191.03415	5.0
193.12119	1.4
197.06090	2.7
213.09163	1.9
215.07027	85.8
217.12270	7.2
217.15790	2.4
235.13315	8.9
241.08606	13.5
247.07582	1.9
259.09683	31.8
261.38589	1.8
268.06616	1.6
273.11234	20.4
275.07013	2.6
291.12268	100.0
321.07706	2.7
346.16473	1.7
353.19305	3.4
375.20663	3.3
384.21078	3.9
394.22180	2.4
451.73849	1.9
465.19479	2.6
483.19522	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01872	2.9
55.05510	5.1
56.17258	1.6
56.96563	2.2
57.03434	5.4
61.02926	7.0
65.03938	1.2
66.30730	1.5
66.43989	1.2
67.05492	7.0
69.03422	6.1
69.07070	24.3
69.97256	8.4
70.06593	2.4
71.04984	4.1
72.93785	2.3
73.02907	1.9
73.86512	1.3
79.05497	15.1
79.50817	1.4
80.02018	1.5
81.03403	6.9
81.07071	8.3
83.04987	4.0
83.08642	1.8
85.02911	10.9
85.06542	3.6
86.09719	1.8
89.03916	4.3
91.03944	4.7
91.05478	7.3
92.05809	1.5
93.07064	6.7
94.06532	1.4
95.04966	5.5
95.08612	3.9
97.02905	6.7
97.06533	87.2
97.10155	3.1
98.97611	1.7
99.23845	1.4
105.03335	1.7
105.07013	11.9
106.07353	1.5
107.04938	3.4
107.08590	5.1
109.02888	4.0
109.06546	2.4
109.10135	4.9
111.08066	4.0
117.03367	3.1
117.07002	2.2
117.92304	1.5
119.04966	2.7
119.08592	4.8
121.06526	2.1
121.10160	3.9
122.06020	2.5
123.11720	1.4
124.07586	2.1
127.03916	5.6
129.05515	1.6
129.07069	1.6
129.09065	3.3
129.62741	1.3
131.04871	1.3
131.08517	3.4
132.95848	2.3
133.02911	2.1
133.06468	1.9
133.10147	4.3
135.04460	10.3
135.11734	1.5
136.07578	2.2
137.05984	8.1
137.09608	2.3
138.06296	2.0
139.11186	1.8
141.06937	1.4
143.08598	2.2
145.02856	6.1
145.04973	1.6
145.10135	3.0
147.04373	3.7
147.11711	2.5
149.09650	3.2
150.96887	3.7
152.07080	1.8
158.97371	4.3
159.04431	9.8
159.08154	1.8
159.11714	3.2
161.02348	25.6
161.09589	1.7
161.13316	1.5
163.02538	2.6
163.03917	54.4
163.11128	2.2
164.07062	6.8
173.02354	49.3
173.03854	2.9
173.09529	1.6
175.11189	2.0
175.14912	1.7
176.98450	3.2
177.05406	3.0
177.07898	2.2
180.63213	1.3
183.08145	1.4
185.06027	4.4
187.07570	2.7
187.11263	2.0
191.03412	4.0
191.14311	2.7
195.01068	5.8
207.02805	1.4
211.12753	1.4
215.07039	81.6
216.98024	1.9
217.15807	1.7
219.01280	1.9
231.08063	1.9
234.07687	1.9
234.99020	9.5
241.08577	14.5
247.07599	6.6
258.00513	1.7
259.09668	26.6
273.11267	13.6
275.07132	7.6
291.12268	100.0
302.17303	2.3
303.13123	2.2
320.18631	2.8
321.07565	5.6
321.19070	1.5
329.17508	1.7
339.05295	25.2
340.05545	1.9
362.20117	2.1
375.21060	1.7
381.06372	8.8
384.21405	3.9
384.71469	1.7
392.72272	1.8
394.22223	3.3
395.22522	2.1
411.24826	1.4
451.74084	2.3
465.13892	1.8
473.74957	2.3
474.25876	2.0
483.22333	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	482.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
57.07077	66.4
60.30059	2.9
69.07066	3.3
71.08630	65.3
71.58311	5.4
73.06570	6.5
83.08643	3.8
85.10180	38.7
89.06032	100.0
89.06561	6.1
97.10143	3.2
99.11734	9.0
107.07095	3.9
113.13284	4.3
127.14803	6.1
130.08621	5.5
133.08603	59.1
177.11214	22.9
203.81430	3.1
221.13893	4.0
222.80211	2.8
271.26324	7.4
283.17508	35.2
294.66721	3.0
310.31055	4.9
315.29041	3.7
465.37921	41.5
502.19238	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	483.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93009	0.4
52.23853	0.3
53.03942	0.6
55.01862	1.0
55.05482	0.7
57.03419	1.1
61.02909	1.3
64.07814	0.4
65.03887	0.3
65.12621	0.3
66.58978	0.3
67.05497	0.8
68.44914	0.3
69.03077	0.4
69.03425	4.1
69.07062	0.6
69.49334	1.5
69.49763	1.5
70.06583	0.9
71.04984	0.8
73.02913	0.5
79.05482	1.0
81.03419	3.4
81.07030	1.4
82.07392	0.4
83.04977	0.8
83.08612	0.6
85.02903	10.3
86.09724	0.6
87.00806	0.7
91.03934	0.6
91.05465	1.5
92.97028	0.3
93.07023	1.3
95.04947	1.2
95.08604	0.9
97.02898	3.3
97.06543	0.7
99.04439	0.7
101.28127	0.3
105.01880	0.8
105.07026	1.1
107.08572	0.7
109.02869	1.4
109.06532	0.6
111.04427	0.5
111.08086	0.4
112.05225	0.4
117.07032	0.5
119.08556	1.0
120.08099	0.5
121.10141	0.6
123.11750	0.5
127.03915	3.2
128.06180	0.7
135.11716	0.4
136.07574	0.5
137.05974	1.4
145.04987	1.8
145.10199	0.4
147.04379	0.5
149.09563	0.3
157.10139	0.4
159.11659	0.5
161.11482	0.4
163.05846	0.3
164.07050	0.7
165.06874	0.3
165.09201	0.4
177.05632	0.4
187.11110	0.4
189.07010	0.6
190.07797	1.3
191.08545	8.8
193.12206	0.7
199.14975	0.4
201.07079	1.0
202.07770	1.8
203.08545	2.6
205.06516	1.1
211.15196	0.5
215.08572	0.3
218.07283	2.6
219.08063	10.7
221.09631	1.2
229.07780	0.5
230.07297	0.4
231.05676	0.7
231.08051	12.0
233.05843	0.5
233.09671	0.7
236.53993	0.4
243.08214	0.6
246.06888	0.5
247.07550	46.9
248.07915	1.0
249.09120	3.0
259.07581	1.4
267.15881	0.4
271.07516	0.9
275.07025	100.0
276.07404	2.0
277.08749	0.6
285.12274	0.4
285.17090	0.5
286.17346	1.5
303.06580	0.7
303.09958	0.5
303.13358	0.4
321.07593	9.4
321.11215	2.7
451.73837	0.5
482.34415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.05026	1.0
57.03429	0.7
57.07078	3.2
58.06600	1.3
60.08165	16.8
67.05493	1.1
67.37558	0.3
69.07065	1.2
69.95159	1.5
69.95575	0.7
71.07383	5.9
71.08640	1.9
79.05477	0.8
81.07053	1.2
83.08603	0.7
85.10188	0.7
86.09708	47.8
95.08624	1.5
96.64779	0.4
98.98461	3.1
104.10748	96.6
105.11018	0.5
105.98799	0.4
109.10144	1.0
125.00007	23.7
128.01741	0.4
137.05910	0.5
141.61008	0.4
143.01097	0.5
144.02866	0.4
163.01587	0.9
184.07346	100.0
185.07704	0.8
258.10977	1.0
299.25793	2.2
327.45416	0.5
431.60120	0.5
464.31378	9.3
482.32462	40.7
483.32541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.5
57.03431	0.6
57.07054	0.4
60.08161	5.4
67.05497	0.9
69.03411	0.7
69.07066	0.6
70.71750	0.8
71.07376	2.3
71.08642	0.4
79.05485	0.4
81.03402	0.5
81.07056	0.9
81.50286	0.3
83.08609	0.4
85.27155	0.3
86.09707	27.3
86.16252	0.3
95.08598	1.0
98.98458	2.3
104.10758	2.9
105.07002	0.5
107.08548	0.3
115.61949	0.3
121.08043	0.3
125.00009	17.7
127.03905	0.5
138.29959	0.3
150.23856	0.3
155.04207	0.3
170.09770	0.3
184.07341	100.0
185.07693	0.4
266.39844	0.3
464.31259	2.1
482.32385	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	482.3245
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05503	3.0
57.03430	3.9
57.07078	29.6
62.06089	24.5
67.05510	3.6
69.07070	4.7
70.72617	0.7
71.08633	25.8
71.19755	1.7
72.04500	1.0
81.07056	4.9
83.08641	3.8
85.09707	1.3
85.10183	15.2
87.04458	0.8
89.06036	19.2
95.08608	8.6
97.10165	4.6
98.98468	5.9
99.11722	1.5
107.07051	1.0
109.10156	3.7
111.11707	1.0
111.85791	0.7
113.13314	1.4
123.11703	1.3
124.01611	1.2
127.14861	0.7
133.08606	11.8
137.13226	0.9
142.02667	1.6
155.01038	5.7
173.02061	0.9
177.11188	4.1
181.42935	0.7
184.16368	0.7
198.05301	1.7
216.06360	3.2
233.43629	0.9
239.14909	1.0
271.26358	1.2
283.17502	7.5
297.19247	0.7
310.31003	12.8
341.30505	100.0
342.30817	2.5
420.50952	1.0
421.27200	5.8
464.31366	5.8
465.37921	9.9
482.32544	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03848	1.3
53.04079	1.0
55.01778	1.4
55.05407	5.4
55.05706	1.7
57.03334	5.0
57.03646	1.5
61.02810	4.0
67.05389	8.0
67.05775	1.5
69.03313	4.8
69.03715	0.9
69.06958	3.6
69.07365	1.2
70.06482	1.6
71.04880	2.6
71.05303	1.0
71.58194	0.8
73.02831	1.2
73.03178	0.6
77.03822	0.6
79.05370	10.2
79.05888	1.7
81.03294	40.7
81.03824	5.0
81.06933	12.0
81.07447	1.4
83.04861	7.7
83.05392	0.8
83.08495	15.6
83.09041	1.7
85.02779	16.6
85.03347	1.9
85.06432	1.4
86.09628	1.0
87.04350	0.8
91.03836	2.1
91.05354	13.2
93.06916	6.7
95.04842	14.9
95.05485	1.3
95.08475	4.5
97.02764	6.5
97.06396	2.8
97.10040	2.2
98.03106	0.6
98.66434	0.5
98.97491	0.8
99.04347	1.1
99.07982	0.8
103.03849	0.8
105.06897	10.6
107.04937	4.3
107.08456	5.4
109.02767	1.2
109.06505	2.9
109.10014	1.5
111.04311	1.9
111.07949	7.2
113.05909	1.1
115.03826	1.0
115.05323	0.9
116.98486	0.6
117.06902	1.4
119.04857	0.7
119.08573	9.0
121.06387	0.6
121.10146	4.9
123.04326	1.1
123.07950	0.9
123.11633	1.2
125.09624	2.8
126.09917	0.8
127.03921	2.7
128.98416	0.6
129.07004	4.9
131.08553	6.4
133.06383	1.5
133.10130	6.1
135.11578	1.7
137.05843	1.9
137.09512	1.4
142.07729	1.5
145.04884	1.5
145.10043	0.9
147.07925	2.2
147.11676	10.4
149.01114	0.9
149.09615	3.9
151.07486	1.0
151.11043	1.1
153.12732	3.8
154.08469	0.9
157.10110	10.2
163.11058	1.2
164.07005	0.6
165.12737	2.8
166.08531	0.7
171.13849	0.5
175.09784	0.9
175.11168	11.7
177.00659	0.7
177.05383	0.9
177.12680	0.6
184.07190	0.7
191.08434	1.2
192.08861	0.7
192.16541	0.6
193.12238	44.6
196.88599	0.6
211.13293	36.5
215.06926	1.7
218.06953	0.7
219.07855	1.0
231.08061	0.8
232.08075	0.7
241.40607	0.5
243.08855	0.8
245.03595	1.0
245.05984	15.0
246.06310	26.9
247.07446	2.9
248.07796	1.2
267.15912	14.6
273.05447	43.3
274.05783	100.0
275.06519	9.0
276.07330	2.5
285.16962	96.2
286.17215	1.5
287.05621	0.7
291.06564	1.2
292.06915	1.4
302.05270	0.9
319.06000	11.2
320.06335	29.6
321.06741	2.9
380.12375	0.6
429.21799	1.1
451.24203	0.9
473.24817	0.7
482.20190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75242	0.8
53.03927	1.8
55.01860	1.3
55.05500	5.2
56.05025	1.4
56.18289	1.0
57.03421	6.2
59.05003	1.0
61.02929	4.7
67.05503	9.3
69.03428	5.4
69.07063	4.2
70.06577	2.8
70.51826	3.7
70.52184	1.2
71.04987	2.6
73.02901	2.4
79.05498	9.3
80.99442	1.0
81.03421	29.5
81.07053	9.0
82.06571	1.5
83.04981	6.5
83.08617	9.6
83.74477	1.0
84.04494	1.4
84.08138	1.2
85.02906	17.4
86.09708	11.5
87.04475	1.2
87.10015	1.5
91.03949	2.8
91.05480	10.9
93.07053	7.1
95.04977	13.3
95.08604	3.0
97.02880	5.9
97.06532	4.1
97.10180	1.4
99.04444	2.5
102.17066	0.9
103.03931	1.3
104.10742	8.9
105.07021	9.6
107.04958	3.6
107.08579	3.7
109.02888	3.1
109.06521	3.2
109.10128	1.1
110.07108	1.1
111.04453	1.6
111.08089	5.9
113.06022	1.0
117.07053	1.2
119.08600	6.2
120.08090	2.7
121.06487	1.9
121.08391	1.2
121.10130	6.0
123.04398	1.4
124.07593	1.8
125.00022	2.3
125.09630	1.9
127.03909	6.7
129.07010	4.2
131.08551	4.4
133.06494	2.0
133.10152	4.8
135.08084	1.6
137.02266	0.9
137.05963	3.1
141.25780	1.0
142.07761	1.4
145.02884	1.2
145.04962	2.1
147.08017	1.9
147.11682	6.6
149.06018	1.3
149.09615	1.9
151.03868	1.2
157.10133	5.6
163.11200	1.0
164.07071	1.9
164.82690	1.1
165.12724	1.7
166.08681	1.8
175.11197	8.3
176.07106	2.2
177.05472	2.5
177.07739	1.6
180.06706	1.0
184.07391	7.2
187.07599	1.3
189.09119	1.5
193.12247	28.5
204.06754	1.1
204.10217	1.0
211.13301	22.5
235.09671	2.1
247.07507	1.4
267.15933	9.2
275.06998	1.9
285.16971	100.0
286.17368	2.4
299.14224	2.3
302.17432	2.1
320.06250	1.6
320.18616	2.1
348.19965	3.4
355.09866	1.1
370.21454	1.6
429.21957	2.8
450.22549	2.9
451.23975	7.1
451.73962	2.1
453.15128	1.2
473.25040	3.6
482.17059	2.0
482.27103	1.7
497.90012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2516
Annotation	19,20-Epoxydeacetylcytochalasin Q
Peak:m/z	Relative Intensity
55.05505	1.6
56.05032	0.7
56.96553	0.7
57.03429	1.0
58.06604	1.1
58.57145	0.5
60.08165	17.3
61.02917	0.8
67.05505	3.1
69.03438	0.9
69.07059	1.3
70.06593	0.5
71.04992	0.7
71.07375	5.9
71.13272	0.9
79.05495	2.2
81.03400	1.6
81.07059	5.7
83.04960	0.6
83.08610	0.7
85.02914	1.5
86.09706	44.6
91.03932	0.6
91.05467	3.3
93.07050	1.5
94.06576	1.3
95.04973	1.0
95.08595	1.5
96.08104	0.5
97.02890	0.9
97.06519	1.1
97.10197	0.5
98.97588	0.7
98.98466	2.9
104.10745	100.0
105.07038	2.4
105.11096	0.7
107.04975	0.5
107.08595	1.7
108.18932	0.4
109.02892	0.6
109.06552	0.8
110.09677	0.8
119.04939	0.6
119.08582	2.1
121.06509	0.5
121.10162	1.1
122.06051	2.7
123.11681	0.9
125.00007	27.0
127.03925	0.8
131.08563	0.9
133.10141	0.9
137.05988	2.1
138.09125	0.8
143.01088	0.8
146.99654	0.5
147.04407	0.6
147.08061	0.5
147.11722	2.8
149.09537	0.5
165.12747	0.6
166.08681	0.6
175.11212	0.5
181.02646	0.5
184.07343	90.4
185.07664	0.5
202.11002	0.8
210.62257	0.7
258.11035	1.2
299.18597	0.7
341.15640	0.6
383.71237	0.6
464.24054	8.0
465.65942	4.2
466.16299	1.3
481.67639	0.6
482.25150	38.1
483.25552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.7
55.01841	1.1
55.05457	2.3
55.05698	0.7
57.03415	1.4
61.02873	2.9
67.05508	3.6
69.03426	4.1
69.07021	2.4
70.06540	2.2
70.84291	1.5
70.84662	1.1
71.04948	1.3
73.02879	1.3
79.05445	2.0
81.03410	3.6
81.07059	3.2
81.64969	0.7
83.04950	0.9
83.08595	1.0
85.02892	5.9
85.06526	0.9
86.03198	1.1
86.09678	0.7
91.03961	3.2
91.05492	3.7
93.07038	3.3
94.07380	0.6
95.04905	2.0
95.08594	5.9
97.02901	5.0
97.06541	0.8
97.10130	1.4
98.06020	1.5
99.04422	1.3
105.07020	5.1
107.04908	1.0
107.08541	2.5
109.02829	2.3
109.06461	0.9
109.10159	6.9
111.07975	0.7
117.06986	1.1
119.07824	0.9
119.08578	11.8
120.08077	1.2
121.10081	2.0
122.05975	1.1
123.08041	1.4
123.08860	0.6
123.11720	0.9
126.91975	0.6
127.03924	3.4
131.08522	1.7
133.10132	13.3
135.11632	2.7
136.07532	0.6
137.06012	4.2
137.09575	2.3
141.07008	0.9
145.02803	0.9
145.05028	0.7
145.10048	2.4
146.06058	0.9
147.04439	0.8
147.11624	2.5
149.06015	0.8
149.13203	1.3
153.01828	1.4
157.10014	0.9
159.11693	1.2
160.12299	0.6
161.02895	0.9
161.05881	1.2
163.11099	1.0
167.90392	0.7
174.07817	1.6
175.07487	0.7
175.14825	8.7
181.04836	0.9
185.04216	0.8
191.14252	1.1
193.08591	3.2
201.05434	0.8
203.05280	1.5
215.10727	1.0
227.05180	1.3
231.05565	0.7
233.15268	0.7
237.02885	0.9
245.06357	6.4
271.04102	1.0
273.05515	1.6
275.44485	0.8
285.04224	0.9
285.16873	1.1
287.03799	4.5
289.05298	100.0
290.05777	1.0
302.04211	0.7
303.04691	1.5
304.04605	1.4
313.03250	0.8
317.06528	3.5
318.06909	4.4
319.07108	9.1
319.12628	0.9
339.53833	0.7
369.20627	0.8
381.05978	1.8
409.05460	3.6
410.06677	0.9
437.21866	1.1
481.07690	3.9
481.20520	83.1
482.21066	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	481.2049
Annotation	Longicornin A
Peak:m/z	Relative Intensity
51.95717	0.5
53.03937	0.6
55.01907	0.6
55.05521	2.3
57.03441	1.4
57.07085	0.9
59.31807	0.5
61.02929	0.9
63.92048	0.5
67.05519	2.4
69.03451	1.7
69.07076	4.1
71.05008	1.4
71.59277	0.8
73.02937	0.8
79.05515	2.0
80.79581	0.5
81.03433	2.1
81.07056	5.4
83.05025	0.9
83.08649	1.0
84.42446	0.5
85.02934	2.4
85.06542	0.9
86.09718	0.6
91.03971	0.8
91.05505	2.4
93.07062	2.4
95.04975	1.0
95.08605	3.0
97.02916	1.0
97.06583	1.7
97.10172	0.7
99.04487	1.5
105.07027	3.3
107.08615	2.4
108.08154	0.7
109.02906	1.5
109.06508	0.6
109.10202	2.5
110.78877	0.5
111.08126	0.7
117.07085	0.9
119.04984	0.7
119.08593	9.7
121.10169	2.2
122.06061	0.6
123.11703	4.3
127.00070	0.8
127.03964	1.8
128.76263	0.5
131.08638	0.8
133.10135	5.7
135.11729	1.3
137.05972	3.1
138.09123	0.7
147.04413	1.0
147.11708	1.0
149.13405	0.6
159.11729	1.0
159.59583	0.5
161.02992	1.1
164.07101	0.7
166.08586	1.0
175.04640	0.6
175.14848	3.5
177.05527	0.7
185.04222	1.0
187.07532	0.7
203.05342	2.0
215.14355	0.9
227.05347	1.7
233.15254	1.5
245.06337	6.7
271.04294	1.6
287.03802	1.4
289.05316	29.2
305.08475	0.6
369.20612	1.0
377.19626	1.3
391.21823	1.0
395.20410	1.9
400.22141	0.9
419.20361	6.5
437.21530	7.3
463.19406	74.2
464.19931	1.2
481.20465	100.0
482.20844	2.3
483.61075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
53.16616	1.2
55.01871	1.8
55.05512	1.8
57.03431	4.8
61.02925	7.2
65.03954	1.8
67.05512	3.9
69.03428	15.3
69.07070	1.6
70.06799	6.3
71.04988	1.4
73.02898	3.8
81.03423	7.4
81.07058	4.2
84.04500	1.7
85.02907	100.0
86.02389	1.4
86.09735	1.4
91.03936	2.8
91.05508	1.6
93.07040	1.7
95.04972	3.5
96.37251	1.2
96.52486	1.4
97.02892	35.9
98.21471	2.0
99.04473	3.1
103.03948	4.6
108.08134	4.9
109.02885	14.3
110.06007	1.6
115.37857	1.1
119.08566	1.4
122.06010	6.5
125.05999	4.0
126.05509	5.0
126.09179	2.8
127.03918	27.6
136.07564	13.0
137.02307	1.8
140.07068	73.3
145.04965	46.6
150.09140	2.9
152.07082	11.0
154.08644	4.3
163.03897	5.5
163.06013	17.8
164.07066	13.3
178.08641	13.3
182.08136	98.6
183.08542	1.5
183.19360	1.2
187.50510	1.2
206.08136	55.1
217.96938	1.5
218.08145	4.3
236.09248	4.3
237.02861	1.6
248.09158	11.9
261.56277	1.6
266.10336	5.0
269.03162	1.4
283.10944	2.4
284.11331	10.9
301.11942	7.5
302.12366	31.5
303.13031	1.2
319.12946	5.5
391.53519	1.6
398.81271	1.3
481.18039	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	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.15588	1.6
55.05519	13.0
56.43419	1.5
57.03431	4.1
57.07055	5.7
62.06091	26.4
67.05489	6.9
69.07071	17.8
71.08631	2.8
71.59972	1.4
71.60364	3.0
79.05490	2.7
81.07066	8.8
83.08618	7.4
91.70470	1.5
93.07033	5.1
95.08612	9.2
97.10166	6.4
98.06059	2.9
98.98452	5.1
107.08593	6.2
107.77225	1.5
109.10155	3.7
111.08141	2.1
121.10136	4.5
135.11697	3.6
155.01048	5.3
184.07359	5.3
198.05392	2.7
214.51268	1.4
216.06358	2.2
235.45435	1.5
265.25305	4.7
271.02060	1.8
308.29510	39.2
339.28955	100.0
354.03635	1.6
372.92087	1.6
419.25671	5.1
462.29730	5.9
480.30591	3.6
481.14737	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	481.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
53.46768	0.1
55.01870	0.2
55.05512	0.4
57.03432	0.4
61.02927	0.7
64.69018	0.1
67.05502	0.6
69.03428	1.3
69.07072	0.5
70.06590	0.3
70.66899	0.1
71.04996	0.3
73.02914	0.2
76.04002	0.2
79.05487	0.4
81.03416	0.6
81.07059	0.4
83.05001	0.2
83.08617	0.2
85.02906	1.7
86.09698	0.3
91.03963	0.5
91.05479	0.4
93.07070	0.4
95.04953	0.4
95.08605	0.5
97.02893	0.8
97.06538	0.2
97.10136	0.3
99.04452	0.3
100.38183	0.1
105.07056	0.5
107.04996	0.2
107.08591	0.4
109.02886	0.5
109.10184	0.3
113.09568	0.2
115.03947	0.2
115.05445	0.2
119.08538	0.3
120.08120	0.3
121.06487	0.2
121.10211	0.3
122.06016	0.2
123.11725	0.2
124.21925	0.2
125.09619	1.8
127.03915	0.7
131.08569	0.3
133.10114	0.4
135.11682	0.2
137.05997	0.4
142.08670	0.2
143.08597	0.2
145.04971	0.2
145.10146	0.2
146.06032	0.2
147.04320	0.2
147.11633	0.2
151.11125	0.2
153.12730	0.2
164.07008	0.2
173.13263	0.2
174.07866	0.4
175.07632	0.2
189.06889	0.8
191.08487	0.7
193.12311	0.2
217.06517	0.9
218.07300	0.3
219.08011	0.5
221.05942	0.4
231.08102	0.6
235.07443	0.2
237.02878	0.2
245.05977	29.0
246.06413	0.6
247.07500	0.9
247.20682	0.2
257.06061	0.2
265.21634	0.3
273.05450	100.0
274.05817	1.9
275.07016	2.3
275.26248	0.2
282.20905	0.2
283.22733	0.3
289.05338	0.5
291.06497	1.3
301.05127	1.1
303.04861	0.6
317.06445	0.6
318.06961	0.7
319.06006	29.0
320.06287	0.5
374.05640	0.1
391.21631	0.3
463.18988	0.4
473.78793	0.2
481.21121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03945	0.7
53.86625	0.6
55.01859	0.6
55.05274	0.7
55.05516	11.4
56.96563	1.1
57.03438	7.3
57.07087	5.2
60.05844	0.5
67.05509	9.0
69.03387	0.7
69.07073	19.5
71.08636	3.2
77.49695	0.5
79.05492	4.8
81.07060	10.7
83.08624	11.3
85.06523	0.7
85.10181	1.2
86.09723	1.4
91.05477	1.3
93.07057	6.4
95.04953	0.6
95.08613	9.0
97.06521	2.4
97.10181	6.8
98.98502	0.6
107.08609	4.5
109.10164	4.9
111.08061	1.1
111.11730	2.6
121.10148	5.4
123.11687	1.3
125.00027	1.0
125.09658	0.9
135.11684	3.8
149.13261	2.4
149.14415	0.5
152.61777	0.6
163.14777	0.8
169.85092	0.5
184.07365	2.1
216.06302	0.7
221.52312	0.6
226.92642	0.6
229.56415	0.8
265.25391	0.8
267.09164	0.8
308.29520	7.4
317.17926	0.7
339.28967	100.0
340.29227	1.7
343.19138	0.6
347.15799	0.7
456.25858	0.7
480.33679	2.4
505.07645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
56.05029	1.2
57.03435	0.8
58.06612	1.8
60.08168	17.1
62.31404	0.5
67.05505	2.3
69.07078	1.9
70.06600	2.4
70.95119	0.5
71.07378	6.5
71.58346	0.9
71.58710	0.6
73.02917	0.6
79.05489	2.3
81.07061	2.0
83.08626	1.5
86.09707	50.9
93.07040	2.1
95.08633	1.2
97.06535	1.7
98.98466	2.9
104.10748	97.5
104.46484	0.5
107.08617	1.5
109.10158	0.8
119.08633	0.8
121.10148	1.4
125.00012	29.0
132.10156	1.5
135.04515	0.6
135.11694	1.7
147.09418	0.8
163.03912	10.7
163.05219	1.0
184.07347	100.0
207.06561	11.8
243.09015	0.8
258.11154	1.0
261.09900	0.9
300.29037	3.4
372.18063	0.7
394.13306	0.7
418.28592	0.9
462.24045	0.9
462.29828	9.1
480.30917	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2514
Annotation	Fumitremorgin B
Peak:m/z	Relative Intensity
55.01877	2.8
55.05506	5.9
56.96540	1.9
66.04784	1.9
66.37984	2.0
67.05520	13.2
69.03439	2.4
69.07073	21.8
71.58904	3.0
73.02857	1.9
74.38931	1.9
79.05483	11.5
79.07372	1.8
81.03416	28.4
81.07070	12.7
82.03685	1.8
83.04984	7.2
83.08603	3.7
85.02908	4.2
86.09702	3.5
91.03924	2.6
91.05475	23.0
93.07046	18.8
95.04991	9.3
95.08616	14.0
97.06514	2.9
105.07020	10.3
107.04952	36.7
107.05629	3.3
107.08605	10.7
109.10170	7.5
117.07009	7.8
119.04932	3.6
119.08568	12.4
121.06503	5.8
121.10157	6.4
123.04431	3.2
129.07018	3.2
131.08566	8.6
133.06462	5.0
133.10165	4.3
135.04427	4.8
135.08067	6.0
137.05969	36.2
137.09567	4.5
143.08540	3.1
145.10158	7.5
147.04422	7.0
147.08063	3.5
149.06023	4.0
149.09621	36.5
157.10132	5.3
159.11656	5.2
161.05959	6.0
161.09586	2.6
163.07542	2.4
163.11200	2.1
173.05968	4.2
175.07486	2.1
175.11217	3.3
177.12811	2.7
184.07408	6.6
203.10745	4.4
221.11743	2.0
223.13335	3.0
227.10701	2.0
229.12262	6.8
235.13428	2.8
267.09021	2.6
273.18478	7.6
289.08643	3.5
291.19553	100.0
303.15985	2.8
311.10727	4.3
355.69006	2.0
427.24878	4.4
445.21585	10.6
445.26816	2.1
462.23569	2.5
463.22400	21.0
480.25113	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
53.45818	0.3
55.01883	0.9
55.05513	2.0
57.03434	2.2
58.96531	0.3
61.02910	1.7
67.05512	3.7
69.03420	1.1
69.07074	2.5
70.06580	1.6
71.04982	0.8
71.06775	0.7
73.02911	0.8
76.04008	0.5
79.05499	5.9
81.03410	1.0
81.07060	5.8
83.04973	0.9
83.08624	3.0
85.02911	1.8
91.03970	0.9
91.05460	1.8
93.06471	0.7
93.07045	11.0
95.04976	2.5
95.08611	12.6
97.02346	0.4
97.02881	2.5
97.06541	1.7
97.10192	0.4
98.06068	1.8
98.99345	0.3
99.04440	1.1
105.07027	2.1
107.04958	2.5
107.08598	9.7
109.06502	0.7
109.10148	1.4
111.04452	0.6
112.07568	0.4
117.07021	2.6
119.08597	3.3
121.06497	1.8
121.10140	5.1
122.06002	0.6
125.06003	1.4
127.03954	0.9
133.10133	0.9
135.08093	0.8
135.11697	19.6
137.05960	0.7
138.05516	1.1
139.07521	0.6
140.07047	0.4
145.10127	11.4
145.11279	0.6
153.12767	0.4
159.11702	0.5
163.11183	28.9
169.06882	0.4
177.16550	0.5
181.12247	6.4
203.10605	0.4
209.11737	0.5
227.12790	39.3
240.25336	0.5
277.64270	0.4
283.15402	100.0
284.15695	1.1
290.49130	0.4
301.16446	0.9
307.14743	0.4
318.06955	0.5
318.17136	1.0
323.90326	0.4
445.20758	2.0
466.17377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01871	13.7
55.05502	3.2
57.03439	21.7
59.05007	4.3
61.02920	25.3
67.05505	11.2
69.03424	44.9
69.03767	4.3
69.07062	55.1
70.99501	6.5
71.01353	8.6
71.05004	3.2
73.02917	93.1
73.54575	2.6
79.05496	4.0
81.03421	9.7
81.07066	17.9
83.04961	2.8
83.29445	2.8
85.02905	100.0
87.04460	7.5
91.03953	8.8
91.05480	5.2
93.07059	4.8
94.06560	4.7
95.04945	3.0
95.08609	8.4
96.08126	4.4
97.02895	79.3
99.04465	5.9
103.03954	4.9
108.08104	21.0
109.02888	9.9
109.10150	14.7
110.09680	3.6
115.03928	46.9
119.84470	2.5
121.10166	2.8
121.95777	2.6
122.06034	12.8
123.11705	82.4
124.07612	8.1
127.03917	38.5
133.04974	45.2
133.10057	3.7
134.06013	3.0
137.05943	3.3
138.09132	8.2
145.04964	50.7
151.09952	4.3
151.11180	85.6
152.07065	17.8
163.05998	17.8
166.08609	11.8
167.08998	3.2
169.12225	14.1
181.04971	2.3
199.05945	2.7
223.06049	7.5
225.10205	2.9
241.07076	9.6
259.08029	8.9
265.13550	3.9
266.57813	2.4
277.09238	3.0
277.66476	2.4
283.15457	37.1
295.10358	4.4
313.16678	4.0
318.11255	8.9
319.09741	6.7
341.63388	3.7
342.64044	8.1
343.14313	7.7
387.15533	3.8
394.16144	3.8
403.16724	8.3
403.67035	5.0
418.25430	3.3
481.20898	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01863	1.0
55.05501	2.7
57.03434	2.1
58.21162	0.7
61.02913	2.2
67.05508	5.5
69.03423	2.0
69.07052	3.1
70.06585	3.8
71.04963	1.5
71.11449	1.6
72.45203	0.7
73.02911	1.8
73.55849	0.6
79.05505	6.3
81.03403	1.8
81.07063	6.0
83.04962	1.2
83.08619	3.5
85.02893	3.9
91.03953	2.2
91.05470	2.7
93.07051	9.9
94.06557	0.8
95.04956	2.7
95.08060	1.1
95.08606	13.6
97.02878	3.1
97.06524	1.7
98.06084	4.5
98.97562	0.6
99.04433	1.9
101.95748	0.7
105.07029	2.9
107.04944	3.4
107.08596	10.5
109.10135	1.3
111.04438	1.5
116.66338	0.8
116.98682	0.7
117.07013	3.0
119.08559	4.9
120.79142	0.7
121.06501	2.2
121.10152	5.3
122.06039	2.2
125.05994	1.6
127.03899	2.2
129.07022	1.2
130.07829	0.8
130.80956	0.8
133.10101	1.5
135.11699	20.9
137.05986	1.9
137.09602	0.9
138.05449	0.8
145.10124	12.2
147.04367	1.7
163.11188	34.0
181.12221	6.8
184.07318	1.5
192.14665	0.8
209.11703	1.7
214.21149	0.7
227.12793	48.4
237.12770	0.8
239.35320	0.7
241.52028	0.8
274.14438	1.0
282.20602	1.0
283.15411	100.0
284.15952	1.1
301.16589	4.1
306.64862	0.7
318.17035	1.2
336.45639	0.7
392.10693	0.8
394.19150	0.8
436.20230	2.0
480.19189	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
57.03435	19.1
57.07078	2.3
58.90524	1.8
59.04998	5.8
60.04513	1.8
61.02907	2.3
67.05493	6.4
69.03429	71.7
69.06720	3.1
69.07071	42.0
71.04990	2.1
73.02917	2.5
79.05483	2.9
81.03423	2.7
81.07056	11.6
83.08604	2.1
85.02905	57.0
87.04469	58.2
89.94163	1.6
91.05476	2.9
93.07046	2.1
95.04977	3.6
95.08608	4.0
97.02890	87.3
98.97582	1.8
99.04437	2.6
105.07022	2.5
107.10244	1.6
108.08126	1.8
109.10172	6.1
111.04464	2.2
115.03931	94.9
121.10139	2.6
122.06042	8.3
123.11712	47.1
124.07558	1.8
127.03909	7.0
133.04964	100.0
137.05981	3.4
138.09129	2.2
145.04953	6.8
150.07623	2.5
151.11180	45.2
152.07077	8.0
154.08568	1.6
160.03987	5.2
167.84224	1.9
168.35565	2.0
169.12257	6.4
184.07359	1.9
201.12787	2.1
211.08743	2.8
211.12286	2.6
219.13741	5.1
223.06065	1.7
225.10286	7.7
226.10974	3.3
229.12134	2.1
239.08104	5.3
239.11748	11.0
241.07108	3.9
247.13293	8.1
250.09639	2.3
253.09798	2.5
253.13258	4.2
254.10457	8.3
259.08124	5.6
265.14294	5.5
267.11270	4.9
281.12863	5.4
283.15314	10.9
285.12308	4.3
295.10144	3.3
297.12299	2.1
299.13928	7.3
309.12338	15.4
313.16565	4.1
327.13376	52.2
337.81345	1.9
359.16049	10.9
373.52893	1.8
430.17758	1.8
448.18726	6.0
462.27689	2.4
465.16180	3.7
481.17322	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	479.3006
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
51.02382	2.6
51.31950	2.5
51.81152	2.2
52.83979	2.5
53.03942	9.8
55.01871	12.0
55.05298	2.8
55.05515	31.2
57.03444	41.8
57.07067	3.8
59.04977	2.5
61.02909	6.3
65.03963	4.1
67.05507	87.8
69.03430	60.0
69.07066	28.6
71.01358	8.4
71.05006	13.7
73.02907	8.8
75.04498	3.1
79.05060	4.2
79.05496	60.5
81.03423	48.9
81.07058	86.6
83.04989	14.7
83.08632	16.2
85.02901	34.9
85.06550	4.4
86.09702	3.5
87.04466	6.2
90.27150	2.9
91.05484	51.7
93.07047	63.0
95.04978	14.4
95.08608	59.3
97.02885	24.8
97.06526	7.6
97.10155	7.4
99.04448	19.4
99.08109	2.8
101.02380	5.7
103.03941	10.8
103.05446	2.8
105.07037	50.0
105.88816	2.7
107.04947	9.9
107.08594	40.6
109.02886	27.5
109.06536	10.7
109.10161	27.6
111.04441	11.4
111.08096	4.0
115.03928	6.9
115.05436	4.1
117.05556	4.3
117.07026	31.3
118.27747	2.6
119.08579	45.7
121.06509	9.0
121.10139	30.6
123.04439	4.2
123.08060	7.2
123.11701	6.3
125.06033	2.8
125.09614	4.1
127.03906	38.1
128.06255	5.6
129.05482	10.3
129.06987	19.4
131.08580	44.0
133.06490	8.0
133.10121	33.8
135.04489	2.7
135.08057	11.5
135.11681	17.8
137.05974	5.2
137.09613	6.4
137.13269	3.2
141.07022	8.2
142.07755	2.8
143.08562	21.2
145.04944	12.6
145.06532	6.2
145.10126	33.0
147.08041	11.7
147.11687	19.9
149.09624	7.3
149.13255	11.2
155.08562	11.0
157.06461	2.6
157.10150	20.8
159.06723	2.7
159.08072	8.1
159.11691	24.9
161.09671	6.1
161.13235	12.6
163.07643	2.4
163.11246	4.6
163.14877	6.1
165.09189	3.7
167.08521	3.6
169.10141	8.3
171.08086	4.4
171.11743	15.4
173.09750	4.3
173.13203	19.3
175.07542	2.9
175.11221	7.1
175.14847	6.8
177.16359	3.0
181.10124	3.9
183.06512	8.3
183.07977	3.7
183.11694	10.8
184.07437	5.7
185.09642	5.6
185.13298	12.1
187.11200	6.0
187.14777	12.0
189.12769	5.8
191.14232	3.8
191.85278	2.7
195.11713	4.2
197.13301	5.5
199.11140	4.8
199.14842	10.3
201.07578	9.0
201.12930	3.9
201.16467	3.4
203.10696	3.6
205.12259	3.6
209.13243	5.3
210.08342	2.7
213.12875	3.5
223.14853	4.0
225.12801	3.3
229.12137	3.6
239.14131	2.9
243.21114	5.1
259.20642	7.7
261.22220	11.9
271.20642	3.7
273.22107	3.7
285.22098	6.5
297.21960	3.3
299.23795	3.4
301.21707	4.9
303.23160	6.0
315.23178	7.4
327.23230	10.5
335.25815	5.9
339.23352	4.8
341.24860	9.6
345.24292	6.7
351.23151	8.7
357.24655	2.8
359.26062	3.0
369.24261	23.8
387.25281	15.1
389.26816	4.8
405.26428	5.0
415.28479	4.7
419.27930	9.0
425.27081	5.3
431.28033	6.1
443.27982	31.2
449.29089	7.0
461.28961	62.3
479.30078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.4
57.03426	0.2
62.19145	0.2
67.05508	0.4
69.03401	0.5
69.07065	0.3
70.82158	0.6
70.82518	0.3
71.04998	0.3
79.05495	0.3
81.03394	0.4
81.07057	0.8
85.02898	0.8
85.06541	0.3
92.85940	0.2
93.07056	0.5
93.37017	0.2
95.08614	0.7
97.02917	0.3
97.06548	0.3
99.08110	0.2
105.07037	0.7
107.08599	0.6
109.02914	0.5
109.10178	0.7
111.23173	0.3
119.05017	0.3
119.08621	0.3
121.10126	0.7
122.06013	0.4
127.03938	0.6
133.10155	1.0
135.08086	0.3
135.11693	0.4
137.05988	0.5
137.09628	0.8
137.13211	0.2
145.04962	0.3
145.10178	0.3
147.11703	0.5
168.11655	0.3
177.16402	0.6
181.12169	0.2
185.04227	0.4
191.14429	0.3
195.17503	0.8
213.18497	1.5
214.13225	0.3
227.05289	0.4
231.13626	3.0
243.04802	0.3
245.06369	1.1
251.08606	0.5
265.15213	0.5
271.04141	1.2
273.14337	0.3
283.15506	0.3
289.05334	3.0
291.14487	1.5
309.15598	0.4
333.15277	0.4
375.17780	0.4
393.18784	8.3
411.19131	0.5
417.18726	1.1
422.25174	0.3
435.19919	21.9
479.18933	100.0
480.19330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03947	0.6
55.01869	0.9
55.05506	0.5
56.96549	0.3
57.03432	1.5
59.05009	0.3
61.02929	1.9
65.03935	0.6
67.05506	0.9
69.03434	4.5
69.07063	0.3
70.06556	0.4
71.04990	0.5
71.59383	0.3
73.02918	0.7
77.04990	0.2
78.97906	0.2
79.05489	0.8
81.03422	6.3
81.07053	1.1
83.04991	0.4
83.08630	1.2
84.59101	0.3
85.02907	11.3
86.09698	0.4
87.04477	0.4
91.03967	0.8
91.05461	1.2
92.02621	0.9
93.03412	1.1
93.07030	0.6
95.04975	1.4
95.08573	0.5
97.02899	4.2
97.06554	0.4
99.04450	1.0
99.08144	0.3
103.03984	0.3
105.07030	0.9
107.04919	0.4
107.08586	0.9
109.02883	1.5
109.06511	0.4
109.10154	0.6
111.08093	0.6
119.08600	0.8
120.08119	0.5
121.02885	1.0
121.06536	0.3
121.10114	0.4
122.06036	0.7
123.04444	0.3
123.11729	0.5
125.09650	0.2
126.03162	0.5
127.03930	2.9
129.07019	0.5
131.08604	0.4
133.06433	0.3
133.10159	0.4
136.07596	0.8
137.02336	0.3
137.06018	0.5
139.03900	1.0
145.04944	1.8
147.08052	0.2
147.11708	0.5
149.09590	0.4
151.03906	0.7
153.01831	7.3
157.10095	0.6
163.03935	0.4
163.05881	0.3
164.07085	1.0
165.01820	0.7
175.11188	0.8
182.08327	0.3
190.58347	0.2
193.12248	3.9
201.05493	0.6
203.03412	0.5
205.04840	0.2
211.13380	0.5
217.04993	0.8
218.05804	0.6
224.11665	0.2
228.04236	1.1
229.04974	2.4
231.02937	0.5
245.04373	1.5
246.05304	1.7
257.04419	2.1
259.09747	0.3
260.03177	0.3
267.15942	2.9
273.03967	2.3
274.04712	3.2
284.03015	0.5
285.03946	4.5
285.12479	0.3
285.16980	2.5
297.93118	0.2
302.04239	12.1
303.04700	0.4
309.16998	0.5
317.06567	100.0
318.06985	2.0
359.07755	0.3
359.32346	0.2
461.12692	0.3
479.25351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01858	0.7
55.14452	0.4
57.03428	1.1
61.02909	1.4
67.05504	0.8
69.03426	4.9
69.07059	0.5
70.06587	0.7
70.89382	1.3
71.04994	0.5
71.22522	0.4
72.08154	0.8
73.02914	0.7
79.05477	0.6
81.03040	0.4
81.03423	4.2
81.07043	1.1
83.04984	0.6
85.02429	0.7
85.02908	10.9
87.02515	0.4
87.04453	0.4
91.03945	1.0
91.05473	1.0
92.02611	0.7
93.03388	1.0
93.07047	0.7
95.04955	0.7
95.08590	0.7
97.02883	4.1
97.06526	0.5
99.04441	0.9
105.07018	1.1
107.08589	1.0
109.02882	1.9
109.06522	0.4
109.10184	0.9
112.07581	0.4
117.12872	0.4
119.08566	1.7
120.08096	0.4
121.02872	1.0
121.10130	0.9
122.06020	1.1
123.04402	0.4
123.08060	0.4
125.09688	0.5
127.03931	2.3
131.08604	0.4
133.10129	1.0
135.11649	0.5
137.05927	0.9
137.09583	0.6
139.03903	0.7
140.07129	0.5
145.04922	2.2
149.09602	0.6
151.03934	0.7
151.11174	0.6
153.01833	6.7
161.09557	0.6
164.07121	0.6
175.14874	1.0
176.15118	0.8
177.05431	0.4
193.12256	1.0
201.05443	0.9
217.05020	0.7
228.04181	1.1
229.04977	2.6
231.02943	0.5
245.04433	1.3
246.05212	1.3
256.03619	0.5
257.04486	2.3
260.03372	0.6
267.15952	0.7
273.03952	1.3
274.04758	3.6
285.03873	4.1
285.16959	0.9
302.04227	11.5
303.63199	0.5
317.06564	100.0
318.06946	1.4
320.99036	0.4
321.58887	0.4
500.09326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82069	3.8
66.19367	2.9
69.39622	35.0
87.42939	3.2
90.82763	3.8
94.93028	7.8
117.29272	3.2
121.06456	4.8
136.94022	71.8
148.94037	17.9
166.95081	36.4
172.95245	4.2
196.96156	8.6
203.72679	3.2
214.96133	4.0
256.98303	24.0
257.00696	4.9
316.99609	4.6
381.07925	100.0
418.33585	4.1
419.03595	77.6
479.16245	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	479.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
57.03425	0.5
61.02928	6.9
65.03940	0.2
67.05456	0.1
68.97507	0.1
69.03426	1.1
70.01944	0.5
73.02923	1.8
81.03421	0.5
81.07058	0.1
85.02907	5.9
86.09737	0.1
91.03405	0.2
91.03958	3.7
91.05492	0.1
92.02625	0.8
93.03394	1.0
97.02898	3.4
98.21406	0.2
99.04465	0.4
101.02351	0.1
103.03869	0.1
109.02860	0.4
111.00803	0.2
115.03941	0.3
115.37831	0.1
117.06928	0.1
121.02892	0.8
121.10147	0.2
123.04456	0.2
124.05109	0.1
126.03135	0.3
127.03928	1.3
133.06538	0.1
137.02330	0.3
137.05977	0.3
139.03911	0.9
145.04932	0.8
151.03899	0.7
153.01826	6.7
163.03941	0.2
165.01839	0.5
166.08585	0.1
173.05894	0.3
177.05502	0.3
183.02907	0.2
200.04677	0.3
200.12903	0.3
201.05539	0.6
203.03430	0.4
217.04929	0.6
218.05785	0.5
219.02972	0.1
228.04196	1.2
229.04980	3.2
231.02925	0.4
233.04474	0.2
239.84552	0.1
245.04433	1.0
246.05244	1.6
256.03738	0.3
257.04443	2.3
260.03201	0.3
261.07373	0.3
271.06110	0.2
273.03970	1.5
274.04724	3.5
284.03168	0.4
285.03949	4.2
286.04620	0.2
287.02094	0.1
288.06317	0.2
301.03436	0.2
302.04221	11.5
303.04684	0.2
314.04218	0.1
317.06561	100.0
318.06970	1.2
329.06607	0.5
359.07736	0.5
383.07477	0.3
395.07544	0.1
413.08331	0.2
443.09653	0.2
461.10162	0.1
479.11624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.21868	0.7
55.01867	1.0
55.05263	0.9
55.05513	12.4
57.03437	6.5
57.07066	1.7
61.52073	0.5
62.06070	0.9
63.68084	0.5
65.03939	0.8
67.05507	24.0
69.07070	16.2
69.07450	0.8
70.10646	0.7
70.10954	3.2
79.05496	7.2
81.06581	1.3
81.07060	25.1
83.04986	0.8
83.08622	8.8
85.06543	0.8
91.05480	2.9
92.16875	0.6
93.07056	7.0
95.05044	0.7
95.08605	16.9
97.06544	1.0
97.10199	3.0
98.06050	2.5
104.86833	0.7
105.07029	3.5
107.08606	3.1
109.10155	8.0
119.08587	2.9
121.10121	1.8
123.11675	3.1
133.10129	2.6
135.11676	2.2
137.13208	1.1
145.94708	0.6
147.11650	1.8
147.36729	0.6
149.13306	0.7
161.13301	0.9
163.14856	0.7
184.07338	1.5
214.05147	0.7
216.06296	0.8
303.23840	0.7
306.27908	28.4
318.34897	0.8
337.27383	100.0
338.27686	1.9
350.88974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05517	9.0
57.03429	3.8
57.07060	1.2
58.13480	1.3
62.05788	1.8
62.06089	30.7
67.01112	1.3
67.05507	23.7
69.06756	1.7
69.07069	13.6
70.89567	2.1
70.89905	2.6
79.05477	7.2
81.07061	22.1
83.08610	6.0
83.90018	1.3
91.05479	4.6
93.07018	6.6
95.08609	19.1
97.10181	3.0
98.98483	5.3
105.07024	2.4
107.08595	4.2
109.10155	7.8
119.08568	2.2
121.10159	2.6
123.11715	3.4
133.10117	1.9
135.11716	1.4
137.13266	2.5
155.01074	6.5
173.02061	1.7
184.07411	2.6
198.05327	2.1
203.09644	1.4
216.06314	3.4
263.23730	6.4
306.27969	13.1
337.27374	100.0
338.27573	3.6
417.23743	1.7
460.28122	5.6
478.29202	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.7
56.18413	12.0
67.05491	43.9
69.07074	31.5
71.05006	21.2
71.21218	28.6
71.21546	20.0
81.07050	92.0
89.57555	11.5
91.05483	19.5
93.07021	71.7
93.74242	11.5
95.04949	12.5
95.08591	100.0
97.62289	13.5
105.07037	61.4
107.08608	63.3
109.10150	53.5
119.08589	80.2
121.10159	50.9
123.11755	15.2
133.10147	45.4
135.11674	37.2
135.21994	13.1
145.10147	27.9
147.11703	30.9
149.13295	38.5
159.11711	35.1
160.77080	12.8
161.13298	29.1
163.14795	21.7
171.11763	16.3
173.13301	15.1
175.14842	27.3
198.81235	13.3
201.16411	23.4
203.17915	23.5
217.19589	24.1
231.21288	15.4
243.65521	15.1
266.58337	12.8
282.29340	15.2
320.13654	14.3
414.88364	14.9
419.36411	14.7
434.32816	13.5
459.39896	24.8
477.33957	24.1
477.40790	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.93084	0.3
55.01860	0.4
55.05480	0.4
56.96564	0.3
60.04510	0.5
61.02913	0.3
65.03943	2.1
67.05491	0.9
69.03429	2.8
70.06589	1.7
70.13797	0.6
70.14187	1.0
71.04986	0.6
73.02911	0.7
74.06073	0.5
76.03962	0.4
76.07645	0.5
78.70977	0.3
81.03418	5.5
83.04988	0.5
84.04530	0.5
85.02898	3.7
91.05480	1.0
93.03396	0.5
93.07030	0.5
95.04959	1.0
97.02882	1.9
99.04422	0.8
103.05458	0.7
105.07007	0.8
107.04959	0.6
107.08562	0.4
108.02103	1.5
109.02862	2.8
111.04438	3.1
119.04929	0.6
120.08115	1.1
121.02837	0.6
121.06513	4.5
122.06040	0.4
123.04446	2.2
123.56502	0.3
124.07599	0.3
125.05997	2.0
127.03933	2.3
130.41917	0.3
131.04933	2.0
133.10188	0.5
135.04402	0.9
137.05978	11.3
141.05499	2.8
145.04979	0.6
147.04399	0.8
149.05989	5.9
151.03903	100.0
151.04953	4.7
152.04263	1.5
153.05505	0.6
154.08681	0.5
161.13158	0.4
164.07060	1.3
166.08638	64.7
167.08965	1.0
169.04961	4.5
177.00726	0.5
177.05426	0.4
177.09203	0.4
178.08655	0.5
195.10097	0.5
208.09760	0.7
257.82788	0.4
274.10709	1.2
295.08145	5.8
295.11310	0.7
313.09180	3.2
316.08481	0.5
316.12000	1.5
321.08545	0.3
328.13724	0.6
435.17822	0.3
442.14948	2.5
454.11191	0.4
460.16077	1.3
478.17105	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01866	5.6
55.05514	17.5
56.05845	1.9
57.03429	5.1
57.07073	2.1
59.04979	2.1
61.02919	3.3
65.03944	1.7
67.05502	26.0
68.05818	3.7
69.03438	7.1
69.07069	11.9
69.85209	9.6
71.05004	4.2
79.05492	26.0
80.05826	4.1
81.03417	23.3
81.07057	99.3
82.03750	2.8
82.07397	2.7
83.04974	4.5
83.08627	10.8
84.08966	1.9
85.02904	32.0
91.05483	18.0
92.05784	3.6
93.07035	15.6
94.06557	3.1
94.07365	2.2
95.04950	13.2
95.08611	22.8
96.05279	2.3
96.08949	1.8
97.02880	13.1
97.06509	2.9
97.10173	13.4
98.10499	4.1
98.21471	3.2
99.04449	15.1
103.03940	39.4
105.07027	10.8
106.07341	2.5
107.04951	14.0
107.08594	10.1
108.05265	1.5
108.08911	2.1
109.02889	8.3
109.06520	2.4
109.10136	11.1
111.04465	1.6
111.08150	1.7
117.07028	5.6
119.08582	8.8
120.08933	2.6
121.06480	9.6
121.10156	4.5
122.06036	9.7
122.06824	3.2
123.08070	2.5
125.09595	9.8
126.09914	2.1
127.03925	42.7
129.07014	3.9
130.07372	1.5
131.04961	2.4
131.08533	7.5
132.08928	1.8
133.06493	3.5
133.10124	5.7
134.06003	3.6
134.06929	1.9
134.10556	2.4
135.04417	3.5
135.08066	2.5
137.05972	3.2
137.09642	3.2
137.13246	11.7
143.08556	3.6
145.04961	31.1
145.06473	4.5
145.10155	3.6
146.06798	2.6
147.08034	4.3
147.11678	3.3
148.07542	2.7
149.09576	4.2
150.05504	10.3
151.06316	3.2
152.07133	7.4
153.09065	2.9
157.10123	3.6
158.10353	2.1
159.08055	1.5
159.11792	2.0
161.05965	2.1
162.05484	1.9
163.06026	36.0
165.09056	1.9
166.05000	2.8
173.09547	1.7
173.11684	1.7
175.06355	5.8
176.07080	5.1
176.10602	1.7
182.51167	1.6
187.05988	2.8
187.11256	2.2
189.11259	3.1
190.08514	1.6
190.11540	2.5
193.12267	3.3
194.12573	3.5
205.07126	2.2
205.10736	2.5
227.12743	3.5
228.13235	4.2
233.15346	3.1
234.15807	2.9
244.13425	3.8
267.15897	6.2
268.16324	5.7
270.15030	4.8
271.08130	4.3
274.15182	4.1
289.09137	4.3
291.19717	2.2
307.10156	9.9
342.21655	2.8
350.22037	3.4
358.24414	2.4
368.23038	11.9
385.23801	4.0
386.24097	17.0
404.25302	8.6
416.24484	6.7
424.24850	3.8
434.26160	5.2
442.26004	13.3
460.27216	100.0
476.15198	2.0
478.28787	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.8
55.05511	57.1
56.96580	1.6
57.03436	9.3
59.04990	2.2
63.53115	1.3
65.03944	1.8
65.35544	1.3
67.05504	45.9
68.99268	1.3
69.03431	10.2
69.07063	13.7
69.67357	10.6
71.04979	5.2
79.05493	57.2
81.03418	13.5
81.07056	39.0
83.04977	9.1
83.08618	26.8
85.02915	5.9
85.06530	2.8
91.05483	26.2
93.07047	28.6
93.07628	1.8
93.97953	1.5
94.06537	1.4
95.04977	19.4
95.08613	22.6
97.02867	2.6
97.06520	9.1
97.10167	48.0
99.04443	2.8
99.08080	2.2
105.07032	22.5
107.04952	33.2
107.08589	30.2
109.02892	2.2
109.06528	9.1
109.10141	14.9
111.08093	5.1
113.05984	1.8
115.05491	3.1
116.98612	1.4
117.07008	15.2
119.04962	3.6
119.08607	19.0
121.06509	22.7
121.10130	8.3
122.06020	3.9
122.10457	1.5
123.04431	3.1
123.08084	10.5
125.06024	1.9
125.09632	36.6
127.03933	2.8
127.07574	1.5
128.06226	2.6
129.07024	12.2
131.04976	6.6
131.08565	16.3
133.06500	11.4
133.10095	8.7
135.04416	1.9
135.08070	11.5
135.11713	5.9
137.05998	3.5
137.09639	4.4
141.07033	4.9
143.08562	9.6
145.06480	20.9
145.10127	10.9
147.04442	4.3
147.08044	10.4
147.11705	8.6
149.05971	1.6
149.09647	5.3
151.07602	1.8
153.09079	9.0
153.12749	3.2
153.16518	1.4
155.08557	3.8
157.06514	4.9
157.10172	6.5
159.08070	5.0
159.11723	2.8
161.05983	2.9
161.09642	6.4
161.13258	3.1
163.07529	2.7
163.11206	3.6
164.07034	1.7
165.09053	8.8
165.12791	2.0
166.09497	2.1
169.10188	4.9
171.08109	5.9
171.11636	7.8
173.06100	1.5
173.09695	4.5
175.11197	6.8
175.14915	1.7
176.07098	3.2
176.10686	1.9
177.12811	2.5
181.10155	3.1
183.08073	1.7
183.11664	2.3
185.09616	3.5
185.13220	3.7
187.11208	5.1
187.14874	3.2
189.09470	2.7
189.11261	22.6
189.12823	4.6
193.12222	8.3
193.15955	3.1
194.16220	3.0
195.11746	3.4
197.09718	2.2
197.13300	5.3
199.11229	6.6
199.86893	1.6
203.14415	2.1
205.12366	2.7
205.15878	1.7
209.13284	2.2
211.11218	2.6
211.13365	4.6
211.16913	2.7
212.17262	1.9
213.09201	1.5
213.12711	3.4
215.14395	6.4
217.12285	4.3
219.13818	1.9
223.13261	2.5
227.12775	4.8
227.14616	3.1
231.13866	2.2
231.23940	1.5
233.15346	12.0
235.13437	2.1
237.12770	4.5
239.14363	2.1
241.14459	6.4
245.15408	2.7
249.14932	4.3
254.06497	1.5
255.13910	6.0
259.13290	3.1
267.15930	3.2
271.16867	2.7
273.14874	15.8
275.16483	3.9
281.17569	4.5
287.16608	2.1
289.17889	1.9
290.17484	1.9
291.15985	2.7
297.17148	1.9
319.17966	2.4
339.23376	6.7
347.18555	1.8
349.21582	20.5
357.24228	8.2
367.22672	58.5
385.23727	100.0
386.24228	4.3
403.24799	26.9
416.24265	12.8
423.25433	2.4
441.26016	9.0
459.27432	80.5
460.27219	9.7
477.28561	58.2
478.28595	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.0
55.05517	52.0
55.64209	1.5
57.03444	9.0
57.07068	1.4
57.83327	1.3
59.04998	2.8
62.69176	1.3
62.80844	1.4
65.03927	2.1
67.05174	2.4
67.05508	39.7
67.57853	1.1
69.03428	8.7
69.07064	10.5
70.01363	6.8
71.04990	3.0
79.05497	45.5
81.03428	11.9
81.07066	32.7
83.04995	8.7
83.08627	26.6
85.06539	2.1
91.05487	24.6
93.07053	21.9
95.04977	13.3
95.08617	14.8
97.02934	1.5
97.06546	4.2
97.10175	50.7
102.42744	1.3
103.05475	1.9
105.07034	21.5
107.04288	3.0
107.04964	33.5
107.08603	23.4
109.06516	7.5
109.10172	11.6
111.08104	5.0
113.06029	3.1
115.05463	2.2
117.07027	13.4
119.04977	2.8
119.08578	13.0
121.06521	21.5
121.10136	5.1
123.04404	2.2
123.08093	7.8
125.06023	2.0
125.09637	37.0
128.06242	3.0
129.06985	8.6
131.04947	5.5
131.08566	12.5
133.06509	8.8
133.10123	7.4
135.04434	1.6
135.08058	11.2
135.11737	4.9
137.05992	2.5
137.09584	3.0
143.08598	6.8
145.06505	22.3
145.10120	9.5
147.04430	4.0
147.08067	7.3
147.11696	6.2
149.06009	1.9
149.09654	5.2
153.09146	8.3
153.12735	3.5
155.08604	4.8
157.06506	4.5
157.10164	5.4
159.08081	5.2
159.11676	2.4
161.05986	4.0
161.09647	3.1
163.11195	3.9
165.09193	1.9
165.12796	3.1
167.08614	2.1
169.06508	2.1
169.10164	4.3
171.08102	3.4
171.10284	2.2
171.11705	4.9
173.09665	4.3
173.13196	1.8
175.11290	4.1
177.12746	3.6
181.10133	2.4
183.08051	1.9
183.11690	2.5
185.13252	2.1
187.11229	5.0
187.14867	3.3
189.11232	22.5
189.12808	4.1
193.12263	10.7
195.11827	2.2
197.09676	3.8
197.13263	3.3
199.11227	6.2
201.12791	1.8
203.14418	2.4
205.12314	4.7
207.11638	2.5
209.13312	1.8
211.13409	3.9
213.12801	3.3
215.14366	5.3
217.12291	3.7
217.99052	1.5
223.11292	1.9
223.13333	3.0
225.12840	2.1
227.12549	6.7
231.13858	3.1
232.39484	1.7
233.15396	13.1
235.13301	1.8
237.12793	3.5
239.07356	1.6
239.14357	2.4
241.14201	6.7
243.13893	2.2
245.15462	3.1
255.13693	3.0
257.15421	2.6
259.13281	2.4
261.14957	1.4
267.16000	3.4
271.16788	1.8
273.14862	17.3
275.16623	1.7
277.18140	1.7
287.16458	2.1
289.18039	1.7
291.15933	5.0
321.22137	2.3
339.23193	7.4
341.24808	1.6
347.18582	1.6
349.21710	18.1
357.24390	8.4
367.22687	57.8
367.27313	2.8
368.23080	2.6
385.23764	100.0
403.24875	24.2
404.25366	1.8
405.24307	1.8
423.25446	4.2
432.49869	1.5
441.26166	8.0
459.27423	84.0
460.27930	2.7
477.28497	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
55.01884	7.8
55.05511	16.9
56.96563	2.3
57.03445	12.7
57.07079	3.3
60.78532	1.5
61.02919	2.5
65.03932	2.0
67.05166	2.1
67.05510	27.3
69.03431	11.4
69.07070	15.6
70.10098	4.5
71.04987	4.4
73.02911	3.2
79.05068	2.0
79.05500	30.0
81.03425	17.3
81.07061	31.8
82.07390	1.4
83.04980	5.7
83.08636	8.3
85.02901	4.4
85.06535	1.8
91.05488	30.8
93.07047	27.2
95.04971	11.9
95.08607	19.6
97.02917	7.6
97.06533	4.8
97.10152	4.8
98.97587	5.4
99.04456	4.2
99.08112	1.8
103.03941	2.2
103.05460	2.3
105.07032	28.1
107.04960	8.8
107.08609	15.9
109.06514	4.9
109.10172	9.4
111.04440	3.6
111.08122	1.4
115.05455	6.0
116.98629	5.5
117.07027	23.9
119.08589	23.8
121.06528	5.3
121.10145	12.5
123.04409	2.3
123.08080	3.5
123.11715	1.7
125.09618	3.3
127.03901	1.5
128.06221	7.8
129.05498	3.2
129.07004	26.0
130.07817	3.8
131.00163	2.6
131.04933	4.9
131.08588	32.8
133.06508	4.2
133.10138	12.7
134.99670	3.1
135.08083	3.8
135.11722	7.1
137.06006	2.3
141.06982	11.8
142.07837	7.4
143.08569	31.1
144.09341	2.2
145.06471	10.9
145.10135	23.1
147.08075	6.3
147.11676	7.7
149.01227	3.2
149.05995	2.7
149.09621	3.3
149.13283	3.8
153.07018	5.0
154.07802	3.2
155.08557	21.6
156.09393	3.5
157.06499	7.1
157.10139	23.1
158.07245	1.9
158.99655	4.7
159.08046	9.0
159.11707	15.1
161.09636	5.4
161.13242	5.5
163.07510	1.9
163.11217	2.5
165.06970	7.9
166.07790	2.1
167.07278	2.1
167.08578	10.6
168.09332	4.5
169.06468	2.2
169.10135	24.0
170.07347	1.6
171.08060	11.0
171.11710	16.8
173.09595	7.8
173.13235	7.6
175.11188	4.8
175.14867	2.5
177.00682	3.4
177.09189	1.8
177.12747	2.2
179.08598	4.3
181.06590	3.1
181.10127	13.2
182.07300	1.6
182.10904	3.4
183.08043	7.6
183.11693	20.0
184.08801	1.6
185.09659	8.8
185.13272	10.3
187.11230	6.3
187.14861	3.2
189.09099	2.8
189.11206	2.1
191.08534	3.9
193.10153	5.3
193.12036	1.6
195.01808	1.6
195.08101	4.4
195.11736	10.4
196.08858	3.5
197.09694	7.7
197.11690	1.7
197.13274	11.5
199.07536	1.9
199.11229	7.5
199.14874	6.1
201.09174	2.6
201.12744	5.4
203.10793	1.8
205.10320	2.4
207.11786	3.2
209.09650	5.8
209.13329	7.0
211.11179	7.6
211.14813	4.5
213.12776	5.4
213.16351	2.1
215.10776	2.4
215.14359	3.2
219.11786	2.4
221.13257	4.8
222.10454	1.7
223.11279	4.2
223.14833	3.8
225.12782	6.9
225.16402	1.7
227.10646	2.4
227.14450	2.2
237.12738	5.2
237.16489	3.1
239.14349	3.9
241.15894	2.4
243.13916	2.0
248.11763	2.1
255.13821	2.8
257.19110	2.1
259.20541	1.6
263.17780	1.6
265.19720	1.7
269.18869	1.9
271.20752	2.0
276.13010	7.1
277.21725	5.3
283.20468	2.3
293.05270	2.0
295.20584	4.9
297.18896	1.7
297.22150	3.4
299.20193	3.1
301.21802	2.5
307.20575	4.7
311.20129	2.3
313.21738	8.3
315.23206	2.4
321.22159	6.2
325.21710	6.4
327.23209	1.8
337.21616	3.2
339.23282	10.4
343.22717	3.1
349.21539	18.7
355.22723	4.1
357.24411	5.0
359.22189	2.3
361.23718	3.3
367.22739	35.3
369.24252	2.1
373.23660	4.6
375.25208	2.4
385.23709	22.4
387.25601	7.4
399.25409	6.4
403.24789	5.7
411.25320	2.3
413.26825	4.3
417.26340	17.4
423.25339	8.2
429.26392	14.0
441.26401	63.9
442.27066	1.8
459.27457	70.3
460.27792	3.1
477.28525	100.0
478.28897	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.9
57.03451	3.4
62.05780	2.6
62.06089	33.9
62.51833	1.8
67.05505	27.4
67.68401	1.8
69.07081	9.2
70.84126	4.7
79.05495	20.3
81.07066	23.6
83.08641	5.0
84.90319	1.7
91.05477	9.1
91.09823	1.8
93.07035	21.4
95.08608	18.0
98.98478	10.3
101.86378	1.8
105.07027	5.6
107.08588	10.6
109.10159	8.0
119.08582	6.2
121.10122	5.9
123.11694	2.5
131.08582	4.5
133.10155	4.0
135.11691	4.7
142.02670	2.5
147.11670	3.5
155.01038	3.2
159.11729	3.4
161.13364	2.6
173.13303	2.5
175.73190	1.9
198.05305	3.2
216.06354	7.1
243.21115	2.2
246.99625	1.8
261.22195	7.7
304.26337	12.6
305.97559	2.0
335.25790	100.0
336.26102	2.4
415.22330	2.2
458.26498	8.3
476.27585	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	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01882	4.9
55.05263	1.6
55.05513	20.5
55.54977	0.7
57.03447	4.0
57.07071	2.3
59.04989	2.5
61.02934	2.3
67.05505	17.5
69.03429	13.0
69.07064	9.1
69.54907	5.7
70.96574	0.7
71.05003	5.3
73.02917	2.0
79.05493	10.7
81.03425	10.5
81.07062	15.8
83.04984	18.9
83.08620	15.5
85.02905	13.9
85.06540	8.2
87.00835	4.7
87.04480	1.4
91.05461	7.8
93.07049	10.6
93.73071	0.8
94.06606	1.3
95.04962	5.0
95.08611	10.6
97.02887	5.7
97.06512	3.9
97.10170	12.4
99.04465	3.9
99.08104	3.1
101.06006	1.8
105.01848	2.5
105.03411	1.1
105.07034	6.6
107.04974	6.3
107.08599	15.0
109.02868	7.1
109.06519	3.4
109.10156	29.0
111.08090	2.6
113.05970	1.3
115.07620	0.9
117.01851	1.4
117.07052	3.7
119.08570	5.9
120.08145	1.4
121.06544	5.0
121.07255	0.7
121.10143	5.8
122.06036	6.7
123.04416	1.1
123.08086	3.2
123.11710	11.8
125.09631	14.4
127.03912	8.1
127.07590	1.1
127.11187	11.7
127.12032	1.4
129.06979	2.4
131.04942	2.0
131.08577	3.6
133.06464	2.7
133.10152	5.3
135.08028	2.7
135.11711	8.5
137.05983	3.1
137.09636	2.2
138.09090	0.9
143.08556	3.4
145.02808	1.0
145.04955	2.4
145.06511	3.8
145.10091	2.0
147.04425	2.7
147.08049	1.0
147.11638	1.9
149.05981	1.3
149.09602	1.5
149.13263	4.4
151.07553	1.2
151.11153	4.6
151.14850	0.9
153.09146	2.3
153.12752	2.5
155.08588	1.2
157.10094	1.8
159.02968	1.8
159.07976	1.8
161.05920	0.8
161.09576	1.5
164.07089	2.6
165.09108	2.8
166.08673	2.3
167.14333	14.4
169.10146	1.2
169.12241	23.4
171.08037	1.3
171.11723	0.9
173.09566	1.4
173.13223	0.9
174.68883	0.8
175.11163	1.2
175.14781	3.8
181.09998	0.8
185.13194	1.3
185.15378	11.1
187.07520	0.8
187.14806	1.3
189.09169	1.1
189.11221	4.2
189.12770	1.2
191.10728	1.0
193.12242	2.7
193.15891	7.5
195.11789	1.2
199.11232	1.3
209.15283	1.0
211.16939	58.2
213.12891	1.2
214.17973	1.1
215.14313	1.3
227.12737	2.7
229.17998	100.0
230.18420	1.1
233.15401	2.1
235.13307	0.8
237.12807	0.9
253.18016	1.2
255.13809	1.1
267.15994	1.7
273.14828	2.8
291.15939	0.8
339.23279	1.4
340.64297	1.2
349.21622	4.0
367.22708	11.0
385.23676	19.1
401.17020	1.8
403.24774	3.6
416.24176	4.2
441.26419	1.7
459.22250	2.2
459.27579	19.6
460.27097	1.8
477.28995	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
53.68941	0.6
55.05506	7.9
57.03444	5.0
57.07063	0.9
59.96339	0.8
62.06072	1.0
67.05508	27.3
68.73832	0.7
69.07075	6.0
69.90981	1.4
69.91395	3.1
71.04980	0.8
75.87742	0.7
79.05489	13.0
81.06580	1.3
81.07056	24.1
83.08617	2.0
85.05287	1.6
91.05064	0.6
91.05489	6.7
93.07043	14.9
95.04953	2.4
95.08607	19.9
97.06550	1.1
98.06056	6.1
98.98441	0.9
105.07024	4.2
107.08591	6.3
109.10165	6.8
117.07003	1.1
119.08553	2.8
121.10162	5.2
123.11707	0.9
131.08563	2.2
133.10112	1.7
135.11688	2.5
145.10126	1.2
147.11682	1.1
168.13643	0.8
173.13293	0.9
182.03732	0.8
187.14839	0.9
216.06479	0.9
216.72221	0.7
222.18716	1.0
304.26355	62.5
305.26663	1.6
335.25800	100.0
336.26108	1.8
459.35788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01876	1.0
55.05517	6.9
57.03443	6.1
57.07067	1.6
60.76810	0.6
65.03947	0.7
67.05512	29.1
69.06783	0.6
69.07077	6.8
71.05011	0.8
71.08615	0.6
71.55882	0.6
71.56280	1.4
79.05500	15.7
81.03417	0.8
81.07065	30.4
83.04947	1.0
83.08613	3.0
85.06528	0.7
91.05490	10.7
93.07053	21.4
95.04974	3.9
95.08614	20.6
95.49765	0.7
97.06530	2.3
97.10170	2.0
98.06052	1.6
105.07034	6.9
107.04938	1.6
107.08600	11.7
109.06544	1.3
109.10172	5.1
111.08192	0.7
117.07024	5.0
119.04950	0.8
119.08593	5.4
121.06535	1.7
121.10153	7.0
121.64466	0.6
123.04416	0.8
123.08091	1.2
123.11730	2.2
125.09676	1.2
129.07021	1.1
131.08591	6.5
133.10153	3.9
135.08102	1.5
135.11705	4.1
137.05983	4.1
137.13266	1.3
139.11180	0.7
145.06561	0.7
145.10136	4.5
147.08057	2.2
147.11711	2.3
149.09596	1.9
149.13274	2.7
159.08055	1.1
159.11713	2.4
161.13277	1.6
163.14783	1.3
171.11746	0.8
173.13261	1.8
175.14883	1.0
177.16432	1.0
187.14780	0.9
208.96759	0.6
216.06282	0.9
243.21101	1.9
261.22241	2.3
273.18536	1.1
304.26462	6.2
305.21185	6.5
307.06046	0.7
307.46851	0.6
323.22479	0.8
335.25836	100.0
336.26154	0.9
426.26355	1.4
427.24991	1.4
444.27316	3.0
459.27377	1.5
476.30670	6.4
477.28287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01866	2.5
55.05504	5.8
56.96560	2.8
57.03435	5.0
58.79252	1.4
61.02933	2.8
62.06073	4.3
64.44319	1.5
67.05494	4.5
68.05007	1.9
69.03430	15.2
69.07060	3.6
70.06583	4.5
71.01346	1.8
71.04990	6.0
71.08625	6.4
71.39812	2.3
71.40142	2.4
72.08151	1.6
73.02905	4.7
79.05493	5.5
81.03429	10.1
81.07059	10.9
83.04972	2.5
83.08620	2.5
84.04494	2.1
85.02903	34.7
85.06520	2.2
86.06068	35.0
86.09695	3.4
87.04456	2.2
91.05480	5.6
93.07053	4.4
95.04955	3.9
95.08611	3.9
97.02886	9.4
97.06529	4.2
98.09681	4.2
98.97546	3.4
99.04464	7.7
99.08100	6.5
100.11240	3.3
101.02377	4.2
103.03914	7.7
105.07019	9.1
107.04964	5.5
107.08559	8.3
108.08109	3.6
109.02885	10.2
109.06529	10.8
109.10152	3.1
111.04423	2.0
111.08074	5.7
116.10745	10.7
116.98621	2.1
119.08592	4.9
120.08112	2.7
121.06531	1.6
121.10125	1.8
123.08094	3.0
125.09656	2.0
127.03908	19.4
131.08511	2.2
133.06558	1.6
133.10117	12.5
134.09621	2.8
135.04433	1.7
135.08058	4.7
135.11525	1.5
136.07582	3.6
137.05965	10.4
137.09605	5.1
138.09154	2.7
140.07013	1.6
142.12247	5.9
143.10651	9.1
145.04970	7.2
147.04478	2.7
149.05995	1.8
151.11169	1.5
152.10722	2.6
153.05450	1.9
163.03859	2.7
163.06033	6.6
164.07043	2.0
164.42583	1.4
164.68134	1.6
165.09102	9.1
166.09595	2.1
170.11772	8.8
175.14827	3.4
177.05460	2.5
180.10193	3.0
187.34962	1.4
191.14339	4.3
198.11267	100.0
214.18021	2.4
216.12291	4.8
224.02429	1.9
237.02827	2.5
249.03371	2.4
250.09407	2.8
260.12848	2.0
272.07761	4.2
291.12079	2.4
296.18567	9.0
302.17459	1.9
306.07309	1.9
324.14407	3.1
342.15515	4.9
358.11731	1.7
360.16525	37.7
378.17584	58.8
384.22784	2.0
396.86295	1.7
409.15543	2.8
440.23471	2.2
444.12213	2.2
451.16074	3.3
458.23981	22.0
462.06158	1.6
466.88919	1.7
476.18176	15.5
476.25470	23.1
476.32825	2.8
477.13046	3.5
477.18307	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
54.81478	0.8
55.01870	2.2
55.05500	3.8
57.03439	2.0
60.04501	1.4
61.02914	1.9
62.06078	3.2
63.83137	0.9
65.03944	0.9
66.64571	1.0
67.05501	7.2
69.03421	9.7
69.07063	2.3
69.79327	6.3
71.04985	3.1
71.08625	6.5
72.08154	1.2
72.85845	1.0
73.02906	2.9
79.05483	5.4
79.17970	1.0
80.05026	0.9
80.06880	0.9
81.03411	6.5
81.07046	6.1
82.07378	1.3
83.04979	1.3
83.08620	2.1
85.02424	1.3
85.02905	17.4
86.06063	30.2
88.03979	1.3
91.03938	1.4
91.05464	4.6
93.07021	5.0
94.06568	4.8
95.04945	2.3
95.08607	3.2
96.08105	1.8
97.02893	7.2
97.06521	3.3
97.10180	2.4
98.09695	3.7
99.04466	3.2
99.08096	5.3
101.02368	3.3
103.03944	1.1
105.07018	3.3
107.04955	1.8
107.08569	4.4
108.04444	1.0
108.08115	3.9
108.08781	1.0
109.02898	5.7
109.06504	8.7
109.10149	3.0
111.08086	6.3
116.10728	8.9
119.08562	4.4
119.92466	1.1
120.08059	2.0
121.06473	1.8
121.10150	1.9
122.06015	13.6
123.04459	0.9
123.08044	1.3
125.09636	2.0
127.03907	8.4
131.08568	1.7
133.10118	2.3
134.09642	2.4
135.11667	2.6
136.07584	1.4
137.05952	6.3
138.09137	2.3
142.08641	1.2
142.12228	4.0
143.08731	1.0
143.10701	7.1
145.04932	2.6
147.04372	2.2
147.11713	1.6
150.05510	1.1
152.07050	1.4
152.10710	2.3
153.05492	1.2
155.07042	1.2
157.06509	1.1
157.10059	1.5
161.09581	1.5
163.03894	1.0
163.11189	1.6
164.07054	1.2
165.09111	2.9
166.09595	1.1
170.11765	7.2
175.14796	3.8
180.10204	2.5
198.11255	100.0
214.18054	1.3
216.12325	34.4
250.09114	2.6
261.13171	1.5
278.17493	1.3
284.12741	1.5
285.12082	1.0
296.18570	6.0
314.19604	4.2
316.11270	1.0
320.64957	1.0
324.14566	2.4
342.15430	2.0
346.20337	1.1
360.16537	21.4
378.17581	31.8
384.22568	2.4
385.23456	2.0
414.22571	1.3
440.23083	2.3
458.23898	14.9
459.27237	1.1
476.25537	14.1
476.30939	19.8
477.17181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06168	0.3
50.53379	0.3
53.03938	0.6
55.05513	2.1
57.07066	1.6
59.04987	1.1
65.88268	0.3
67.05505	6.0
69.03413	0.7
69.07072	4.6
69.27502	3.2
70.06586	1.0
79.05486	1.0
81.03391	0.5
81.07054	5.1
83.08603	1.2
85.02890	1.3
85.06532	1.1
91.05469	4.5
93.07045	4.0
95.04948	0.5
95.08607	17.3
97.02885	0.7
101.00615	0.4
105.07031	8.1
107.08593	4.6
109.06511	0.6
109.10153	20.6
117.07008	0.8
119.08579	37.6
121.10137	2.5
123.08039	0.8
123.11679	1.0
127.03941	0.6
127.08682	0.4
131.08559	1.0
133.10129	46.0
134.10532	0.6
134.27654	0.3
135.11681	8.8
137.09612	9.4
137.20850	0.4
145.05031	0.3
145.10103	2.5
146.11014	0.4
147.11693	10.4
149.13248	2.9
151.14824	4.1
159.11720	0.6
160.12456	2.2
173.13280	1.2
175.14822	100.0
176.15129	1.3
193.15880	31.5
210.15659	0.5
228.16808	0.5
383.24948	0.4
465.87735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01875	3.0
55.05515	4.0
57.03438	1.9
61.02933	1.7
62.06096	5.1
67.05514	2.7
69.03435	11.3
69.07070	1.3
69.51642	7.0
70.02973	1.1
70.06600	3.0
71.04987	2.9
71.08628	8.4
72.08163	1.7
73.02917	3.3
74.07681	0.8
78.66133	0.8
79.05499	3.6
81.03426	8.4
81.07049	6.5
83.08638	1.3
84.04556	1.1
85.02909	31.0
85.06566	1.4
86.06072	40.5
86.09689	1.6
88.04012	2.4
91.05492	3.2
93.07067	4.5
94.06577	1.1
95.04961	1.7
95.08591	3.5
96.08127	1.8
97.02905	7.0
97.06544	1.9
98.06012	1.1
98.09691	5.6
99.04446	6.6
99.08110	5.7
101.02388	4.6
103.03923	4.1
105.07018	4.6
105.86872	0.9
107.04981	2.5
107.08604	4.8
108.08141	2.0
109.02890	5.8
109.06528	9.7
109.10142	1.7
110.06038	1.1
110.09737	1.0
111.08101	4.8
114.10286	1.0
116.10746	11.5
119.08634	4.9
120.08092	1.1
121.06564	1.6
121.10155	1.6
122.06011	1.3
123.04449	1.1
123.08065	1.1
123.11650	1.1
124.07623	1.4
125.09643	1.1
127.03932	15.8
133.10159	4.5
134.09682	3.0
135.08067	1.2
135.11702	2.6
136.07591	1.9
137.05992	6.2
137.09602	2.0
138.09122	1.3
142.08606	1.4
142.12288	5.6
143.10677	10.4
145.04962	4.4
147.04486	1.6
151.03987	1.2
152.07045	0.9
152.10732	3.6
153.08971	1.0
163.06036	3.2
163.07513	0.9
164.07118	1.3
165.09128	11.2
166.09546	5.6
170.11761	9.1
175.14876	3.8
180.10214	3.5
193.15904	1.4
198.11267	100.0
199.11626	1.1
204.06612	0.9
209.15285	1.3
211.16968	1.5
214.18036	2.7
216.12332	6.1
249.03426	1.2
250.09296	2.4
272.07742	2.0
273.02438	0.9
278.17709	1.7
281.10144	0.9
289.05264	2.2
291.12119	1.7
296.18546	7.6
305.51227	1.0
324.14465	4.9
342.15707	4.0
360.16534	35.1
378.17621	51.0
379.18002	1.4
440.22800	1.8
458.23892	17.9
476.18613	1.1
476.25079	21.4
476.32718	2.5
477.13153	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	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01865	3.2
55.05515	8.0
57.03440	16.5
57.07077	40.9
61.02929	50.2
67.05505	13.3
69.03078	1.5
69.03432	22.7
69.07060	7.9
70.85525	1.7
71.01347	4.0
71.04986	3.8
71.08635	28.2
73.02920	21.9
75.04459	1.5
79.05486	3.2
81.03421	15.4
81.07063	19.7
83.01324	1.0
83.04956	1.8
83.08623	13.8
84.85850	0.9
85.02905	50.0
85.06566	0.9
85.10184	17.8
87.04449	2.3
91.03954	27.5
91.05454	1.7
93.07020	2.5
95.04940	1.7
95.08607	28.0
97.02895	46.1
97.10163	7.5
99.04448	8.3
99.11783	1.0
101.02386	11.5
103.03935	5.8
103.07523	1.1
109.02900	10.2
109.09463	1.2
109.10163	13.6
111.04411	1.6
111.11713	2.3
115.03930	5.7
117.05531	2.3
121.10155	1.0
123.11699	5.9
125.13232	2.9
127.03927	18.2
129.05482	3.2
137.05931	1.2
137.13271	3.3
141.05415	1.1
145.04988	6.7
151.14890	1.1
152.15663	1.0
159.06543	2.7
165.16428	1.1
183.06473	5.5
201.07593	5.1
207.13773	0.9
221.22644	2.9
239.23683	27.5
249.65816	1.0
257.24741	2.9
313.27368	100.0
314.27713	1.6
341.26962	4.2
355.28580	3.0
383.28156	1.8
385.29492	1.4
439.30740	1.1
449.69275	1.1
457.31631	7.4
475.32721	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	475.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.44897	0.6
55.01875	1.5
55.05513	3.5
57.03442	1.1
58.62193	0.6
61.02906	0.5
66.51772	0.7
67.05508	7.6
69.03439	7.9
69.07069	4.0
70.06595	1.1
71.04993	1.4
71.08629	0.7
71.56546	1.1
79.05495	4.0
79.06622	0.6
81.03424	4.3
81.07061	7.6
82.31808	0.5
83.04992	2.6
83.08601	1.4
84.08115	1.1
85.02915	5.9
85.06536	1.1
86.09673	0.7
87.00820	0.8
91.05486	3.0
93.07059	5.1
94.06593	0.7
95.04969	2.4
95.08610	6.7
97.02894	3.3
97.06542	1.6
97.10183	2.0
98.97582	1.3
99.04417	0.9
105.01881	1.8
105.07051	3.4
107.04946	2.4
107.08627	4.3
109.02870	2.5
109.06541	1.4
109.10163	7.2
110.09648	1.6
111.08102	1.0
115.03937	0.5
116.10742	0.5
116.28860	0.5
116.98627	1.5
117.07018	1.2
119.08585	5.6
120.08113	0.9
121.02890	1.2
121.06509	1.4
121.10178	2.9
122.06027	1.9
122.07336	1.1
123.04469	0.6
123.08064	1.7
123.11716	2.1
125.09608	3.5
127.03926	4.5
128.04199	0.7
129.07016	1.3
131.08557	1.7
133.06522	0.9
133.10110	1.5
134.06131	0.5
134.10475	0.7
134.99673	1.0
135.08029	1.9
135.11688	1.7
137.05956	1.8
137.09631	10.6
143.08577	1.4
145.05011	1.3
145.06451	1.0
145.10156	1.9
146.99637	0.7
147.04417	1.1
147.08066	0.6
147.11739	1.0
149.05974	0.6
149.09605	1.9
149.13280	1.2
151.11198	0.9
151.14864	0.8
153.09106	2.3
157.10043	0.5
159.08101	0.9
159.11682	1.1
161.05995	1.0
161.09639	0.9
163.03978	0.8
163.11229	1.2
163.14803	0.7
165.09123	100.0
166.09531	1.0
168.07802	0.6
168.13780	0.6
173.09531	0.7
173.13312	2.0
174.13567	0.9
175.11217	0.7
175.14807	1.5
177.00720	0.7
177.05586	0.6
179.10680	1.1
184.07373	0.8
187.11092	0.8
189.09132	0.6
189.12827	0.8
191.10683	1.1
191.14313	5.3
192.14667	5.9
195.11708	0.6
198.11269	0.6
205.12286	3.6
209.15372	8.9
210.15741	8.4
226.18053	1.5
227.16360	1.1
227.18391	2.2
237.02815	2.9
237.10101	0.7
247.13434	1.0
258.09229	0.9
289.14355	1.2
303.12036	0.7
305.24649	1.2
323.25925	1.6
341.14914	0.7
365.20895	0.7
383.22269	3.1
387.16934	1.3
389.14890	2.3
390.15125	0.6
401.23145	1.2
407.16034	1.8
431.16098	1.5
431.24686	0.7
439.24271	0.6
457.25888	3.2
457.32547	0.9
465.69769	0.6
475.16180	9.2
475.26776	8.5
475.32831	3.1
476.16205	1.3
476.26907	1.3
476.33350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01860	4.5
55.05268	1.7
55.05511	16.4
56.65570	1.2
57.03443	6.5
65.03923	2.3
67.05174	1.5
67.05504	19.8
68.05833	1.2
69.03423	3.0
69.07053	5.7
70.72558	3.1
71.04982	2.5
76.83678	1.1
78.57481	1.0
79.05492	21.3
81.03414	13.2
81.07053	18.3
83.04959	2.8
83.08619	7.5
91.05474	18.5
93.06551	1.5
93.07050	17.4
95.04977	12.0
95.08613	10.4
97.02891	1.2
97.06518	3.6
97.09573	1.9
97.10143	11.8
103.05433	3.3
105.07019	14.2
107.04956	13.3
107.08595	10.8
109.02860	4.7
109.06510	3.9
109.10150	9.9
111.08084	2.5
117.07018	8.5
119.04958	3.4
119.08587	10.2
121.06519	6.9
121.10175	5.8
123.04379	1.7
123.08059	3.6
125.02373	2.8
125.09637	6.9
128.06267	2.2
129.07016	7.5
131.04915	6.5
131.08560	6.8
133.02802	2.2
133.06483	11.2
133.10088	5.5
135.04395	2.3
135.08028	4.7
135.11678	5.7
137.05988	6.2
141.06990	2.4
143.08542	4.7
145.06485	8.0
145.10121	6.4
147.04376	3.0
147.06937	1.2
147.08044	6.2
147.11667	2.5
149.05966	3.2
149.07883	1.6
149.09578	2.8
151.07506	1.7
152.85793	1.2
153.09114	1.4
155.08549	3.9
157.06490	2.8
157.10118	3.0
158.07227	1.6
159.08006	5.6
159.11697	2.9
160.05125	1.9
161.05972	16.1
161.09628	3.3
163.07564	8.2
163.11177	5.6
165.06978	2.0
165.09105	4.4
167.08611	1.9
167.98691	1.3
169.10098	4.0
171.08055	3.4
171.11655	1.6
173.05954	4.0
173.09602	5.6
173.13205	1.3
175.07573	8.9
175.11134	2.8
176.07040	4.5
176.10712	8.7
177.05685	1.4
177.07411	3.8
177.11073	6.2
178.04991	3.3
181.10068	2.4
183.08073	2.6
183.11711	2.3
185.09610	4.2
185.13228	1.8
187.07495	5.4
187.11197	1.5
189.09026	2.2
189.11182	1.8
191.08948	1.6
191.10669	3.0
193.12233	4.2
195.08162	2.0
195.11685	1.8
197.09659	2.4
199.07462	2.0
204.10269	5.9
205.10670	5.6
205.12408	1.5
206.11278	3.7
211.11162	3.0
213.12810	3.1
225.12677	2.0
227.12729	6.9
229.12279	1.6
231.13712	4.1
239.10612	2.1
243.13777	1.6
249.14783	1.7
269.15408	3.3
271.13281	4.0
273.14740	4.1
289.14343	12.6
303.15747	2.3
311.12677	4.5
337.21582	2.0
355.22504	3.8
365.21051	8.9
383.22168	48.8
401.23166	20.9
413.24863	5.2
419.24091	2.9
421.23541	3.9
430.25784	2.4
431.26266	30.0
439.24597	6.2
457.19458	2.2
457.25830	40.2
475.27060	100.0
476.26782	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33687	1.2
55.01863	2.3
55.05509	4.2
57.03415	1.5
61.02935	1.6
67.05520	3.9
69.03430	17.3
69.07063	4.4
70.02580	7.2
70.06595	1.4
71.04987	3.4
78.41845	1.3
79.05499	2.4
81.03406	4.1
81.07069	6.6
83.04976	5.2
83.08603	3.8
85.02909	14.6
85.06578	2.3
86.09702	2.3
87.00824	5.3
91.05476	4.0
93.07062	9.5
95.04957	3.2
95.08619	10.4
97.02913	5.8
97.06532	3.8
97.10153	3.3
98.21368	1.6
99.04443	5.2
99.08092	7.7
105.01890	3.9
105.07031	5.1
107.08595	18.1
108.08135	1.6
109.02881	4.4
109.06527	4.4
109.10160	7.3
111.08090	4.3
119.08573	3.3
121.06515	1.7
121.10140	16.0
123.08047	3.7
123.11757	1.8
125.06025	2.0
125.09637	36.4
127.03918	9.0
131.08586	3.4
133.10126	8.1
135.08069	10.0
135.11720	2.3
135.93855	1.5
137.09608	5.1
139.07547	4.3
145.02870	1.7
145.04953	3.0
145.10216	1.9
147.11705	3.8
149.09625	90.5
149.13246	9.7
150.09885	1.8
151.03944	1.9
151.11185	17.1
153.09100	10.2
154.09885	2.3
154.59708	1.3
158.10883	1.7
159.02911	1.8
161.13075	1.7
163.14842	9.7
165.12798	2.0
166.08511	1.4
166.16920	1.5
167.10728	1.7
173.13300	8.0
177.05511	4.1
180.73740	1.3
191.14317	35.9
192.14465	1.5
200.12805	1.9
209.15379	100.0
210.15836	1.9
227.16434	15.5
243.44257	1.2
298.34262	1.3
306.88605	1.5
355.80963	1.3
362.18335	1.7
443.86533	1.4
457.16296	1.5
470.73380	1.6
475.16403	4.6
475.22916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01868	1.7
55.05510	3.4
56.05038	1.3
57.03434	1.6
58.06600	1.0
59.05003	1.4
60.57752	0.6
61.02916	1.9
67.05495	3.5
67.45699	0.6
68.99787	1.0
69.03436	10.1
69.07068	2.1
70.06238	1.2
70.06596	12.6
71.04993	7.3
71.14352	1.2
73.02905	1.1
74.06069	2.4
79.05486	2.4
81.03423	6.2
81.07075	4.7
83.01337	2.6
83.04993	3.6
83.08624	1.7
84.04496	0.9
84.08131	0.8
85.02419	1.4
85.02905	18.3
85.06533	2.7
86.09704	2.5
87.00832	5.2
87.04469	1.2
91.05489	2.7
93.07060	4.2
95.04983	3.6
95.08617	4.3
96.08088	0.7
97.02894	4.7
97.06525	4.2
98.97596	1.4
99.04452	22.5
99.08088	7.0
101.06005	1.5
103.03953	1.3
103.05489	1.0
105.01853	4.7
105.07048	4.6
107.05047	1.1
107.08605	8.6
109.02880	5.7
109.06537	5.5
109.10151	4.4
110.09691	0.9
111.08074	1.7
113.09657	0.8
115.03928	1.1
115.07592	0.8
116.98621	0.8
119.08589	3.3
120.08106	4.6
121.06535	2.0
121.10147	8.6
123.04474	1.5
123.08043	4.1
123.11705	3.8
125.06031	0.7
125.09653	4.0
127.03926	10.8
127.07573	1.0
127.08698	2.2
129.01840	0.8
131.04916	1.2
131.08588	2.1
133.10136	11.7
134.10518	0.9
135.08087	3.2
135.11678	2.1
136.07590	0.9
137.05937	0.9
137.09665	3.8
137.13278	1.0
138.09134	1.6
139.07524	1.8
139.11198	2.8
143.08566	0.7
145.04944	3.9
145.10136	1.7
147.08022	0.7
147.11696	3.4
149.09621	9.1
149.13254	3.6
151.03920	1.8
151.07635	0.7
151.11209	5.3
153.09116	2.6
159.02898	2.5
163.11195	1.2
163.14836	2.7
165.12781	1.8
166.08641	5.7
167.10725	1.0
167.14290	0.8
169.12262	2.2
173.13284	5.5
181.15840	1.4
183.13780	6.2
191.14322	11.2
207.13847	3.0
208.14146	2.1
209.15382	58.7
210.15868	0.8
215.92952	0.7
225.14781	1.2
227.16429	36.4
229.15498	5.1
231.05051	1.5
249.12367	0.7
267.13409	1.9
286.17529	1.2
318.94388	0.9
373.30457	0.8
383.94064	0.7
441.49725	0.9
457.31412	0.7
475.16125	2.6
475.32578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.05507	4.7
57.03423	2.3
57.07077	3.3
59.10822	2.2
67.05498	6.5
68.99761	3.5
69.03433	12.6
69.07050	5.7
71.03572	4.5
71.04990	18.1
73.90874	2.5
75.39742	2.8
77.56051	2.2
79.05517	5.8
81.03411	14.2
81.07079	14.6
83.02771	2.5
83.04990	6.2
83.08624	3.5
85.02911	29.3
85.06538	12.4
86.09691	3.1
87.00842	11.1
88.02611	2.3
91.05453	9.3
93.07040	17.1
95.04959	4.1
95.08624	21.2
97.02884	9.6
97.06512	4.7
99.04459	57.9
99.08095	8.4
103.05489	3.4
105.01863	6.0
105.07023	11.7
107.04967	5.2
107.08597	38.4
109.02892	11.0
109.06508	10.8
109.10152	12.7
111.08080	4.6
111.31023	2.4
113.09653	2.6
119.08589	6.9
121.06494	11.0
121.10160	29.8
123.07279	3.0
123.08058	16.7
123.11682	8.9
125.09620	8.1
127.03922	19.4
131.08563	9.1
133.10120	17.1
135.08022	8.1
135.11778	3.0
137.09575	5.1
139.11192	4.9
145.04968	5.2
145.10130	2.5
147.11685	7.5
149.09616	51.8
149.13254	15.0
151.11154	20.0
153.09106	7.9
158.10880	3.3
159.02914	2.9
163.11201	3.3
163.14832	16.9
169.12248	5.7
173.13286	16.0
183.13780	20.5
191.14313	61.3
209.15364	100.0
227.16438	68.7
231.05020	2.4
251.99419	2.7
320.15927	2.4
475.32327	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33687	1.2
55.01863	2.3
55.05509	4.2
57.03415	1.5
61.02935	1.6
67.05520	3.9
69.03430	17.3
69.07063	4.4
70.02580	7.2
70.06595	1.4
71.04987	3.4
78.41845	1.3
79.05499	2.4
81.03406	4.1
81.07069	6.6
83.04976	5.2
83.08603	3.8
85.02909	14.6
85.06578	2.3
86.09702	2.3
87.00824	5.3
91.05476	4.0
93.07062	9.5
95.04957	3.2
95.08619	10.4
97.02913	5.8
97.06532	3.8
97.10153	3.3
98.21368	1.6
99.04443	5.2
99.08092	7.7
105.01890	3.9
105.07031	5.1
107.08595	18.1
108.08135	1.6
109.02881	4.4
109.06527	4.4
109.10160	7.3
111.08090	4.3
119.08573	3.3
121.06515	1.7
121.10140	16.0
123.08047	3.7
123.11757	1.8
125.06025	2.0
125.09637	36.4
127.03918	9.0
131.08586	3.4
133.10126	8.1
135.08069	10.0
135.11720	2.3
135.93855	1.5
137.09608	5.1
139.07547	4.3
145.02870	1.7
145.04953	3.0
145.10216	1.9
147.11705	3.8
149.09625	90.5
149.13246	9.7
150.09885	1.8
151.03944	1.9
151.11185	17.1
153.09100	10.2
154.09885	2.3
154.59708	1.3
158.10883	1.7
159.02911	1.8
161.13075	1.7
163.14842	9.7
165.12798	2.0
166.08511	1.4
166.16920	1.5
167.10728	1.7
173.13300	8.0
177.05511	4.1
180.73740	1.3
191.14317	35.9
192.14465	1.5
200.12805	1.9
209.15379	100.0
210.15836	1.9
227.16434	15.5
243.44257	1.2
298.34262	1.3
306.88605	1.5
355.80963	1.3
362.18335	1.7
443.86533	1.4
457.16296	1.5
470.73380	1.6
475.16403	4.6
475.22916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01867	4.3
55.05506	16.6
57.03419	3.3
57.07057	1.7
59.04998	1.8
61.02921	3.5
65.03943	1.4
67.05502	20.0
68.99796	1.9
69.03432	17.9
69.07066	2.7
69.84126	8.5
70.06607	1.8
71.04993	3.7
72.08159	2.9
73.02905	3.0
79.05499	3.5
81.03415	16.7
81.07062	10.8
83.04983	59.1
85.02906	37.1
85.06528	7.3
86.09701	3.4
87.00832	13.7
91.05478	4.7
93.07043	6.1
95.04950	3.9
95.08604	26.5
97.02885	15.3
97.06511	3.6
98.97552	2.4
99.04466	10.9
101.05994	8.2
105.01869	12.9
105.07024	8.5
107.08595	21.0
109.02880	16.5
109.06501	4.0
109.10157	66.9
111.08095	4.4
117.01887	2.2
119.08565	9.2
121.06480	3.8
121.10150	13.2
123.08089	11.2
123.11720	2.1
125.09628	9.5
127.03909	27.5
127.11208	1.8
129.01845	2.8
131.08537	3.3
133.10133	7.0
135.08081	5.2
135.11713	5.0
137.05971	3.1
137.09618	11.6
145.02966	1.8
145.04970	10.7
145.10139	4.0
147.08092	1.4
147.11761	3.0
149.09612	3.6
149.13240	2.5
151.03896	2.3
151.11255	3.0
154.04959	2.9
158.34956	1.4
159.02904	9.3
161.13258	5.4
163.07639	1.6
163.11205	6.4
163.14810	4.5
167.14272	1.8
173.13277	8.7
177.12798	2.9
179.14304	50.1
191.14311	12.6
193.15875	4.9
197.15358	10.4
203.14296	3.4
209.02724	2.3
209.08127	2.7
209.15364	100.0
221.15411	6.2
227.09154	2.8
227.16394	9.4
231.05025	6.5
251.16371	1.6
313.12036	10.3
409.18118	1.8
421.18716	1.9
427.19797	2.7
439.19662	2.6
475.11566	2.7
475.17618	17.0
478.03214	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01874	3.1
55.05521	12.8
56.05038	2.8
57.03434	7.0
57.07053	2.3
62.06090	57.5
63.40255	2.3
63.84201	1.9
67.05505	24.0
69.07069	13.6
71.04980	3.2
71.25766	4.4
78.15367	1.9
79.05493	32.4
81.03406	2.6
81.07055	28.8
83.08638	5.0
85.06519	2.2
88.30016	1.9
90.71349	1.8
91.05488	35.8
93.07037	35.2
94.06583	2.4
95.04971	10.0
95.08610	19.6
97.06553	5.8
98.06015	2.7
98.98467	19.8
103.05495	2.6
105.07024	32.4
107.04978	2.9
107.08597	16.3
109.06535	2.4
109.10162	7.2
117.07009	12.0
117.24110	2.0
119.08574	27.3
121.06497	2.3
121.10146	14.5
122.06025	4.6
124.01514	2.6
129.06992	4.9
131.08560	19.9
133.10138	16.4
135.11678	7.9
137.05983	4.9
143.08568	6.6
145.10115	16.2
147.11700	12.9
148.07573	4.3
149.09602	4.2
149.13232	4.6
150.05524	4.6
151.06306	3.1
155.01059	4.3
157.10144	5.8
159.11693	12.3
161.13278	13.2
171.11723	6.3
173.02083	4.9
173.13287	7.6
175.14835	9.4
176.07063	15.4
176.10701	21.4
177.11400	2.7
184.07359	2.5
185.13289	5.7
189.09288	2.2
198.05281	5.9
204.10190	14.9
205.11008	15.3
213.16359	2.1
216.06424	6.7
217.19434	2.8
231.21150	3.6
241.19501	16.9
259.20572	34.3
297.22089	2.6
302.24805	13.1
315.23355	12.8
323.68582	3.0
333.24252	100.0
384.25601	3.0
412.24887	12.3
413.21011	20.1
430.20471	3.8
430.25949	48.5
431.21851	6.5
456.25336	8.7
457.24866	2.3
474.18466	4.6
474.28647	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03939	1.4
55.01860	2.0
55.05499	1.6
57.03433	1.9
57.07069	1.8
61.02911	1.5
65.03912	0.9
67.05505	2.7
67.83895	0.4
68.99792	0.7
69.03435	41.0
69.07067	3.4
70.06578	0.9
71.04990	1.3
71.56476	0.8
73.02899	1.9
79.05489	2.4
79.37095	0.5
81.03427	5.3
81.07062	4.5
83.04984	2.8
83.08621	1.1
84.22611	0.4
85.02910	14.9
85.06527	2.0
87.00826	5.7
87.04459	0.6
90.20464	0.5
91.03947	0.7
91.05482	3.0
93.07055	3.0
95.04977	0.6
95.08618	5.3
97.02901	7.6
97.06521	3.3
98.97579	0.7
99.04447	2.4
101.02347	0.5
103.03905	0.5
105.01864	5.1
105.07034	3.4
107.04944	1.5
107.08608	10.2
109.02888	3.8
109.06535	2.9
109.10176	2.3
110.09692	3.3
111.08084	2.2
112.34599	0.5
113.70927	0.4
117.01887	0.7
117.07039	0.6
119.04931	0.6
119.08565	3.3
121.06538	2.2
121.10152	8.4
122.06069	0.5
123.08033	1.5
123.11710	5.0
125.09641	16.9
127.03928	8.3
129.01807	1.0
129.06969	0.5
131.08578	4.6
133.10152	4.0
135.08069	8.6
135.11674	4.5
137.05992	2.6
137.09651	0.7
143.08618	1.0
145.04974	3.4
145.10123	2.7
147.02858	0.5
147.04369	0.5
147.11697	2.5
149.09634	4.7
149.13258	3.0
150.10356	0.5
151.11168	1.0
153.09126	5.0
157.10057	0.6
158.10934	2.3
159.02895	2.1
161.09599	0.7
163.06075	0.5
163.11186	1.5
163.14836	3.5
165.09122	1.8
165.12785	2.1
166.09511	0.7
167.14297	1.1
168.13882	1.7
173.13272	16.7
176.12137	0.7
184.07451	0.9
191.14316	60.0
192.14626	0.6
209.15381	100.0
210.15714	1.0
210.62280	0.6
226.18036	8.6
231.04990	1.5
233.09608	0.9
237.02716	0.6
251.10596	0.6
277.08313	0.7
295.82422	0.5
302.11703	0.5
307.95605	0.5
374.70752	0.6
375.20624	1.6
457.21213	0.6
474.23508	6.5
475.15521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
55.05521	17.7
57.03438	15.0
57.07058	5.4
60.99152	2.9
61.02924	6.7
65.03957	3.1
67.05510	25.1
67.14288	2.6
69.03430	13.4
69.07050	10.1
70.06596	15.9
70.94899	7.8
71.04987	8.4
71.08624	9.0
72.08166	3.3
73.02919	4.9
79.05482	10.4
80.75361	2.8
81.03410	11.9
81.07068	17.1
83.04984	6.9
83.08614	4.7
84.08104	3.4
85.02906	34.6
85.06507	3.1
86.06057	4.6
86.09689	12.5
89.06049	3.3
91.05500	20.6
92.57082	2.8
93.07052	13.1
95.08617	10.9
97.02892	15.3
97.06523	7.6
98.97549	2.8
99.04447	11.4
99.08099	6.8
103.03957	15.4
105.00067	9.8
105.03434	5.9
105.07044	58.4
106.99682	8.1
107.04948	5.2
107.08591	17.6
109.02869	11.5
109.06543	4.9
109.10173	19.2
110.09708	4.1
110.10472	4.4
111.08096	8.2
115.05414	3.1
116.98626	7.1
117.07051	7.0
119.08588	34.2
120.08107	3.7
121.06474	4.2
121.10147	5.6
122.06046	3.4
123.04406	4.5
123.08089	4.5
123.11671	2.9
124.47821	2.6
127.03925	27.2
127.11205	100.0
128.11559	18.2
129.07024	4.1
129.11844	5.5
131.08574	60.3
133.10126	15.1
135.04356	3.0
135.08069	7.7
135.11687	5.1
137.06003	15.4
138.09015	2.8
143.08537	12.4
144.09323	4.2
145.04904	9.5
145.10126	22.3
147.04373	6.3
147.11690	7.5
151.03838	3.7
158.10886	9.7
159.11562	2.8
161.04330	2.8
161.05933	2.9
161.13278	31.1
162.35861	2.8
163.06042	6.1
163.14806	10.9
167.81470	3.4
170.11682	3.4
173.13278	59.3
177.00745	3.4
177.05437	5.5
179.07115	4.4
180.07346	3.8
189.12794	3.0
191.07007	4.6
191.14307	83.0
198.11229	14.6
207.13864	2.9
209.15378	6.0
219.01891	3.3
229.15558	4.2
237.02861	4.6
302.72870	3.0
307.10638	7.6
319.76541	3.2
349.11386	3.3
360.16516	10.9
412.17566	10.2
439.02667	3.0
474.15073	3.6
474.23276	6.4
475.16711	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	473.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03361	1.7
53.03947	4.2
55.01854	3.9
55.05512	23.3
57.03439	24.0
57.07080	11.3
57.37575	2.0
60.19862	1.6
61.02929	53.2
65.03938	1.8
65.21107	2.0
67.05504	33.4
69.03423	24.2
69.07067	36.0
70.35857	1.7
71.01358	2.8
71.04987	4.9
71.08630	5.8
73.02914	25.8
74.24892	1.6
79.05491	17.2
81.03420	17.4
81.07057	38.3
83.04985	2.4
83.08620	26.4
85.02900	54.8
85.06527	3.0
87.04439	2.9
88.28164	1.8
90.79395	1.8
91.03954	39.1
91.05478	5.2
93.07052	17.1
95.04992	2.4
95.08610	26.5
97.02893	45.0
97.06541	6.2
97.10165	15.7
99.04468	8.5
100.04258	2.0
101.02346	8.7
103.03945	5.7
105.07028	3.8
107.08585	13.0
109.02867	9.2
109.10140	15.5
111.04461	2.0
111.08020	2.3
111.11723	5.6
115.03960	5.1
117.05471	2.5
121.10143	22.4
123.11724	9.6
125.09710	3.0
127.03915	22.8
129.05455	3.6
135.11679	16.7
137.05969	3.5
137.13280	5.6
137.34315	2.2
145.04929	9.5
148.46257	1.9
149.13278	7.1
159.06494	2.3
159.11647	2.0
162.08955	1.9
163.14856	4.3
177.16365	2.6
183.06517	5.2
184.07257	2.3
201.07603	5.8
212.41594	1.8
219.21010	16.8
237.22116	33.7
311.25790	100.0
312.26346	2.5
339.25357	4.4
345.23972	2.7
353.26959	3.1
455.30167	7.9
473.25314	2.3
473.31177	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01872	0.9
55.05497	1.2
57.03426	0.7
57.07065	0.8
61.02916	1.2
61.84232	0.6
63.85339	0.8
67.05502	2.2
69.03428	30.8
69.07057	2.3
70.31444	1.4
70.31845	1.1
71.04997	1.2
73.02908	1.8
79.05487	1.9
81.03426	4.0
81.07042	3.9
83.04970	2.9
85.02903	10.4
85.06548	1.2
87.00813	5.0
91.05474	2.9
93.07040	2.2
95.04970	0.7
95.08593	4.3
97.02869	3.7
97.06528	2.7
99.04449	2.3
105.01875	4.7
105.07014	1.8
107.08588	7.7
109.02865	3.1
109.06514	3.1
109.10157	1.9
110.09663	0.6
111.08079	1.8
119.08597	2.0
121.06489	1.3
121.10148	8.0
123.08060	1.7
123.11736	4.1
125.09638	11.4
127.03905	7.2
131.08548	3.3
133.10173	3.2
135.08060	7.1
135.11714	3.6
135.52774	0.8
137.05951	2.2
143.08531	1.1
145.04913	2.9
145.10133	2.6
147.11682	2.6
148.24619	0.7
149.09641	3.4
149.13217	2.2
151.11162	1.1
153.09079	6.4
158.10864	1.8
159.02954	1.6
163.03844	0.7
163.11160	2.1
163.14795	3.0
165.09091	1.2
165.12749	1.9
168.13789	0.9
173.13264	11.4
191.14297	55.8
209.15363	100.0
210.15700	1.1
226.17981	2.0
231.04959	1.6
292.10068	0.7
302.11639	1.0
375.20709	1.8
381.17462	0.7
412.17242	1.1
474.23575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01862	1.8
55.05513	1.7
56.69457	0.5
57.03427	1.6
61.02915	1.6
67.05492	1.4
68.99786	0.5
69.03432	9.8
69.07073	2.8
70.06581	1.5
70.66967	1.1
71.04976	2.1
73.02905	1.7
79.05499	2.2
81.03426	5.8
81.07073	2.3
82.03767	0.5
83.04975	2.1
85.02908	15.5
85.06567	0.5
86.09701	0.6
87.00835	5.3
91.03950	0.4
91.05500	3.4
93.07050	3.7
93.57890	0.5
94.88972	0.5
95.04976	6.8
95.08610	2.2
97.02892	4.2
97.06523	1.2
98.97591	0.8
99.04442	3.1
105.01878	5.0
105.07036	17.6
107.04936	0.7
107.08598	9.7
109.02897	5.0
109.06528	1.6
109.10134	1.4
115.03957	0.6
116.98615	0.9
117.07026	1.4
119.04937	2.9
119.08588	22.3
121.06503	1.9
121.10162	3.5
123.04383	0.5
123.08070	1.7
124.03972	0.8
124.82365	0.4
126.94899	0.5
127.03924	8.1
127.21393	0.5
129.06973	1.0
130.07744	0.7
131.08597	1.9
133.06488	5.0
133.10138	9.6
135.08052	1.8
135.11700	11.7
137.05978	0.7
137.09590	1.0
137.13243	0.8
143.08574	3.1
145.04935	3.5
145.10138	4.1
146.10820	0.5
147.04399	1.0
147.08058	4.7
147.11699	12.0
149.09602	1.8
151.07529	1.3
151.11212	0.8
153.09111	3.0
156.09299	3.3
159.02911	1.6
159.11752	1.9
161.09628	1.7
161.13261	28.3
162.05487	0.6
163.11191	18.4
165.09146	1.2
165.12791	1.3
171.11693	7.2
174.10408	1.1
177.00751	0.7
177.12704	1.0
179.14330	1.8
189.12755	44.1
190.13121	0.9
191.14378	0.6
205.12251	1.4
207.13828	33.5
208.14139	0.6
225.14867	100.0
226.15085	1.0
231.05048	1.4
237.02748	0.9
239.03458	0.8
273.14957	0.5
387.13303	0.5
404.74741	0.5
431.13095	0.6
473.16452	2.4
473.23700	0.8
474.20972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02097	1.1
53.03934	2.9
55.01871	2.5
55.05503	1.8
56.46870	0.9
57.03426	3.0
64.66454	0.9
67.05488	1.8
67.31683	1.1
69.03427	8.7
69.07057	2.3
70.06578	2.0
71.04977	3.4
71.39767	2.3
73.02909	1.1
79.05476	1.6
81.03416	6.8
81.07056	3.0
83.04967	3.0
85.02907	17.2
85.70841	0.9
86.09698	1.5
87.00828	5.4
87.54878	1.0
91.05471	3.8
93.07038	2.9
95.04974	8.9
95.08598	3.5
97.02889	6.7
97.06592	1.5
99.04444	4.7
105.01854	5.8
105.07029	13.3
107.04944	1.7
107.08593	11.6
109.02915	5.1
109.06489	2.7
109.10185	3.1
111.04481	1.1
111.08089	1.3
119.04974	2.3
119.08589	18.7
121.06487	1.8
121.10132	3.8
123.04458	1.4
123.08044	1.8
124.03897	3.0
127.03909	11.6
129.01825	1.4
129.06992	1.7
131.08569	3.3
133.06485	4.8
133.10123	8.0
135.08018	2.0
135.11690	8.9
143.08557	2.7
145.02849	1.2
145.04965	5.2
145.10107	5.7
147.04373	1.8
147.08051	3.4
147.11717	11.8
149.06000	1.4
149.09618	2.2
151.07469	2.0
153.09116	3.6
156.09344	3.1
159.02910	2.4
161.09557	1.6
161.13255	23.7
162.05502	1.6
163.11186	18.3
164.07152	1.1
171.11670	5.3
173.09590	1.1
177.12755	2.0
179.14391	1.6
180.06590	1.3
182.27734	1.1
189.12741	41.2
191.14183	1.4
205.12277	3.4
206.12369	1.2
207.13821	37.4
225.14854	100.0
226.15190	1.7
231.04971	1.6
237.02885	1.6
239.03445	1.7
279.03940	1.2
473.16455	2.3
473.23389	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20173	1.9
53.03949	1.5
55.05511	4.4
59.05007	1.7
67.05508	6.8
69.03432	9.1
69.07074	3.9
70.06601	3.2
71.04995	2.4
71.58549	1.7
79.05500	3.0
81.03432	7.8
81.07053	4.2
83.04990	4.5
85.02911	14.2
86.09721	2.3
87.00815	4.3
91.05490	5.9
93.07047	8.3
95.04971	4.4
95.08602	7.0
97.02892	6.8
99.04466	4.7
99.08106	4.0
101.06027	1.6
105.01859	3.7
105.07011	11.2
107.04940	2.4
107.08585	14.2
109.02880	5.2
109.06553	12.1
109.10164	10.1
113.16498	1.5
119.08583	10.5
121.06532	1.9
121.10159	6.9
123.08081	9.7
127.03937	13.5
131.08516	2.1
133.10159	4.2
135.08078	4.6
135.11681	2.8
137.09625	100.0
145.04964	3.6
145.10124	3.7
147.08101	2.2
147.11688	4.3
149.09653	8.7
151.07581	4.6
153.12766	2.4
156.09329	2.0
161.13312	8.0
162.13577	2.5
163.11180	4.0
165.09062	2.9
171.13846	2.2
181.12276	7.6
189.12807	8.2
191.14275	2.0
207.13803	25.5
225.14868	13.1
231.05016	1.9
329.12054	2.8
375.62433	1.7
411.16205	5.5
413.14157	4.4
473.15921	29.6
473.22717	4.1
497.82062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.7
62.03184	2.4
67.05492	14.0
69.03426	3.9
69.07053	12.0
71.59364	3.8
79.05495	12.3
79.91704	2.7
81.03439	3.9
81.07063	18.2
83.04968	4.0
83.08610	3.8
85.02905	8.2
85.06510	2.6
91.05477	14.1
92.32253	2.7
93.07047	13.9
95.04966	6.2
95.08615	12.9
97.06528	3.4
105.07051	16.3
105.47487	2.8
107.04964	5.3
107.08606	12.0
109.06499	9.9
109.10150	7.8
111.02591	2.5
117.07017	4.3
119.08572	8.0
121.06525	8.0
121.10130	4.1
123.08058	2.7
131.08563	11.9
133.06580	2.9
133.10132	12.7
135.07986	3.5
135.11653	4.3
137.05952	4.7
138.40381	2.9
139.13818	2.5
145.10135	4.3
147.08029	3.0
147.11688	6.7
149.09654	3.4
151.11165	5.1
159.11722	3.8
163.11188	3.9
173.09464	2.8
173.13307	4.8
201.12741	3.5
216.61580	2.8
239.18027	2.7
244.67177	2.6
257.19000	7.7
275.16953	4.0
275.20062	84.9
292.20020	2.9
293.21112	100.0
303.05078	3.8
312.27023	3.0
378.42844	2.8
436.21490	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01870	1.8
55.05508	4.8
57.03426	1.3
57.07076	1.2
61.02922	1.5
65.03946	0.9
67.05502	11.1
69.03430	39.0
69.07070	7.1
69.44758	5.9
69.45175	2.1
70.06612	1.2
71.04996	2.7
72.08152	2.6
73.02908	1.6
73.56415	0.9
79.05492	5.8
81.03421	7.9
81.07062	10.7
83.04969	3.4
83.08620	1.2
84.58052	0.8
85.02909	10.3
85.06553	1.3
85.15889	0.8
86.09708	7.1
87.00816	3.5
87.04472	1.2
91.03960	1.3
91.05479	4.4
93.07047	7.4
95.04974	10.8
95.08604	7.1
97.02869	6.2
97.06510	4.6
98.21526	1.4
99.04456	2.1
105.01873	3.9
105.07039	17.2
107.04948	2.2
107.08583	5.7
109.02873	4.0
109.06532	8.0
109.10146	4.0
110.07301	1.5
111.08096	3.5
117.07053	0.9
119.04888	1.3
119.08582	9.4
121.06547	4.1
121.10146	10.1
123.00797	1.2
123.04430	13.8
123.08047	5.6
123.11706	1.6
125.09569	1.5
127.03923	7.8
131.08586	1.6
133.06523	5.5
133.10132	23.5
135.08043	1.7
135.11678	2.2
137.05986	5.7
137.09624	13.2
139.11169	17.9
139.18628	0.8
143.08571	1.1
145.04933	1.9
145.10150	4.1
147.04469	1.3
147.08049	2.5
147.10672	0.9
147.11722	10.8
149.07343	0.8
149.09625	2.9
151.07520	3.9
151.11205	0.8
156.09337	2.4
159.02931	1.9
159.08064	1.3
159.11676	1.6
161.09625	1.1
161.13246	6.5
163.11180	6.6
165.09084	1.5
165.12788	1.9
169.01323	2.9
170.01662	1.2
171.11676	6.0
174.10408	3.2
175.07741	0.9
176.18521	0.9
177.12782	2.0
179.14352	2.1
187.11050	0.9
189.12762	21.4
205.85291	0.9
207.13806	100.0
208.14159	2.2
225.14859	38.3
226.15268	0.9
239.03339	0.9
243.13318	1.2
249.14874	0.9
301.05270	3.7
429.22375	1.3
451.23523	1.2
473.19830	6.9
473.31152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01863	0.5
55.05516	8.6
56.32498	0.4
57.03184	0.8
57.03439	8.3
57.07070	1.9
58.70338	0.4
58.99591	2.7
58.99867	0.4
61.01150	0.5
61.02944	0.8
65.82588	0.4
67.05173	0.7
67.05508	10.0
69.03432	1.4
69.07067	1.5
69.28579	3.9
69.28983	1.1
71.04993	0.9
71.08637	5.9
77.00629	0.7
81.03406	0.6
81.07059	2.5
83.04980	0.9
83.08643	2.3
85.02919	3.2
85.06551	1.0
86.99071	4.6
87.02704	0.7
89.00600	0.8
97.02900	1.1
99.08091	4.4
105.00092	12.3
109.02938	0.5
109.09470	0.7
109.10168	8.9
113.04260	0.6
122.05988	0.6
127.03916	0.6
127.11198	100.0
128.11519	1.2
131.05264	0.5
137.05991	0.8
141.12730	0.7
142.88176	0.4
145.04901	0.5
147.04391	0.5
153.12740	2.6
157.10519	0.6
159.04767	6.4
159.08423	0.8
169.01620	0.4
176.29504	0.5
179.07086	0.6
183.12137	0.5
185.09985	1.0
201.95103	0.4
211.11534	0.4
231.10536	1.5
249.11594	6.1
275.13153	4.8
293.14163	3.5
448.34229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24860	4.4
52.29182	4.3
53.03948	7.7
54.59722	5.1
55.01867	11.1
55.05508	18.9
63.32338	4.5
67.05509	52.3
69.03436	6.0
69.07072	43.0
69.38229	41.6
71.04988	5.0
79.05498	63.8
80.06322	4.3
81.03419	38.8
81.07064	52.9
83.04963	9.5
83.08610	13.3
85.02891	7.0
90.59712	4.7
91.05047	4.6
91.05491	50.4
91.52054	5.2
93.07045	65.4
95.04975	26.2
95.08607	77.9
97.06509	8.7
97.10172	12.5
100.63847	5.4
103.05434	5.5
105.07043	37.3
107.04960	58.4
107.07968	6.9
107.08611	71.7
109.06532	11.8
109.10158	29.4
115.05460	7.3
117.07030	18.7
119.08585	32.9
121.06446	8.9
121.10171	33.3
123.08071	20.3
125.09615	8.2
127.35379	5.8
129.07005	16.9
131.04912	9.9
131.08601	25.8
133.02853	6.4
133.06500	11.0
133.10115	16.3
135.08047	18.7
137.09627	17.3
143.08612	10.7
145.06477	5.9
145.10120	21.6
147.04411	4.9
147.08032	8.9
147.11700	6.8
149.09625	41.0
151.07552	8.3
151.11105	5.3
157.10085	10.8
158.10773	4.4
159.04434	13.8
159.11714	12.5
161.02342	8.8
161.09641	18.7
163.03923	55.1
163.11209	12.1
165.09076	9.3
171.11746	6.0
173.02368	24.4
173.11726	7.1
173.13181	4.9
175.11226	18.2
181.09941	6.2
183.04523	4.9
185.05978	10.0
187.03944	47.8
187.11247	6.6
189.11209	6.7
193.05165	6.2
199.03951	21.8
199.07582	5.1
201.05469	6.8
203.10760	6.4
213.05498	7.1
216.11578	4.8
225.16647	4.4
227.17999	9.9
229.11316	4.4
241.08595	6.1
245.18942	8.4
255.10115	11.7
255.17418	14.8
265.12271	6.6
267.10217	12.9
269.11771	14.6
273.18509	44.1
283.13168	5.2
291.19492	62.8
297.11139	6.8
311.12711	9.9
329.13876	7.6
361.68808	4.9
389.21292	7.1
391.22836	5.4
407.22217	12.0
417.15659	8.1
417.20667	100.0
418.20840	5.4
435.21774	68.9
453.22559	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.05504	1.9
56.96562	0.7
57.03435	0.8
65.03934	0.9
67.05503	3.4
69.03439	6.8
69.07058	2.3
70.75570	1.9
71.05003	1.1
73.02899	0.5
79.05489	4.9
81.03413	2.4
81.07053	6.4
83.04967	1.6
83.08619	0.8
85.02917	2.9
86.80775	0.7
86.83231	0.6
91.05484	4.4
93.07045	3.4
95.04964	2.0
95.08588	2.8
97.02892	2.9
97.06525	1.3
99.04456	1.2
101.02398	4.1
103.25509	0.6
105.07034	6.4
107.04945	3.1
107.08597	14.6
109.02876	2.2
109.06515	3.7
109.10159	5.9
115.05451	1.2
117.07023	2.5
119.03422	9.1
119.08571	3.2
121.06520	1.8
121.10144	10.9
122.06022	3.4
122.07290	4.3
123.08074	1.1
125.09626	1.0
127.03920	3.6
131.08566	2.2
133.10132	100.0
134.10478	1.2
135.08063	7.4
135.09030	1.0
135.11713	1.6
137.06035	1.5
137.09619	51.2
143.08578	1.0
145.04973	0.9
145.10146	1.4
147.11655	2.7
149.09615	1.6
149.13268	9.8
151.11168	2.2
157.10095	0.7
158.10925	1.0
163.14810	2.9
173.04630	0.6
173.13255	6.4
178.21402	0.6
184.07364	1.0
191.14310	49.5
192.14648	1.0
209.15370	8.6
245.06657	1.0
312.84705	0.6
315.80475	0.6
412.35788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91341	4.8
53.03928	7.5
55.01860	12.0
55.05509	37.3
56.96576	6.8
57.14703	5.8
65.03936	5.3
67.05502	68.9
69.03427	9.1
69.07063	56.3
71.58724	9.9
79.05496	89.5
81.03428	36.8
81.07052	57.7
83.04982	6.7
83.08619	7.0
85.02878	5.7
91.05477	82.4
91.62891	5.2
93.07040	80.6
95.04972	30.2
95.08602	76.2
97.06503	13.5
97.10146	9.2
103.05416	10.0
105.07033	49.6
107.04956	74.9
107.08585	77.8
109.06497	7.5
109.10162	34.5
115.05453	8.4
117.07003	24.3
119.08572	26.3
121.06509	16.0
121.10130	23.9
123.04467	5.7
123.08083	21.5
128.06221	6.7
129.07007	18.1
131.04904	12.2
131.08606	27.1
133.02815	13.3
133.06490	10.0
133.10097	25.0
135.08020	13.8
135.11725	8.7
137.09596	14.7
143.08563	11.6
145.06491	9.0
145.10110	20.7
147.04391	9.2
147.08113	9.7
149.09639	48.8
151.07570	6.7
151.11131	6.9
155.08601	6.2
157.10104	8.4
159.04405	13.7
159.11690	13.8
161.02341	11.8
161.09572	14.7
163.03900	62.6
163.11157	7.3
169.06303	6.3
169.10057	7.4
173.02303	34.0
173.11794	8.3
175.03973	8.7
175.11205	14.5
183.04475	6.8
185.09578	5.7
187.03925	62.3
187.11200	8.6
193.05022	5.9
199.03929	25.8
201.05429	10.7
203.10587	8.0
205.12233	11.7
213.05563	8.7
223.13257	7.8
227.18102	6.8
241.08659	6.3
255.10193	13.4
255.17424	14.6
267.10141	14.3
268.76331	5.4
269.11801	20.2
273.18509	50.5
283.13004	9.2
291.19519	98.4
297.11157	10.9
311.12622	5.7
313.14243	7.0
329.13922	5.4
369.59891	6.8
389.21313	8.5
398.14084	5.4
399.19763	7.7
407.22073	10.6
417.20584	100.0
435.21747	59.1
453.22769	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01867	2.4
55.05508	19.7
57.03432	5.1
61.02928	2.8
61.61646	1.1
67.05508	4.7
69.03430	5.6
69.07063	4.3
71.05001	2.1
71.08631	64.6
75.72366	1.1
79.05517	1.4
81.03420	4.0
81.07050	3.8
83.04979	68.2
83.08632	1.4
84.63741	1.1
85.02901	11.5
87.04456	1.4
89.91839	1.2
91.05479	1.7
93.07039	2.5
95.08602	2.9
97.02890	5.3
97.06528	2.7
98.20777	3.2
99.04454	3.6
99.08089	100.0
101.21645	1.1
105.07048	1.6
107.08585	2.9
109.02892	4.2
109.10146	3.4
111.08057	2.3
117.62628	1.4
119.08672	1.4
120.99551	4.2
121.06531	2.5
123.08053	2.7
127.03913	5.3
127.11169	10.3
133.10187	1.9
135.11630	1.7
139.03877	1.2
145.04889	1.7
147.04407	3.5
149.05907	1.3
153.12738	98.5
159.02928	1.5
159.11702	3.0
161.09448	1.4
163.05881	1.4
163.11154	1.2
167.07283	1.4
169.12274	1.7
171.13795	85.9
177.12744	4.2
182.15242	1.3
187.11214	1.7
205.12227	8.5
214.41541	1.4
223.13245	9.1
224.31042	1.6
240.64690	1.3
291.12585	24.3
291.19153	1.4
300.30536	1.3
309.13824	1.4
332.62177	1.3
471.22552	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	471.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
53.21359	0.8
55.01872	1.0
55.05508	3.2
57.03434	2.2
61.02924	1.5
67.05509	3.1
67.57539	1.0
69.03423	7.5
69.07064	1.8
70.06585	1.3
70.20209	3.5
71.04987	0.9
79.05498	3.6
81.03416	3.6
81.07049	3.6
83.04992	6.2
85.02895	6.8
87.00834	1.5
91.05472	4.7
93.07040	5.3
95.04966	2.2
95.08607	2.0
97.02892	3.8
97.06515	2.1
98.20790	1.2
105.01873	1.0
105.07027	9.1
107.04961	2.3
107.08601	6.5
109.02869	2.9
109.06553	1.5
109.10216	1.1
111.04471	0.9
111.08105	0.9
115.05479	1.0
117.07030	5.4
119.04919	1.3
119.08582	7.4
121.02786	1.4
121.06530	3.0
121.10146	3.9
122.06005	2.0
123.04449	1.3
123.08057	2.4
125.09635	2.1
127.03919	4.8
129.06990	4.6
130.07802	1.4
131.08566	6.2
131.73532	0.8
133.10101	4.3
135.08029	5.5
135.11731	3.6
137.05981	2.3
137.09599	1.5
143.08540	1.5
144.09337	11.9
145.04979	1.1
145.10146	5.6
146.07312	1.0
147.04388	2.8
147.08028	1.4
149.05975	1.0
149.09613	5.9
149.13231	1.1
157.06512	1.3
157.10207	0.9
159.02922	1.0
159.08057	1.4
159.10271	3.7
159.11685	47.8
159.13025	2.3
160.10553	1.8
161.09592	6.8
163.11176	18.7
165.09116	3.2
169.10138	2.6
172.08838	11.0
173.13258	1.2
175.07558	1.4
177.12737	18.6
184.07423	1.5
187.11183	100.0
191.14322	2.2
198.14908	1.0
205.12234	49.0
209.15424	2.9
275.07150	1.9
309.16815	1.3
471.08661	1.4
471.18408	1.3
471.25623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
54.98638	0.9
55.01871	1.6
55.05514	17.3
57.03428	4.5
61.26884	1.1
62.43432	1.2
67.05519	6.9
67.82024	1.3
69.03427	5.8
69.07053	3.7
70.06586	1.4
71.04970	1.5
71.08633	64.8
78.89211	1.0
79.05492	1.3
81.03389	2.6
81.07047	2.9
83.04982	66.8
83.08630	2.1
85.02913	9.7
85.06516	1.2
87.00803	1.2
88.99020	1.0
91.05465	1.7
93.07028	2.5
95.08607	1.8
97.02872	4.7
97.06515	3.3
97.20694	1.1
99.04465	2.7
99.08092	96.7
100.11242	1.2
107.08578	3.5
109.02857	2.5
109.10155	3.2
111.08023	1.2
120.99557	2.2
121.06523	1.2
123.08032	4.2
127.03873	5.6
127.11186	12.3
131.08583	1.7
133.10066	1.2
139.03844	1.7
145.04901	1.6
147.04391	3.6
153.12746	100.0
159.11662	3.1
161.09683	1.3
163.11209	1.6
171.13806	83.8
175.11127	2.2
177.12769	2.3
205.12215	6.3
223.13316	7.0
291.12604	18.3
303.04971	2.2
309.13614	1.5
356.20059	1.1
429.17947	1.7
471.22430	2.5
471.35123	1.2
477.77289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01872	1.7
55.05503	1.5
57.03432	1.2
58.78933	0.8
61.02908	1.3
64.34676	0.7
64.58868	0.8
67.05490	1.5
68.99781	1.4
69.03429	12.6
69.07058	1.8
70.06586	1.2
70.76624	2.0
71.04989	1.3
73.02917	1.0
75.17545	0.9
79.05490	2.5
81.03423	8.4
81.07050	1.0
83.04964	3.7
85.02908	11.7
87.00846	4.1
87.32069	0.9
89.89005	0.8
91.05477	4.3
93.07044	4.2
95.04957	2.7
95.08589	1.9
97.02882	4.4
97.06526	1.5
99.04447	4.2
105.01855	3.6
105.07044	10.0
107.04933	2.8
107.08601	4.8
109.02899	6.6
109.06504	1.7
113.39240	0.9
117.07018	2.7
119.08583	9.1
121.06503	3.5
121.10139	2.4
124.12991	0.9
127.03920	10.3
129.06993	1.5
130.07724	1.9
131.08583	5.3
133.06419	1.0
133.09117	1.4
133.10129	28.6
135.04416	15.7
135.08051	6.1
135.11685	5.8
143.08562	2.0
144.09326	3.5
145.05016	2.0
145.10127	6.0
147.04395	1.9
147.07996	2.1
147.11676	1.1
149.06000	2.4
149.09616	2.8
151.11166	2.0
157.10020	0.9
159.02875	3.2
159.11691	19.4
161.09607	8.3
161.13260	3.2
163.11192	12.0
165.09087	3.1
169.07599	0.9
177.12743	10.2
179.10693	13.6
187.11189	28.9
189.12732	3.4
191.10873	0.9
205.12244	100.0
206.12529	1.4
207.13844	4.0
223.13290	34.4
223.15457	2.0
231.04959	2.2
241.14389	1.3
263.67987	0.9
453.17398	1.6
471.18787	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	471.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21616	0.2
65.03936	0.2
69.03422	0.9
69.43259	0.2
69.81666	1.1
81.03417	0.3
85.02908	1.0
91.05478	4.2
97.02897	1.4
98.21463	0.3
119.04948	12.9
123.39452	0.2
127.03934	0.7
147.04413	100.0
148.04742	1.0
151.40747	0.3
161.02971	0.2
165.05472	1.1
177.00749	0.4
199.18001	0.2
205.12303	0.6
242.41672	0.2
261.03015	0.3
262.98688	0.3
279.03796	0.3
291.08636	0.9
309.09674	7.2
471.15024	0.8
479.19025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01862	2.3
57.03429	2.0
60.25343	0.7
61.02929	1.1
68.99763	0.8
69.03431	12.6
69.07055	1.8
71.01357	0.9
71.04979	2.4
71.37167	0.9
73.02907	1.1
79.05483	2.6
80.53385	0.7
81.03055	0.8
81.03425	8.9
83.04966	4.3
85.02910	10.7
87.00832	5.0
91.03932	1.1
91.05478	4.1
93.07032	4.2
95.04968	2.0
95.08585	1.5
97.02928	3.9
97.06532	0.9
99.04443	3.2
99.38777	0.7
105.01846	2.8
105.07035	9.7
107.04934	2.9
107.08618	4.8
109.02880	7.5
109.06519	1.6
117.07020	2.5
119.08572	9.9
121.06503	3.9
121.10144	2.8
123.08025	1.5
127.03914	10.5
129.07018	1.3
131.08571	5.4
133.10133	34.0
135.04424	17.0
135.08060	6.5
135.11700	8.3
137.09593	1.3
142.07730	0.7
143.08557	1.1
144.09373	4.4
145.04971	2.5
145.06415	0.8
145.10139	5.5
147.04410	1.1
147.08066	1.5
147.11682	1.4
149.05956	2.1
149.09648	3.7
149.13290	1.1
151.11165	1.7
153.09174	1.2
157.10027	0.8
159.02849	2.7
159.10437	1.4
159.11693	20.0
161.09637	10.4
161.13257	3.0
163.07530	1.3
163.11195	10.9
165.09131	2.6
172.08875	1.5
175.11098	0.8
177.12758	12.7
179.10663	12.9
186.09592	0.7
187.07550	0.9
187.09494	1.4
187.11186	28.7
189.12767	2.0
200.64081	0.7
203.10640	0.9
205.12245	100.0
206.12581	1.6
207.13821	3.8
213.04054	1.0
223.13303	32.6
231.05072	1.6
241.14423	1.0
271.13477	0.8
359.97128	0.7
372.55795	1.0
449.35382	1.0
471.18835	3.8
499.84991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05499	1.2
56.05029	0.9
57.03436	0.6
58.06599	1.2
60.08163	14.6
67.05501	1.7
68.31670	0.3
69.03439	0.7
69.07069	1.9
70.06593	0.3
70.99245	0.7
70.99591	0.3
71.04982	0.4
71.07373	4.5
74.90814	0.3
79.05482	1.0
81.03408	0.5
81.07061	2.0
83.04964	0.6
83.08618	1.6
85.02885	1.4
85.06542	0.4
86.09705	45.2
91.05488	0.6
93.07054	1.9
94.06556	0.4
95.04966	0.4
95.08581	0.6
97.02885	0.5
97.06520	1.4
98.98457	3.0
99.04391	0.3
104.10743	92.0
107.04945	0.4
107.08585	1.4
108.08154	0.3
109.02854	0.3
109.10171	0.4
111.08094	0.5
117.98507	0.3
119.05003	0.4
119.08626	0.7
121.10162	0.9
122.06038	1.3
125.00003	25.8
127.03982	0.4
132.81631	0.4
135.04433	0.5
135.11699	0.3
137.06006	0.6
138.09099	0.4
143.01042	0.5
147.04408	0.7
149.13277	2.0
150.07747	1.7
152.07008	0.5
159.11668	0.5
163.01607	0.6
163.03894	0.8
166.02632	0.3
167.14287	0.7
184.07339	100.0
185.07635	0.6
215.06917	0.4
216.07394	0.5
225.10669	0.3
231.15886	0.7
245.05974	0.6
258.10989	0.6
259.09845	0.5
260.10043	0.6
263.06625	0.4
273.05377	0.5
277.10876	0.3
278.11023	0.9
291.06479	2.3
292.06415	0.5
293.06906	0.6
294.07257	0.4
305.08032	0.5
306.08429	0.7
307.08734	0.6
308.08932	0.9
319.10919	0.5
332.64047	0.4
337.12366	0.5
365.11639	0.9
375.10144	0.6
393.16483	0.4
403.09729	0.4
407.12784	0.4
409.10788	0.8
435.11789	0.6
435.27386	0.3
438.13339	2.6
452.24030	7.5
453.13342	1.7
470.16205	1.3
470.25162	38.0
471.25385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.3
55.05512	13.8
57.03433	12.8
57.07077	23.0
59.04994	2.4
61.02929	4.1
67.05492	7.3
69.03426	9.8
69.07074	4.8
70.06586	10.9
70.88865	8.9
73.02923	3.1
79.05476	3.0
81.03424	7.0
81.07053	10.8
83.04987	44.0
85.02925	13.5
85.06546	32.7
86.09702	5.4
91.05487	7.5
93.07033	5.0
95.04964	4.8
95.08607	5.5
97.02908	6.4
97.06528	10.9
99.04446	4.9
100.11261	5.6
103.03910	5.2
103.07600	7.2
105.07024	9.0
107.04974	3.0
107.08629	4.0
109.02905	3.5
112.07597	6.1
114.09200	3.7
117.07074	2.9
119.08600	5.1
121.10157	4.8
122.06056	5.3
123.04472	2.8
123.08093	3.3
124.71992	3.0
127.03911	11.6
131.08688	3.2
133.10095	17.5
134.10513	3.7
135.04417	3.5
137.05984	8.3
137.09647	7.6
140.07051	3.1
145.04962	6.2
147.04405	8.9
147.11705	6.3
149.05905	2.9
149.09544	2.7
157.08603	28.2
159.10178	100.0
159.11511	5.8
161.06032	4.7
163.03943	6.3
173.02344	3.5
177.11209	6.9
182.15378	3.2
183.58917	2.2
187.07425	2.6
191.14334	5.4
194.22806	2.2
201.11208	13.9
210.14925	3.9
213.07504	2.5
215.07042	5.7
216.07471	6.4
221.30739	2.7
241.14389	20.5
259.08087	23.0
259.15497	9.5
260.09921	5.5
267.16144	2.7
272.11597	2.8
277.10645	3.7
278.11057	7.3
285.17078	8.8
318.74722	2.5
335.13348	6.1
402.55780	3.6
403.21027	11.2
419.75958	2.7
420.81372	2.9
434.17142	4.4
437.18503	4.0
438.24997	5.2
452.18237	3.7
452.26886	4.3
470.16864	7.3
471.18399	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	470.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87101	0.8
53.03925	1.7
55.01860	1.4
55.05265	1.2
55.05508	14.9
56.96550	1.6
57.03436	11.0
57.07074	25.3
57.50801	0.9
57.59174	0.8
59.04991	2.7
61.02914	1.9
67.05486	3.9
69.03416	2.5
69.07076	2.0
69.56716	7.1
70.06581	3.7
71.01337	1.0
71.04999	6.2
73.02899	2.3
79.05492	2.0
81.03393	3.2
81.07038	3.8
83.04980	48.6
83.08603	1.2
85.02907	9.1
85.06544	28.8
86.09657	2.3
89.90816	0.9
91.05491	4.4
93.07049	2.1
94.06577	1.1
95.04945	1.9
95.08585	1.7
97.02866	2.5
97.06541	5.2
98.06841	1.4
98.97556	2.0
99.04483	1.2
101.06015	1.3
103.03925	1.1
103.07575	8.1
105.07024	3.1
107.04936	1.7
107.08604	4.5
109.02850	2.0
109.06515	1.8
109.10142	1.6
112.07594	3.1
116.98520	1.1
117.06982	1.3
119.04919	1.8
119.08556	3.0
121.06483	1.4
121.10158	1.0
122.06020	4.2
123.04477	1.2
123.08059	1.6
127.03925	4.3
127.04719	0.9
127.34733	0.9
131.08556	1.0
133.06438	1.2
133.10144	2.1
135.04445	1.5
135.08043	1.6
136.07507	1.2
137.05974	3.9
140.07042	1.2
141.01782	4.3
147.04330	4.6
147.08147	1.2
147.11621	1.1
149.06018	1.4
149.09601	2.6
157.08607	27.3
159.02869	1.2
159.10164	100.0
160.56448	0.9
161.05983	2.4
161.09679	1.0
163.03880	3.5
163.07558	1.4
164.04198	1.1
164.10695	1.0
165.12747	1.1
169.08626	1.0
173.05977	1.3
173.09468	1.1
174.02548	1.2
175.09686	1.0
175.11115	1.8
177.11263	5.5
184.07289	1.8
187.07539	2.0
189.08984	1.0
201.11211	14.1
205.12225	2.1
215.07065	2.0
216.07388	1.5
237.02654	1.1
241.14342	20.4
259.08099	21.7
259.15353	7.7
260.09998	1.2
278.10980	3.8
285.17166	1.1
291.06598	1.0
296.05505	1.0
303.15939	0.9
323.08090	1.1
333.11978	2.1
335.13348	5.1
398.15500	0.9
403.21210	9.3
420.23804	4.1
438.24710	4.0
452.26364	1.7
470.16641	0.9
470.25256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
56.05028	1.3
57.03436	0.5
57.07075	2.9
57.90583	0.3
58.06569	1.5
60.08162	15.0
67.05490	0.7
69.07072	0.7
70.44534	1.0
71.07374	5.7
71.08627	1.8
75.34195	0.3
81.07041	0.9
83.08636	0.3
85.10183	1.0
86.09705	45.8
95.08596	1.4
97.10146	0.3
98.98481	2.9
104.10741	100.0
105.11055	0.5
109.10144	0.6
125.00002	25.4
143.01013	0.4
163.01517	0.6
181.02623	0.3
184.07336	93.5
185.07651	0.5
191.56090	0.3
245.69853	0.3
258.11020	1.1
285.24258	2.4
350.51706	0.3
391.22229	0.5
450.29797	10.0
450.36053	0.5
468.30856	39.9
469.30832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3086
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
55.05498	2.6
57.03451	3.7
57.07079	26.6
60.17909	0.7
62.06091	28.3
67.05500	5.5
69.07081	3.5
69.92421	2.1
69.92841	2.4
71.08636	21.7
81.07063	7.0
83.08630	5.0
85.05341	0.8
85.10182	11.0
89.05565	0.8
89.06046	10.5
95.08609	8.8
97.10179	3.5
98.98475	7.9
99.11738	1.2
109.10166	4.4
111.11728	1.4
113.13271	0.9
120.61937	0.7
122.99854	0.8
123.11728	1.6
124.01611	1.3
133.08614	5.2
142.02615	1.5
155.01042	9.9
173.02133	1.3
177.11227	2.1
198.05295	0.8
216.06250	2.4
267.52277	0.7
283.17560	3.0
295.41687	0.7
296.29510	13.1
313.27286	1.7
314.27661	9.1
327.28934	100.0
328.29221	2.6
394.24603	0.7
407.25568	7.4
450.30200	5.6
451.36493	5.2
468.30957	2.6
468.37161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05499	1.3
56.05029	1.2
57.03426	2.0
58.06602	1.3
59.57241	0.4
60.08165	13.3
61.02933	0.5
64.43243	0.4
67.05509	3.0
69.03422	1.5
69.07068	2.9
70.09938	1.1
70.10344	1.0
71.04993	0.8
71.07373	5.3
79.05495	1.5
81.03416	1.3
81.04962	0.4
81.07067	6.3
83.04999	1.0
85.02909	2.1
85.06528	0.8
86.09709	46.8
86.66311	0.5
90.78183	0.5
91.05476	2.0
93.07037	2.0
94.06541	0.5
95.04967	0.9
95.08614	1.6
96.08153	0.4
97.02900	0.9
97.06539	7.0
98.98463	3.3
99.04440	0.6
101.02382	0.5
102.96109	0.4
104.10748	93.2
105.07043	3.5
105.11078	0.8
107.04984	0.6
107.08579	2.4
109.02859	1.0
109.06483	0.5
109.10148	1.8
119.03413	1.2
119.04885	0.5
119.08601	1.6
121.06469	0.5
121.10138	1.7
122.06057	1.2
123.08029	0.5
123.11718	1.9
125.00010	24.7
127.03936	1.9
127.07565	0.5
127.11208	1.6
133.10158	2.6
135.08049	0.5
136.07571	1.0
137.05963	0.8
137.07927	0.9
145.10143	0.7
145.12244	1.3
147.08023	0.5
147.11665	3.0
148.12024	0.5
151.11172	1.0
161.02344	1.3
163.01567	0.7
163.03912	3.5
164.07114	1.3
165.07405	0.7
165.12784	0.7
171.13797	0.5
173.02306	2.3
184.07350	100.0
185.07637	0.9
187.11125	0.4
215.07030	4.3
253.14354	5.2
258.11319	0.9
259.09689	7.2
260.07855	0.5
261.52130	0.4
267.15814	0.5
270.49664	0.4
271.15424	3.5
277.10696	2.8
285.17090	0.5
288.14377	0.5
297.63354	0.4
306.13989	0.5
450.22638	7.3
468.23654	38.6
469.14728	0.5
469.23749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.6
57.03447	7.9
57.07076	32.0
67.05503	10.5
67.63701	0.8
69.07070	5.8
69.99642	4.6
71.08234	1.1
71.08631	21.5
81.07058	12.7
82.00047	0.8
83.08620	8.0
85.10188	10.4
89.06047	1.2
93.81976	0.8
95.08041	1.6
95.08605	15.8
97.10173	4.3
98.98465	36.3
101.72240	0.8
109.10163	9.9
123.11702	2.2
136.99997	2.4
137.01006	0.8
137.13181	1.0
140.01117	1.2
155.01039	47.2
173.11760	1.1
196.64731	1.1
211.03596	1.1
215.64421	0.9
229.04797	3.3
239.23567	4.7
257.24603	1.1
300.16870	0.9
313.27359	100.0
314.27692	1.1
393.23929	3.3
449.26617	15.4
467.37485	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	467.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
56.96573	0.6
57.03458	0.5
61.02901	0.5
65.03947	0.7
67.05495	1.4
69.03427	2.6
70.02721	2.6
70.06603	0.7
79.05495	0.9
81.03419	2.3
81.07072	1.3
83.04902	0.5
84.09525	0.5
85.02905	4.3
86.09711	0.7
91.05467	2.4
93.07037	1.9
94.06548	1.2
95.04966	1.2
95.08566	0.5
96.08125	1.0
97.02884	1.4
97.06531	1.0
99.04439	0.7
99.61643	0.5
107.04977	1.1
107.08607	0.7
108.08117	0.8
109.02869	3.0
119.04974	0.6
122.06006	4.4
124.07598	9.4
125.09613	0.6
126.05520	1.3
126.09129	0.6
127.03908	2.0
127.79676	0.5
135.04405	0.5
135.08090	0.6
136.07576	90.5
137.05893	0.9
137.07921	1.2
138.09169	0.9
138.13345	0.5
140.07024	1.2
143.88495	0.5
145.02766	0.5
145.04950	0.6
151.03864	1.4
152.07065	22.5
153.01930	0.5
153.04477	0.6
160.07634	0.6
164.07066	100.0
165.07423	1.5
166.08635	2.2
170.08144	0.9
179.03329	0.5
182.08110	2.8
184.07367	2.2
201.16446	0.5
212.09187	0.8
224.09145	2.0
229.04942	0.8
244.09618	1.1
245.18843	0.5
272.09143	1.1
287.13885	25.8
290.10223	0.9
297.12354	0.6
303.04941	5.3
304.05322	4.5
305.02078	0.8
305.05518	11.7
305.14917	3.5
308.11301	1.6
311.13947	0.9
315.13327	0.8
347.16019	9.9
395.16052	4.0
413.17175	4.3
431.18350	3.6
449.87509	0.5
467.15323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.11010	0.5
55.01869	0.7
57.03442	0.7
57.31390	0.4
60.08158	0.6
61.02921	1.1
62.73689	0.5
63.12785	0.5
67.05516	0.9
69.03419	2.5
70.06576	0.9
70.72550	1.0
70.72952	0.9
72.47547	0.5
78.96663	0.4
81.03436	3.2
81.07065	0.9
85.02895	3.9
86.03247	1.0
86.09709	1.5
91.05486	1.6
93.07047	2.3
94.06550	0.6
95.04971	1.4
95.08632	0.5
95.55324	0.5
97.02892	1.9
97.06503	0.8
99.04467	0.9
104.10761	0.8
105.07041	0.9
107.04933	0.8
108.08112	1.3
109.02879	3.4
116.13898	0.5
119.08649	0.9
122.06033	3.9
123.04390	0.8
124.07603	8.5
124.99959	0.6
126.05534	1.1
127.03905	2.4
134.99442	0.6
136.07581	88.3
137.02345	0.7
137.05981	0.6
137.07903	0.5
138.09149	1.1
140.07076	1.2
145.05017	0.5
148.07599	0.8
151.03915	1.1
152.07069	21.3
153.01840	1.4
164.07068	100.0
166.08652	1.4
170.08180	0.8
182.08098	2.8
184.07343	2.7
185.07698	0.7
212.09143	0.6
224.09183	2.0
229.05066	0.5
230.05269	0.8
272.09225	0.8
287.13910	26.2
290.10052	0.6
296.11234	0.6
297.12335	0.6
303.04974	8.9
304.02353	0.6
304.05371	7.3
305.05551	17.6
305.14932	4.7
308.11160	1.0
311.13736	1.0
315.13324	0.6
326.12222	0.6
329.15009	0.6
347.16022	9.7
365.15204	0.7
372.87048	0.5
395.16022	2.5
413.17123	3.0
431.18118	3.2
449.19397	0.6
467.22119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
56.96573	0.6
57.03458	0.5
61.02901	0.5
65.03947	0.7
67.05495	1.4
69.03427	2.6
70.02721	2.6
70.06603	0.7
79.05495	0.9
81.03419	2.3
81.07072	1.3
83.04902	0.5
84.09525	0.5
85.02905	4.3
86.09711	0.7
91.05467	2.4
93.07037	1.9
94.06548	1.2
95.04966	1.2
95.08566	0.5
96.08125	1.0
97.02884	1.4
97.06531	1.0
99.04439	0.7
99.61643	0.5
107.04977	1.1
107.08607	0.7
108.08117	0.8
109.02869	3.0
119.04974	0.6
122.06006	4.4
124.07598	9.4
125.09613	0.6
126.05520	1.3
126.09129	0.6
127.03908	2.0
127.79676	0.5
135.04405	0.5
135.08090	0.6
136.07576	90.5
137.05893	0.9
137.07921	1.2
138.09169	0.9
138.13345	0.5
140.07024	1.2
143.88495	0.5
145.02766	0.5
145.04950	0.6
151.03864	1.4
152.07065	22.5
153.01930	0.5
153.04477	0.6
160.07634	0.6
164.07066	100.0
165.07423	1.5
166.08635	2.2
170.08144	0.9
179.03329	0.5
182.08110	2.8
184.07367	2.2
201.16446	0.5
212.09187	0.8
224.09145	2.0
229.04942	0.8
244.09618	1.1
245.18843	0.5
272.09143	1.1
287.13885	25.8
290.10223	0.9
297.12354	0.6
303.04941	5.3
304.05322	4.5
305.02078	0.8
305.05518	11.7
305.14917	3.5
308.11301	1.6
311.13947	0.9
315.13327	0.8
347.16019	9.9
395.16052	4.0
413.17175	4.3
431.18350	3.6
449.87509	0.5
467.15323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07943	0.4
66.14518	0.5
71.11506	1.0
77.69234	0.4
84.74577	0.4
94.01768	0.4
96.48292	0.4
101.07751	0.4
122.97956	0.4
135.48955	0.5
177.00922	0.5
208.19661	0.4
216.98933	0.9
222.97986	0.6
234.99973	6.8
236.00029	1.0
240.98935	1.1
251.27692	0.4
253.01074	3.2
259.00021	19.8
260.00110	1.9
260.99982	0.7
261.03046	1.4
262.02902	0.5
264.98843	2.7
271.98483	0.5
274.97739	0.4
277.01062	29.8
278.01190	2.7
279.00952	1.1
282.01672	0.7
282.99979	43.6
284.00107	5.3
284.99994	0.8
291.99765	0.8
300.02554	0.6
301.01047	100.0
302.01181	10.8
303.01010	2.3
304.01007	0.8
319.02118	9.1
320.02271	1.1
324.02734	3.8
325.02997	0.6
359.93427	0.6
360.99847	0.6
382.99927	0.6
395.00345	0.5
401.01212	4.1
402.01202	1.0
403.01184	0.8
406.99924	5.0
408.00031	0.5
425.01132	21.3
426.01328	4.1
443.02225	87.9
444.02338	13.8
445.02237	1.9
461.03323	1.0
466.03879	7.1
467.03659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01870	1.3
55.05508	1.9
56.96556	1.3
57.03432	2.0
67.05513	4.0
68.81409	0.8
69.03435	7.4
69.07062	3.4
70.06584	1.1
70.20162	3.5
71.04992	2.6
72.14702	0.7
73.02934	1.0
73.06561	0.9
75.04482	2.4
76.61939	0.7
77.72105	0.8
79.05489	2.1
81.03429	6.0
81.03855	0.8
81.07050	4.9
81.45041	0.9
83.04988	1.8
85.02908	12.3
86.09721	0.8
87.04458	1.6
91.05480	3.3
93.07034	4.1
95.04971	2.4
95.08590	4.0
97.02874	3.4
97.06522	3.7
99.04461	3.1
105.07030	2.8
106.49442	0.9
107.08606	3.6
109.02876	4.4
109.10155	2.2
111.04456	1.9
113.06012	1.2
117.07043	1.0
119.08596	2.3
121.10168	1.9
122.06036	1.6
123.11721	1.7
125.09615	1.2
127.03905	6.0
129.07040	1.3
133.10115	1.7
134.94579	0.8
135.08069	1.0
135.11728	0.9
135.29420	0.8
136.07573	8.8
137.05969	1.6
141.05469	3.3
143.87144	0.8
145.02867	1.2
145.10130	1.1
147.11749	1.1
149.13286	1.1
152.07117	1.8
156.89122	0.9
159.06549	6.3
159.11694	1.0
163.07417	0.8
163.11234	1.2
164.07094	7.1
169.10129	0.9
177.05496	1.7
198.24493	0.9
201.16400	1.0
203.08569	0.9
218.07259	6.7
220.06558	1.0
230.07402	1.1
234.06749	3.7
237.02841	1.0
245.06018	15.3
246.06804	5.7
259.07428	5.5
261.09158	1.4
262.03650	1.5
262.06274	18.3
262.09067	1.0
273.05481	21.1
274.05826	1.2
277.08694	2.0
287.07095	1.6
287.13907	2.5
289.04996	14.5
290.05652	3.9
291.06512	43.4
305.08096	100.0
306.08380	2.3
333.07678	1.6
387.72958	0.9
410.70099	0.9
467.12991	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	466.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.7
57.03424	4.0
57.07076	33.1
61.02905	1.5
67.05502	7.1
68.05819	1.2
69.03412	5.2
69.07067	59.1
69.25996	1.9
69.26397	13.3
71.08628	20.3
79.05482	1.9
81.03405	3.3
81.07058	7.4
83.08617	59.6
85.02907	16.1
85.10167	10.3
91.05504	1.3
91.25847	1.2
93.07038	2.9
95.08609	7.9
97.02878	4.9
97.10170	55.4
98.21513	2.5
98.98466	13.6
99.11667	1.4
107.08559	1.2
109.02859	1.4
109.10143	3.8
111.11722	24.5
121.10149	1.7
123.11645	1.5
125.13268	12.5
127.03933	1.5
135.11678	2.0
135.43184	1.2
139.14854	5.8
150.25661	1.3
153.16356	1.6
155.01027	13.4
219.21091	2.6
227.23689	100.0
228.23990	1.9
237.22029	2.3
251.57565	1.1
259.26425	6.6
268.26331	16.2
287.25845	23.3
291.69733	1.2
312.26108	3.5
313.27393	20.9
317.09219	1.2
369.92056	1.3
446.83362	1.3
449.26520	3.6
466.35843	3.5
486.24344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01876	4.4
55.05517	4.0
57.03429	3.5
59.04997	1.6
60.08148	1.0
61.02915	3.2
67.05489	3.0
68.99792	1.4
69.03429	13.7
69.07060	1.7
70.06563	1.7
70.84665	2.7
71.04994	22.7
73.02912	3.5
73.06566	6.5
79.05486	5.2
81.03417	17.9
81.07056	16.1
85.02905	36.8
85.06548	4.5
86.09698	2.7
87.00830	13.7
91.03935	1.5
91.05476	2.2
93.07041	6.8
95.03701	0.8
95.04974	1.4
95.08624	4.6
96.52709	0.7
97.02889	11.9
97.06540	8.2
99.04455	8.6
99.08092	25.1
102.52277	0.8
103.03919	1.6
105.01862	9.6
105.07051	5.1
107.08595	7.3
109.02137	1.0
109.02885	18.4
109.06521	2.1
109.10159	3.6
111.08099	3.1
115.03918	0.9
117.01864	2.4
117.60816	0.8
119.08586	1.8
120.04462	1.0
121.10142	3.2
123.04369	1.0
123.08084	1.6
123.11706	3.2
125.00015	1.0
125.09626	1.0
127.03910	28.7
127.07567	13.4
129.01819	2.0
135.11714	1.1
137.05936	1.1
137.13271	9.3
139.11198	1.7
145.04970	13.6
147.02974	2.0
147.11696	7.5
149.13263	1.8
159.02895	9.9
165.12756	22.1
167.14333	2.5
177.03978	1.6
183.13812	100.0
184.07346	6.7
184.14198	1.7
213.04007	2.2
220.88414	0.8
231.04883	6.1
303.04971	1.9
304.05237	2.0
305.08176	1.4
329.12210	1.6
431.19186	17.2
466.22488	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.05517	1.6
57.03426	4.0
57.07064	2.0
59.04992	1.3
64.13762	0.7
67.05509	4.6
69.03429	15.7
69.07070	4.3
69.73260	0.7
69.93694	3.6
71.04997	1.0
73.02910	1.2
73.35599	0.8
79.05486	10.3
81.03426	3.1
81.07057	100.0
82.07384	0.9
83.04988	0.9
85.02907	12.4
85.06518	1.1
87.04471	10.3
91.03930	0.9
91.05493	1.8
93.07039	2.0
95.04969	1.4
95.08606	15.6
97.02898	13.7
97.06535	1.6
99.04449	1.4
105.07062	1.3
107.04964	0.9
107.08593	1.8
109.02902	1.8
109.06541	0.8
109.10165	2.8
111.04420	1.0
113.05983	0.7
115.03926	23.7
116.98660	0.9
119.08584	1.3
121.06446	0.9
121.10170	1.4
122.06021	2.1
123.04455	0.9
123.08054	0.8
127.03918	3.1
133.04961	24.4
135.11713	1.1
136.07544	0.8
137.05972	2.1
137.13257	23.2
145.02882	0.8
145.04970	3.3
145.32285	0.8
149.05971	0.8
149.09755	0.8
150.07625	2.3
161.13164	0.9
161.22536	0.9
163.06107	0.8
164.07129	1.3
169.05090	0.9
170.77377	0.8
174.94612	0.7
177.05408	0.8
177.08051	0.7
184.07301	1.0
248.16489	1.0
249.16736	1.7
250.17010	1.7
259.08197	1.7
277.09219	1.4
295.10165	2.1
382.09909	0.8
412.69092	0.7
451.17023	0.8
466.31012	4.6
467.18085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03940	0.4
53.67598	0.2
55.01863	0.5
57.03419	0.9
61.02923	2.0
61.99044	0.2
68.99790	0.9
69.03431	3.2
70.98729	0.2
70.99024	0.3
71.04979	0.5
73.02896	0.7
77.26456	0.2
79.17397	0.2
81.03420	1.7
85.02902	10.4
86.09718	0.3
87.04472	0.4
91.03956	0.7
93.03395	0.2
95.04973	0.2
97.02887	3.1
97.66863	0.2
98.93820	0.2
99.04465	0.6
101.95804	0.2
105.07022	0.3
107.08599	0.3
109.02884	1.3
111.00803	0.7
120.08110	0.2
121.02842	1.0
123.04414	0.3
126.06964	0.2
127.03913	2.3
136.07552	0.5
136.76019	0.3
137.02342	2.8
145.04936	1.7
153.01826	4.1
163.03880	0.7
164.07050	0.4
165.01820	2.3
173.06088	0.6
183.02873	0.8
183.04326	0.5
187.03912	0.3
201.05458	2.1
214.74294	0.2
229.04971	4.4
239.03284	0.2
242.10144	0.2
247.06023	0.8
257.04471	3.1
274.04657	0.3
277.97665	0.2
285.03906	1.3
303.04980	100.0
304.05307	2.8
345.06210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01865	0.8
57.03423	0.7
59.13575	0.4
61.02908	1.5
65.92990	0.4
68.99789	0.6
69.03439	2.9
69.48502	3.4
81.03411	2.6
85.02909	10.1
91.03968	1.0
97.02883	3.3
98.20762	1.0
99.04418	0.7
109.02871	1.8
109.72928	0.4
111.00793	1.3
121.02843	1.0
127.03912	2.4
137.02345	4.1
141.53273	0.4
145.04982	2.0
149.02304	0.5
153.01825	5.0
163.03961	0.7
165.01855	2.1
173.05992	0.7
183.02963	0.4
195.02902	0.5
195.90941	0.4
201.05412	1.8
229.04984	4.3
247.05904	0.7
257.04337	2.6
274.04694	0.5
275.05634	0.5
285.03961	1.4
303.04993	100.0
304.05325	2.4
436.35352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01852	0.7
55.05501	0.8
57.03428	1.1
61.02933	3.2
67.05486	0.7
68.99780	1.0
69.03428	3.6
70.93049	0.8
70.93381	0.4
71.04969	0.5
73.02911	1.3
73.10357	0.4
79.05501	0.4
81.03389	2.7
81.07041	1.5
83.04997	0.4
85.02422	0.8
85.02902	9.9
87.04469	0.9
91.03954	1.5
91.05463	0.9
93.07021	0.8
95.04946	0.7
95.08576	0.6
97.02890	3.6
99.04429	1.0
99.08076	1.5
105.07030	0.6
105.89476	0.4
107.04916	0.5
107.08572	0.4
109.02877	1.6
111.00829	0.8
119.08598	0.5
120.08087	0.5
121.02877	1.3
122.06034	1.4
123.04427	0.4
127.03920	2.6
128.04237	0.4
136.07567	6.3
137.02328	3.6
137.05963	0.7
145.04922	1.5
153.01796	4.6
164.07074	10.2
165.01831	2.0
166.02721	0.4
173.05951	0.9
177.00694	0.4
182.08154	1.7
183.02975	0.6
193.12199	0.8
195.02869	0.6
196.09973	2.7
201.05466	1.3
211.08737	0.6
211.12285	1.5
212.10773	3.1
223.08534	0.4
224.09450	2.1
229.04950	3.6
239.11801	8.3
241.13426	1.0
247.06093	0.7
257.04434	2.8
267.11282	22.1
270.10007	0.4
274.04736	1.3
285.04004	1.6
285.12338	37.5
290.10117	0.4
303.04993	100.0
303.13303	16.6
304.05304	3.3
308.11319	1.0
315.04865	0.6
326.12335	1.6
345.06015	0.8
347.54312	0.4
406.76950	0.4
447.16962	0.5
465.09964	0.9
465.18304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01874	0.3
56.95219	0.1
57.03433	0.7
59.05001	0.1
59.08731	0.1
59.72295	0.1
61.02930	7.5
65.03940	0.3
67.01843	0.1
67.05486	0.1
68.99800	0.8
69.03425	1.4
69.48242	0.1
70.95316	0.2
70.95707	0.2
71.05006	0.1
71.49811	0.1
73.02548	0.1
73.02926	1.8
73.90862	0.1
74.09740	0.1
79.21176	0.1
81.03427	0.6
83.01306	0.1
85.02911	6.9
87.04501	0.2
91.03960	3.9
93.03414	0.3
95.04983	0.1
97.02898	3.3
99.04465	0.4
101.02379	0.2
109.02885	0.8
110.32671	0.1
111.00809	1.0
115.03947	0.3
118.07465	0.1
120.08154	0.1
121.02876	1.2
122.05997	0.1
123.04438	0.3
127.03915	1.3
131.04938	0.2
133.02849	0.1
135.04414	0.3
137.02350	3.9
137.03374	0.2
145.02901	0.1
145.04967	0.8
145.06441	0.3
149.02382	0.5
151.03947	0.1
153.01833	4.6
155.04912	0.3
159.04369	0.1
159.46191	0.1
161.05992	0.4
163.03929	0.7
163.06013	0.1
165.01828	2.6
166.02632	0.3
173.06017	0.6
177.05507	0.1
179.03426	0.2
183.02901	1.0
183.04462	0.3
187.03891	0.3
191.03455	0.2
195.02931	0.3
201.05467	2.0
205.05005	0.2
207.02986	0.2
211.04036	0.1
213.05450	0.2
215.03354	0.1
217.05019	0.1
219.03015	0.1
219.06551	0.4
228.04153	0.3
229.04982	4.9
230.05257	0.1
232.03648	0.1
233.04564	0.2
239.03604	0.2
247.06064	0.8
257.04449	3.3
258.04898	0.1
274.04755	0.9
275.05313	0.2
285.03955	1.5
302.04211	0.1
303.05002	100.0
304.05356	2.4
315.05017	0.7
327.05130	0.2
341.06714	0.1
345.06049	0.4
355.07855	0.1
369.06161	0.4
381.05975	0.2
411.07248	0.1
429.07748	0.1
447.09198	0.2
465.10413	0.3
465.18530	0.1
479.85986	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	464.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.01877	2.1
55.05516	10.8
57.03431	1.3
57.07075	2.1
65.03943	2.3
65.34335	0.8
67.03974	0.8
67.05511	25.3
69.03432	2.8
69.07069	8.5
69.52343	6.9
71.05013	1.7
71.08640	6.9
71.91262	1.1
79.05501	10.1
81.03413	7.4
81.07059	15.9
83.04992	6.0
83.08633	6.4
85.06560	2.7
86.09707	1.1
91.05492	18.9
91.06014	1.6
93.07052	13.1
95.04977	10.0
95.08614	14.0
97.06538	5.0
97.10195	5.6
98.20815	1.7
99.08099	6.9
105.07039	7.4
107.04948	1.3
107.08590	10.4
109.06526	2.9
109.10154	19.0
110.34570	0.9
111.08080	1.5
113.78271	1.0
117.07024	2.8
119.04947	7.5
119.08592	8.2
121.06515	1.9
121.10152	7.5
123.04427	1.7
123.11758	1.5
124.05222	1.8
124.99964	1.0
125.09673	3.9
126.02235	20.6
129.06981	1.4
131.08589	4.2
133.06499	2.2
133.10162	8.0
135.04430	1.1
135.08095	2.5
135.11734	5.5
137.05984	46.1
137.09648	4.1
139.11188	24.0
141.09113	1.9
143.08604	1.7
145.10144	3.9
147.04443	3.4
147.08069	1.1
147.11699	6.0
148.57036	0.9
149.06003	2.3
149.09648	1.8
149.13275	3.4
151.11194	55.4
154.08681	3.4
155.10692	2.1
157.10164	2.4
159.11734	7.8
161.06059	2.3
161.09720	1.6
161.13322	3.9
163.04042	1.4
163.07616	1.9
163.11220	2.7
165.12856	2.4
167.07100	1.7
171.11835	1.0
173.11751	13.4
173.13161	1.7
175.11177	1.6
175.14850	2.5
177.12770	10.1
184.07356	1.7
185.13277	1.1
187.07585	1.9
187.11278	1.8
187.14812	1.1
189.11229	1.3
189.12784	1.3
189.16362	1.5
201.16412	7.2
203.14270	1.1
203.17944	1.8
208.06444	3.0
213.16423	1.4
215.07104	1.1
215.17955	6.0
229.15932	1.1
229.19632	1.9
231.13771	4.4
239.17953	1.8
241.15923	1.7
245.15576	0.9
257.15387	8.9
257.19092	2.6
259.09818	2.1
260.10062	4.9
274.18060	11.6
275.20129	7.2
288.12784	1.3
293.21112	57.7
303.05084	1.5
311.22430	1.4
314.14273	1.4
321.25970	2.3
339.26855	6.6
354.17502	1.0
411.25290	4.7
429.26450	14.1
446.28995	3.6
447.27448	1.7
464.29984	100.0
465.30408	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01873	1.3
55.05514	9.9
57.03438	0.8
57.07061	1.4
65.03927	1.0
67.05175	1.3
67.05506	18.2
69.03405	1.5
69.07068	6.6
69.78785	5.7
71.04972	0.8
71.08609	2.9
79.05074	0.8
79.05495	12.7
81.03402	3.3
81.07057	24.5
83.04958	3.0
83.08624	6.7
85.06509	1.9
86.09715	1.6
91.05487	16.5
93.06474	1.1
93.07042	20.4
94.72040	0.8
95.04997	3.7
95.08067	1.3
95.08613	19.6
97.06521	5.3
97.10149	3.2
99.08057	2.6
102.75898	0.8
105.07031	19.0
107.04964	2.1
107.08600	21.2
108.01176	5.9
109.06472	2.2
109.09452	1.2
109.10159	16.6
111.08049	1.6
117.06981	3.5
119.04933	3.0
119.08579	19.0
121.10145	13.9
122.06059	0.8
123.08024	1.4
123.11693	2.4
124.05199	1.7
125.09616	1.5
126.02218	71.4
129.07001	0.8
131.08578	8.6
133.06485	1.4
133.10133	19.3
135.08067	1.5
135.11700	11.6
137.05981	22.3
137.09624	4.6
137.13260	1.0
139.11186	8.4
143.08566	2.3
145.10121	12.8
147.04410	0.8
147.08038	1.3
147.11691	15.3
149.09653	1.5
149.13254	8.5
151.11189	17.0
153.07761	1.0
154.08598	2.3
155.08598	1.7
155.10680	1.1
157.10100	3.2
159.11700	9.5
161.05943	0.8
161.09665	1.7
161.13260	12.5
163.03862	1.6
163.11176	6.0
163.14824	3.8
164.04248	1.0
165.12758	0.7
169.10201	1.4
171.11639	2.1
173.11726	3.8
173.13232	5.0
175.07550	0.8
175.11177	2.4
175.14801	9.9
177.12743	7.0
177.16400	1.0
178.22722	0.8
183.11632	1.9
184.07323	2.7
185.13255	5.6
187.11203	1.0
187.14864	4.4
189.12747	2.7
189.16351	6.0
191.14281	2.2
197.13243	1.8
199.14781	3.5
201.16382	20.1
202.16707	0.9
203.14354	1.9
203.17944	3.4
206.04823	0.8
208.06406	16.1
211.14842	4.3
213.16359	1.9
215.14517	1.1
215.17955	20.1
215.89072	0.8
216.07132	0.9
217.15837	1.0
222.07921	1.4
225.16435	1.8
227.17973	1.5
229.16042	4.5
229.19458	3.8
231.13849	2.2
231.17328	1.5
234.08023	1.2
239.17793	2.1
243.17427	1.6
243.21085	4.1
245.15254	0.9
248.09515	1.2
257.15363	4.4
257.18942	2.1
259.09631	2.2
259.17068	1.0
260.09998	4.7
262.11041	2.9
274.18024	6.5
275.20004	1.3
276.12537	1.7
279.21051	0.9
288.12573	3.9
293.21115	15.5
300.12576	1.8
302.14111	2.9
303.04861	1.6
314.14178	2.6
316.15808	1.9
321.25775	8.3
328.15759	2.2
339.26840	19.7
342.17355	1.2
349.60956	0.9
354.17319	3.3
356.19049	1.8
368.18924	1.8
382.20465	3.2
411.25208	1.0
427.44028	0.8
428.28201	1.0
429.26367	5.4
446.28448	3.2
447.27493	1.1
464.28537	100.0
465.28552	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	463.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05512	3.6
57.03426	3.3
61.02911	2.4
67.05502	8.1
69.03422	2.5
69.07072	3.6
71.04971	2.1
71.59254	0.9
73.02917	1.5
79.05488	11.2
81.03407	2.4
81.07049	9.1
83.04959	2.3
83.08619	3.7
85.02920	3.5
85.03345	0.6
85.06550	0.8
86.09702	0.6
91.03944	1.1
91.05474	4.7
93.06470	1.0
93.07044	16.6
95.04961	4.2
95.08604	16.4
97.02873	4.5
97.06515	2.3
97.10160	0.9
98.95007	0.6
99.04456	2.5
100.11255	0.8
103.05492	0.8
103.91245	0.5
104.19402	0.5
105.07030	3.5
107.04944	3.6
107.08591	13.1
109.02874	1.5
109.06477	1.2
109.10146	2.2
111.04429	0.7
117.07017	4.3
119.04950	0.8
119.08568	6.1
121.06505	3.7
121.10142	6.9
123.04418	0.6
125.05978	2.2
125.09620	0.8
126.05574	0.7
127.03906	2.3
129.69327	0.5
130.07773	0.9
131.04866	0.5
131.08565	0.7
133.10112	2.0
135.08038	2.0
135.11688	26.7
137.05962	0.8
139.07553	1.2
145.10120	15.0
147.04381	0.7
163.11174	36.4
164.11551	0.7
173.09624	1.1
181.12233	7.2
209.11653	0.7
215.07118	0.8
227.12772	51.6
255.11488	0.6
259.09702	1.2
283.15384	100.0
284.15765	1.8
287.05536	1.5
293.43924	0.5
301.11646	0.7
316.98715	0.7
419.52078	0.7
422.51901	0.7
445.20694	1.5
463.21255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.285
Annotation	Epothilone H1
Peak:m/z	Relative Intensity
53.03931	3.4
55.01862	4.1
55.05520	10.5
61.02917	1.9
67.05503	20.4
69.03428	4.3
69.07062	12.4
71.04982	2.5
71.58486	1.7
79.05483	14.3
81.03410	7.3
81.07061	17.6
83.04973	5.3
83.08619	4.3
85.02901	4.9
85.06506	1.3
86.84126	1.5
91.05469	15.5
93.07035	14.3
94.06565	3.6
94.07402	1.9
95.04958	4.4
95.08600	12.7
97.02882	3.9
97.06519	13.7
97.10158	3.9
99.04449	2.6
103.05437	1.5
105.07030	11.4
107.04973	9.1
107.08608	8.3
108.08104	1.8
109.02865	4.7
109.06535	5.7
109.10152	8.6
115.05447	3.0
116.47069	1.3
117.07020	6.5
119.04949	2.1
119.08575	6.2
121.06499	5.3
121.10158	4.4
122.06072	7.2
123.04426	3.3
123.08061	2.4
123.11604	1.4
125.00018	1.9
125.09588	2.9
127.03917	4.7
128.06300	1.9
129.07014	6.7
131.04962	3.2
131.08568	8.7
133.06499	3.1
133.10138	4.8
135.04369	3.9
135.08064	3.2
135.11699	1.4
137.05983	11.4
137.09587	3.1
138.09184	1.8
141.06999	6.0
142.07773	1.8
143.08569	4.4
144.05678	2.0
145.06480	6.3
145.10152	7.9
147.04443	3.5
147.11655	2.2
148.07507	1.4
149.01103	1.4
149.05983	18.9
149.09628	6.5
151.07536	3.6
155.08562	2.8
157.06477	3.3
157.10156	2.4
159.08078	6.8
159.11699	3.8
161.06010	10.5
161.09630	2.7
163.03940	5.3
163.07559	5.7
163.11205	2.0
165.09087	1.8
169.06519	4.0
169.10075	2.0
171.08099	4.2
173.02357	2.7
173.05969	11.8
173.09619	5.1
175.07521	17.7
176.07101	1.9
177.07806	1.7
177.09158	3.8
181.10185	1.7
183.08090	3.1
184.07364	3.3
185.06033	6.5
187.07536	81.7
187.11162	4.8
188.08301	1.9
189.05428	1.9
189.09108	10.4
190.08604	1.6
191.10693	2.5
195.08099	4.4
197.05988	3.4
199.07510	7.6
201.05388	1.7
201.09097	8.7
204.10268	10.6
205.10439	1.7
205.12315	1.8
209.09753	2.1
211.07449	2.4
211.11269	2.1
213.09106	7.4
215.07030	10.8
215.10718	5.8
219.13762	2.1
225.08963	2.1
226.10486	1.6
227.10695	2.7
227.14435	2.2
229.12262	6.6
241.12291	6.5
243.13892	2.0
245.15480	1.7
246.14899	2.5
247.13268	2.1
255.13884	5.2
257.15384	2.9
259.09695	16.2
265.14532	1.7
269.15436	8.4
273.14890	4.1
279.13858	2.7
281.17453	4.2
282.17859	8.9
285.14981	2.1
290.17627	2.3
291.16034	3.6
291.19574	10.4
297.14801	11.0
298.18521	1.5
311.16702	1.6
314.17615	5.1
315.12131	2.1
315.15897	38.3
315.19281	2.8
341.14529	1.5
381.24390	2.5
391.22806	5.7
409.18640	3.3
409.23639	28.2
418.24463	3.6
426.26419	6.2
427.19492	3.9
427.24725	25.2
428.25266	1.6
444.27490	39.6
445.26263	1.8
451.98413	1.8
462.28500	100.0
463.28546	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	462.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.8
55.05518	2.5
55.05719	0.5
56.96570	0.6
58.52399	0.6
61.02916	0.8
67.01817	0.6
67.05498	4.3
69.03419	1.4
69.07045	2.5
71.04976	1.4
71.44395	1.0
79.05479	2.9
81.03400	1.6
81.07068	2.5
83.04970	0.9
83.08606	0.9
84.04509	0.6
84.35981	0.5
85.02891	2.0
86.09708	0.8
90.43619	0.6
91.05470	2.8
93.07035	2.4
94.06582	0.7
95.04924	1.5
95.08597	3.6
97.02875	1.5
97.06528	4.0
97.10164	1.0
105.07014	1.9
107.04977	0.6
107.08591	1.2
108.08029	0.6
109.02869	1.6
109.10149	1.4
110.09614	0.7
111.04405	1.1
117.07013	1.3
119.04941	1.1
119.08588	1.5
121.10111	1.0
122.06024	2.2
123.04443	2.0
124.11237	12.4
125.09628	0.9
127.03907	2.5
129.07008	0.6
131.04980	0.7
131.08571	1.3
133.10138	1.1
135.04413	0.8
135.08080	0.9
135.11702	0.9
137.05992	3.5
141.07042	0.8
145.06467	1.1
147.04414	1.1
147.06874	0.5
147.07986	0.7
148.05176	1.1
148.07465	0.7
149.05992	1.6
155.14502	0.6
157.10143	1.0
159.11676	1.1
160.05101	0.7
161.05988	2.0
161.13226	0.7
162.05518	2.7
163.03897	3.4
163.06201	1.0
163.07568	0.9
163.11205	0.9
164.07063	1.6
165.09090	1.0
169.06470	0.7
173.05977	1.6
173.09639	0.8
175.07558	1.1
176.07076	3.9
177.07858	100.0
178.08607	2.7
180.13869	0.6
184.07367	0.7
187.07535	1.1
189.09094	1.0
190.08670	1.2
199.07634	0.8
201.12724	0.7
215.06911	2.8
246.14908	49.4
247.15196	0.8
259.09726	4.9
275.07092	0.6
279.95618	0.5
320.18671	3.1
351.23010	0.8
353.33325	0.6
369.24149	3.7
397.23767	1.9
419.89835	0.6
424.60522	0.6
426.26392	0.7
444.27505	3.7
459.46198	0.5
462.28522	65.7
463.28699	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	462.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
53.06660	0.6
55.01860	1.9
55.05513	6.9
59.04999	0.7
65.03928	2.1
67.05508	21.1
67.05866	1.3
69.03419	1.9
69.07076	27.8
69.07452	1.5
70.18130	1.2
70.18495	3.0
71.04995	1.7
79.05496	12.9
81.02982	1.0
81.03423	16.4
81.06646	0.8
81.07067	9.0
83.04979	2.7
83.08635	5.0
85.02908	0.8
85.06526	0.9
91.05486	22.1
93.06475	1.0
93.07050	10.8
95.04967	7.8
95.08605	9.6
97.06514	5.3
97.10190	5.5
99.04453	0.7
99.08082	0.8
100.53921	0.7
105.07029	5.1
107.04959	25.0
107.05701	1.2
107.08594	7.5
109.06515	2.7
109.10162	16.3
111.08089	2.1
115.05421	1.0
117.07008	5.2
117.83407	0.6
119.04961	8.8
119.08592	8.7
121.06528	4.1
121.10152	4.4
123.04454	2.3
123.08044	2.0
124.05209	2.6
125.09635	4.7
125.90076	0.6
128.06169	0.6
129.07004	2.4
131.08595	5.6
133.06520	3.3
133.10114	2.7
135.04440	2.9
135.08052	4.3
135.11749	1.8
137.05986	47.7
137.09615	10.4
139.07585	0.7
143.08566	2.8
145.06467	1.4
145.10101	5.5
147.04402	2.1
147.08031	3.3
147.11737	1.9
149.05995	1.9
149.08418	1.2
149.09622	24.6
150.05548	0.8
151.11166	0.6
154.08662	3.2
155.08577	0.7
155.10649	2.1
157.10152	3.4
159.08054	1.4
159.11700	3.6
161.05995	2.5
161.09608	3.7
163.07608	1.2
163.11208	2.6
165.07010	0.8
165.09161	0.9
169.10139	1.8
171.08063	0.8
171.11678	1.6
173.06009	1.9
173.09651	1.7
173.11748	12.0
175.07564	2.8
175.11148	3.3
177.09131	1.3
177.12816	1.6
179.10651	0.7
185.09566	1.9
187.07535	1.9
187.11218	2.5
189.09189	0.8
189.11243	2.0
189.12790	1.3
193.11856	0.7
199.11372	0.7
203.10687	2.1
211.07542	0.7
215.07042	0.7
215.10590	0.8
221.11807	1.4
223.13347	1.8
229.12289	3.1
232.64297	0.7
235.13304	2.3
241.12245	0.8
243.13718	1.6
245.18929	1.3
247.13194	0.8
249.14925	0.9
255.13841	9.5
255.17444	1.7
257.15344	1.5
259.09708	2.6
263.20322	0.8
264.17200	0.6
272.16479	10.8
273.18527	7.0
291.19553	52.4
292.20032	1.5
309.20593	2.3
346.20328	1.0
357.16928	2.3
379.22418	0.9
391.22519	1.0
409.23776	5.5
426.26276	1.2
427.24796	14.6
444.27466	6.5
445.26059	2.0
462.28516	100.0
463.28659	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	462.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01866	3.4
55.05508	8.7
57.03446	1.3
57.36390	0.7
59.04994	1.3
65.03929	1.5
67.05507	23.8
69.03419	2.7
69.07069	26.3
70.26644	1.9
70.27061	1.7
71.04988	1.2
75.64133	0.7
79.05494	10.5
81.03419	16.3
81.07057	10.3
83.04977	2.7
83.08615	5.2
85.02892	0.9
91.05486	18.3
93.07047	10.7
95.04975	6.8
95.08613	8.8
97.06542	3.8
97.10172	5.9
98.21477	0.8
103.05484	0.8
105.07047	6.9
107.04956	22.4
107.08604	8.5
109.06516	2.0
109.10158	15.9
111.08087	2.0
115.05450	1.2
117.07013	4.0
119.04949	5.5
119.08589	9.3
121.06514	3.7
121.10149	3.5
122.06036	1.4
122.31425	0.8
123.04469	1.1
123.08088	1.8
124.05223	1.4
125.09639	5.5
129.07036	2.7
131.08568	6.3
132.63498	0.8
133.06506	2.6
133.10123	3.4
135.04430	2.5
135.08031	4.5
135.11707	1.0
137.05984	40.6
137.09607	10.5
139.11172	0.9
143.08569	1.6
145.06502	0.9
145.10123	4.9
147.04436	3.1
147.08038	4.1
147.11711	1.4
149.06006	2.1
149.09619	23.0
150.05550	2.7
151.06326	2.7
151.28302	0.8
154.08688	1.8
155.08617	0.8
155.10725	2.1
157.06529	1.2
157.10141	1.8
159.08047	1.0
159.11700	3.0
161.05994	1.9
161.09639	2.3
163.07545	1.0
163.11171	1.9
165.05513	1.0
169.10168	1.6
169.32097	0.7
173.02417	0.9
173.06003	3.1
173.09567	0.9
173.11737	9.2
175.07552	2.1
175.11217	3.0
177.09148	0.8
177.12669	1.3
179.10585	0.8
185.09653	1.1
185.13258	0.8
187.07623	1.4
189.09227	1.2
189.11209	1.8
189.12712	1.4
193.12294	1.1
199.07497	0.8
199.11206	1.2
203.10594	1.8
211.07516	0.9
217.12201	0.8
217.58691	0.7
221.11726	1.3
222.85147	0.7
223.13268	1.7
229.12230	4.1
235.13223	1.9
237.16493	1.0
243.13878	1.2
247.13358	0.9
255.13776	5.6
255.17686	1.0
257.15372	2.4
259.09607	1.8
272.16507	6.2
273.18488	6.6
275.19962	0.8
285.14902	0.9
291.19547	50.1
292.20078	1.2
309.20694	2.1
339.15817	0.9
357.17215	1.8
391.22491	1.3
409.23837	5.4
426.26248	1.8
427.24786	14.9
429.78741	0.9
444.27512	5.7
445.25919	2.6
462.28516	100.0
463.28839	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	461.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01875	16.5
55.05507	25.6
55.56950	3.0
57.03421	11.8
57.07071	7.2
59.05001	7.7
61.02936	6.1
67.05505	19.7
68.99792	3.6
69.03079	5.8
69.03426	65.3
69.07065	58.9
71.04986	18.2
73.02920	7.5
79.05486	9.8
81.03416	53.4
81.07057	41.4
83.04980	13.4
83.08618	12.6
85.02906	87.3
85.06539	24.1
86.09720	4.6
87.00820	37.0
87.04480	4.5
88.16248	3.2
91.05468	12.2
93.07048	21.8
95.04964	6.2
95.08607	53.5
97.02892	65.3
97.06524	12.5
97.10172	14.4
99.04457	19.0
99.08087	31.9
101.02359	3.2
101.33916	3.5
103.07603	4.1
105.01856	31.6
105.07001	10.6
107.08586	42.8
109.02880	47.9
109.06508	4.4
109.10147	29.9
111.08082	10.4
111.11705	12.0
113.09636	13.8
117.01850	4.6
119.08586	5.7
121.10144	38.1
122.06068	8.2
123.11686	12.8
123.76221	3.3
125.09624	12.8
127.03918	83.7
131.08562	4.3
133.10080	19.7
134.10480	12.4
134.54871	3.4
135.11668	22.3
136.07541	3.9
137.05927	6.6
137.09654	7.1
137.13254	29.2
138.09935	6.1
139.11145	7.8
145.04968	22.3
145.10147	6.1
147.02879	5.0
147.04387	4.9
149.13257	10.6
151.14789	8.1
153.12744	23.0
159.02846	15.7
159.11636	4.1
177.16386	100.0
181.12057	4.1
191.14366	7.5
192.14594	5.2
195.17451	84.5
213.15036	7.3
213.18481	100.0
231.05020	23.3
417.20944	4.9
425.22449	4.1
461.19089	10.1
461.23972	19.1
461.30872	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22489	2.4
53.03949	13.4
54.65556	2.8
55.01871	14.3
55.05283	3.2
55.05508	23.0
57.03425	11.1
57.07065	6.4
59.05000	6.2
61.02913	7.6
67.05493	11.3
67.69703	2.4
69.03429	51.9
69.07066	54.7
70.87598	4.5
70.87936	5.2
71.04994	15.6
73.02905	11.9
79.05483	9.3
80.37657	2.2
81.03419	55.8
81.07056	25.8
83.01373	2.4
83.04986	13.3
83.08604	8.1
85.02908	100.0
85.06535	15.3
86.09705	2.8
87.00835	34.0
87.04479	3.1
87.58506	2.4
91.03907	3.6
91.05471	4.3
93.07040	14.6
95.08601	47.7
97.02894	34.5
97.06515	8.6
97.10186	15.1
99.04480	17.8
99.08094	32.3
102.51604	2.3
105.01865	26.9
105.07022	4.0
107.08600	27.7
109.02882	56.8
109.10168	15.6
111.08068	3.7
111.11747	11.6
113.09663	14.9
115.03928	3.7
117.01828	5.4
119.08587	4.4
121.10143	29.9
123.08074	2.3
123.11712	11.3
125.09642	9.4
127.03919	85.3
129.01839	8.1
133.10124	10.1
134.10452	3.4
135.11690	19.1
137.13248	13.4
139.11168	8.2
145.04979	27.2
145.10042	2.6
147.02837	7.8
149.13261	5.2
151.14859	4.0
153.12779	20.0
159.02881	25.7
177.16396	67.4
189.03957	3.0
195.17441	87.0
213.04022	4.7
213.18492	83.6
231.05000	18.9
249.05962	3.3
316.45093	2.5
351.86038	2.6
456.00949	2.8
461.23773	32.3
461.30807	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	460.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01859	0.8
55.05515	2.8
56.96552	0.7
67.05224	0.6
67.05509	6.7
69.07063	2.9
69.47423	0.5
69.53448	3.7
69.79444	0.5
70.06609	0.5
76.85081	0.5
78.04692	0.6
79.05492	4.6
80.05013	3.9
81.03409	2.5
81.07059	3.9
83.04999	1.0
83.08612	1.7
85.02890	0.6
91.05477	3.8
93.07027	4.1
94.06573	9.8
95.04957	1.8
95.07352	10.4
95.08597	2.8
96.08102	0.8
97.06510	1.2
97.10168	1.3
98.97588	0.9
105.07028	2.0
106.04221	0.6
106.06569	3.3
107.04941	3.0
107.08596	1.2
108.04458	2.4
109.06496	0.5
109.10178	3.1
110.06067	0.6
115.68028	0.5
116.98520	0.5
117.07019	1.1
118.06500	0.6
119.07309	0.9
119.08584	2.4
120.08113	1.3
121.06493	1.1
121.10107	0.9
122.06030	41.8
123.06820	18.3
124.07602	1.6
125.09656	0.6
129.07024	0.7
130.06500	1.2
131.04945	0.6
131.08606	0.8
132.08060	2.1
133.05309	0.6
133.06459	0.8
133.10167	1.0
134.06020	6.7
135.04428	1.2
135.06783	2.4
135.08029	0.6
136.07585	1.8
137.06000	1.3
137.09639	1.0
138.09140	0.5
140.59227	0.5
143.08514	0.7
145.06471	0.8
145.08870	1.3
145.10095	0.9
146.06021	1.3
146.09671	0.9
147.04399	0.7
147.08011	1.0
148.07571	2.1
149.09616	0.8
150.05508	57.0
151.06288	58.9
152.07085	8.1
155.08470	0.6
156.08038	0.5
158.09686	1.4
159.06808	1.1
159.11722	0.6
160.07619	0.7
160.11226	5.5
161.05913	0.6
161.09593	0.6
162.05534	0.7
163.11174	0.8
163.81688	0.5
164.07092	0.7
165.09146	1.0
169.08904	0.5
171.10384	0.7
172.07558	2.4
173.06056	0.6
173.08386	1.6
173.11758	1.0
174.09238	0.5
175.06279	2.1
175.11232	1.2
176.07098	4.3
176.10684	2.7
177.05426	0.6
177.11456	1.1
178.12296	1.3
184.07411	0.7
184.11150	0.7
185.09692	0.6
186.09143	2.1
187.09874	1.1
188.07065	1.1
188.10718	9.6
190.08638	1.0
198.12746	1.0
201.09146	0.6
202.08658	1.0
204.10229	1.6
205.10986	3.9
212.14220	0.8
214.16011	0.7
242.15503	0.5
244.13367	1.3
258.15002	0.8
270.14972	0.9
272.16415	2.8
278.83878	0.6
282.14932	1.0
284.15906	0.6
286.14542	0.6
291.19617	1.7
302.17386	0.6
358.11752	0.9
383.13925	1.2
396.25253	2.2
398.23297	0.9
398.55664	0.6
406.23843	3.3
414.26447	3.7
416.24332	6.1
424.24869	8.8
432.27142	0.7
442.25906	55.8
443.26196	1.8
443.66547	1.2
444.16666	0.8
459.67993	4.5
460.18933	6.8
460.26938	100.0
461.27267	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	460.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05513	6.8
56.05026	0.5
57.05810	1.0
62.50810	0.5
65.54719	0.5
69.03440	0.8
69.51591	2.9
69.51996	1.4
72.08154	100.0
85.02914	2.2
85.34465	0.5
90.74243	0.5
116.89076	0.7
118.08654	88.9
119.64938	0.6
127.03894	1.9
129.48392	0.5
145.04924	1.3
163.05966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2693
Annotation	Militarinone A
Peak:m/z	Relative Intensity
53.03936	0.7
55.01866	1.2
55.05514	3.9
56.96556	1.0
57.42473	0.6
67.05508	9.2
67.13129	0.5
69.03417	1.2
69.07073	3.6
70.06590	0.5
70.69051	1.9
71.04980	0.8
77.26784	0.5
79.05499	6.0
80.05014	4.3
81.03430	2.5
81.07059	5.1
82.06572	0.6
82.58659	0.5
83.04985	1.1
83.08622	1.9
84.95978	0.6
85.02924	0.7
91.05482	5.8
91.06017	0.9
93.07055	5.1
94.06016	1.0
94.06570	12.2
95.04969	3.4
95.07355	14.6
95.08602	3.8
96.08108	1.7
97.06532	1.0
97.10167	2.0
98.97569	2.0
105.05743	0.7
105.07030	3.0
106.04192	1.0
106.06551	5.0
107.04958	4.8
107.08577	2.3
108.04498	3.5
108.08124	0.6
109.02877	0.7
109.06539	0.6
109.10172	4.0
110.09656	0.9
116.98629	2.1
117.07018	1.5
118.06541	1.1
119.08577	2.9
120.08123	1.1
121.10139	1.1
122.06031	48.4
123.06820	20.8
123.08100	0.8
124.07582	2.6
125.09605	0.8
129.06987	1.2
130.06519	1.2
131.08560	2.0
132.08072	2.2
133.06525	0.7
133.10110	1.0
134.06018	8.4
134.99690	1.0
135.04427	1.6
135.06779	3.4
135.07887	0.9
136.07565	1.7
137.05971	1.5
137.09612	1.3
138.09143	0.8
143.08549	1.8
144.08066	0.9
145.06496	1.0
145.08876	1.9
145.10069	0.9
146.06001	2.1
146.09576	1.3
147.04420	1.5
147.08080	0.9
147.11636	0.7
148.07553	2.5
149.09642	1.1
150.05508	64.4
151.06291	66.7
152.07086	10.2
155.08569	0.7
157.10091	0.7
158.09657	1.4
159.06775	1.5
159.11679	0.7
160.07622	0.7
160.11227	6.0
161.09634	0.7
162.05481	1.1
163.11288	0.9
166.08641	0.7
169.10184	0.8
170.09668	1.2
171.10378	0.6
172.07588	2.0
172.11169	0.7
173.05913	0.7
173.08440	2.5
173.11827	0.9
174.09065	0.7
175.06261	2.5
176.07193	3.3
176.10756	2.0
177.00685	0.7
177.11443	0.6
178.12288	1.2
186.09119	3.3
187.09854	1.1
188.07123	1.3
188.10722	10.4
189.04349	0.7
198.12729	1.4
199.07671	0.8
200.07085	1.2
200.14275	0.8
202.08612	0.8
204.10262	0.9
205.10988	2.3
212.14436	0.7
240.13884	1.1
244.13391	1.8
255.17624	0.7
258.14996	0.9
270.14835	2.6
272.16382	3.7
273.18567	0.8
282.15018	1.1
291.19531	1.8
296.18814	0.6
378.24347	1.7
382.63614	0.8
383.14059	1.9
383.64316	0.7
396.25278	1.8
399.15405	1.5
399.65656	0.7
406.23904	3.3
414.26553	3.5
416.24200	4.1
424.24835	9.4
432.27582	1.2
442.25900	56.7
443.26093	1.7
443.66910	3.0
444.16846	1.3
459.68018	6.7
460.18866	5.8
460.26956	100.0
460.78107	0.6
461.27048	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	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11699	0.7
52.11993	0.7
53.03940	1.9
55.01853	1.8
55.05514	0.8
57.03431	2.0
57.07074	1.1
58.31590	0.8
61.02911	2.1
67.05491	3.1
69.03430	6.6
69.07043	2.6
70.06588	1.3
71.05006	1.1
71.59389	0.7
73.02911	1.8
78.37951	0.7
79.05494	1.8
81.03413	6.1
81.07059	12.6
82.06586	0.7
85.02898	13.0
86.09731	1.0
87.00828	4.7
91.03950	1.0
91.05479	2.8
93.07037	2.8
94.06554	1.0
95.04970	1.0
95.08598	4.1
96.04478	2.2
96.08179	0.8
97.02894	4.5
97.06514	1.9
97.10133	0.8
99.04455	2.9
105.01870	2.9
105.07023	3.4
107.08580	2.5
109.02878	4.9
109.06535	1.9
109.10132	1.7
111.08080	1.1
117.06987	1.7
119.08565	2.1
121.10157	2.4
123.04430	0.7
123.11701	10.4
124.07613	1.9
127.03909	7.8
129.06970	1.4
131.08568	3.4
133.10130	1.8
136.07544	0.7
137.05980	2.6
138.09135	0.7
138.12781	1.9
140.10678	4.6
144.09314	2.6
145.04941	3.3
147.04384	0.9
147.65918	0.7
149.09615	1.5
154.08643	8.2
159.02895	2.2
159.11682	14.1
163.07608	0.7
166.12282	68.9
167.12651	1.3
176.10744	2.4
177.12706	4.0
189.09082	0.7
194.11752	12.5
194.58228	0.7
205.08730	0.8
208.05453	0.6
212.12814	100.0
213.13133	1.4
217.17749	0.7
218.39334	0.8
221.67953	0.7
225.11217	1.4
238.08618	3.1
252.10193	3.3
253.10976	16.6
254.11745	3.4
298.14185	1.4
299.15009	1.7
309.72687	0.7
460.14618	0.9
460.19608	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	460.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.1
57.03437	2.6
63.40814	1.5
66.19347	1.5
67.05493	4.3
69.03430	6.4
69.07077	1.6
69.14987	1.7
71.59682	1.6
72.08139	1.8
73.02908	1.9
79.05467	2.5
81.03406	4.9
81.07039	3.9
81.77406	1.6
82.86539	1.5
83.04991	2.5
85.02904	21.0
85.06492	1.7
86.09714	3.9
91.05485	4.8
93.07036	2.0
95.08631	1.4
97.02885	6.7
97.06519	2.3
99.04480	8.1
103.03941	17.7
103.74738	1.5
107.08540	2.2
109.02892	6.1
109.10197	2.9
119.04959	2.1
119.08595	1.9
121.10206	1.6
122.06060	2.1
127.03909	22.0
131.08549	2.2
132.03015	1.8
133.06503	2.1
137.05984	6.0
145.04955	11.8
145.10048	1.9
147.04456	4.2
151.78780	1.5
155.06018	14.7
163.06030	24.0
167.06052	2.2
168.06828	2.8
169.07623	28.4
173.06064	1.6
176.72250	1.8
178.32257	1.5
179.05977	9.8
182.06067	1.9
183.05571	14.4
183.09212	2.6
184.07472	2.3
185.07135	6.7
193.07637	9.0
194.06010	2.4
195.05533	15.5
196.06363	12.4
197.07088	22.4
198.05537	4.5
207.05585	6.0
209.07076	2.0
211.08650	4.6
213.06564	19.7
221.07072	15.9
225.06564	31.5
229.06126	18.6
237.02895	2.3
237.06606	5.6
238.07544	2.0
239.04578	3.6
239.08151	20.5
243.07718	4.2
249.06532	8.5
253.06136	2.7
257.05634	6.0
265.06131	2.8
267.07706	14.9
269.05606	2.7
271.07153	30.5
277.06107	9.8
285.08722	28.0
289.09198	2.5
295.07150	27.5
303.95654	1.6
307.10291	4.2
313.08145	25.0
331.09445	7.7
354.10751	1.9
366.15561	1.6
372.22342	1.7
378.11002	2.1
396.12039	3.4
400.11420	35.2
414.13062	7.9
416.24527	2.4
424.11600	5.2
442.12482	54.5
460.13528	100.0
460.26941	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	459.2743
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
52.41943	1.3
53.03935	3.4
55.01859	3.6
55.05511	11.3
57.03428	6.1
57.07071	1.4
63.56964	1.2
65.03923	1.7
67.05182	1.3
67.05514	15.5
69.03423	4.4
69.07075	7.4
69.85140	7.5
71.04980	2.4
79.05505	12.7
81.03429	16.6
81.07063	15.0
83.04993	3.7
83.08601	5.4
85.02913	2.2
86.09721	1.3
91.05473	12.2
93.07054	13.6
95.04975	13.7
95.08629	9.5
97.02879	2.0
97.06544	3.1
97.10172	1.6
105.07038	12.8
107.04962	4.0
107.08614	7.0
109.02881	1.7
109.06490	1.4
109.10155	2.1
111.04453	2.6
115.03964	1.4
115.05469	3.9
117.07034	7.5
119.08627	8.1
121.06502	2.6
121.10151	3.9
123.04474	1.8
123.08123	2.0
125.09672	2.0
127.03867	1.1
128.06224	5.3
129.07030	15.8
131.04965	1.9
131.08578	10.0
133.06473	3.5
133.10150	4.5
135.08069	3.0
135.11720	1.7
137.05975	1.6
137.09656	1.2
141.06998	9.1
142.07761	4.1
143.08549	13.1
145.06483	5.4
145.10155	10.0
147.08028	2.4
147.11716	3.0
149.09637	2.4
153.06981	6.6
154.07779	5.5
155.08556	18.0
156.09325	2.0
157.06500	5.7
157.10139	11.2
159.08054	4.0
159.11705	4.8
161.06049	3.1
161.09636	2.9
163.07570	1.5
165.07008	7.2
165.09131	2.5
166.07782	3.9
167.08566	10.5
168.09288	3.1
169.06462	2.5
169.10141	15.1
171.08054	6.7
171.11728	8.4
173.05972	1.8
173.09621	3.9
173.13271	2.6
175.07581	1.6
175.11209	1.7
178.07828	3.5
179.08588	5.3
181.06445	4.2
181.10129	10.6
182.07349	2.3
182.10811	1.6
183.08136	7.9
183.11697	9.7
185.09613	7.0
185.13223	3.3
187.07526	1.3
187.11151	2.8
191.08591	2.0
192.09416	1.5
193.10152	5.6
193.11868	1.3
195.08025	5.5
195.11655	7.6
196.08830	4.7
197.09607	9.1
197.13274	8.4
199.11200	4.3
201.09126	2.2
201.12666	1.6
203.08426	1.8
205.10161	2.7
207.11725	5.1
209.09677	7.7
209.13197	6.6
210.10402	2.5
211.11246	8.8
211.14804	2.4
213.12820	3.8
215.10718	1.5
218.10927	1.4
219.11769	1.6
221.09637	1.9
221.13319	5.1
223.11177	5.0
223.14793	3.2
224.11832	2.2
225.12785	5.2
227.10744	3.1
227.14366	2.2
229.12210	3.0
235.14848	3.0
237.12776	4.6
237.16479	2.2
239.14291	3.2
241.12305	1.7
243.13829	1.8
247.15004	1.5
251.14310	3.1
253.15906	1.8
255.13852	1.8
257.15494	1.3
257.19122	1.6
265.15762	1.5
295.20758	1.4
300.14816	1.4
303.21060	1.7
307.20667	1.6
313.21799	1.6
321.22195	3.7
323.20276	2.3
325.21606	3.1
331.20575	2.2
337.21625	2.3
339.23309	4.0
349.21597	18.6
367.22705	31.9
385.23865	12.2
399.25635	2.0
423.25238	2.8
429.26413	7.0
438.12750	1.4
441.26379	100.0
442.26797	2.0
445.61340	1.4
459.27451	68.2
460.27704	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	459.347
Annotation	Platanic acid
Peak:m/z	Relative Intensity
55.05500	15.6
57.07061	18.5
67.05518	25.1
68.72667	10.5
69.07053	27.8
69.33633	10.2
79.05495	22.3
81.07071	58.3
81.07456	10.1
83.08607	12.3
86.95375	11.1
91.05486	33.2
93.07051	46.4
95.08608	93.8
105.07049	51.6
107.08590	60.0
109.10166	51.1
117.07022	22.4
119.08576	95.8
120.45885	10.0
121.10144	75.3
123.11710	25.7
127.11234	29.2
131.08571	29.4
133.10144	100.0
135.11702	73.0
137.13307	16.8
145.10118	55.8
147.11670	55.7
149.13246	42.1
151.07562	12.3
159.11691	72.2
161.13242	99.5
163.14799	15.2
166.71486	10.5
173.13287	35.5
175.14792	37.1
177.12761	14.1
185.13351	14.4
187.14754	14.2
189.16431	26.3
191.17955	17.8
201.12831	20.4
201.16354	28.8
203.17943	31.2
207.13835	12.1
217.19530	85.5
395.33051	92.9
413.34225	39.9
423.32498	60.0
441.33563	74.9
459.33368	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	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01865	4.7
55.05266	1.2
55.05514	17.2
56.88249	0.8
57.03427	3.1
59.05007	0.7
65.03931	0.9
67.05171	1.2
67.05505	19.4
68.58629	0.6
69.03415	2.6
69.07066	7.4
71.04988	1.7
71.59247	1.1
75.24429	0.7
77.03949	0.7
79.05495	22.6
81.03419	13.2
81.07058	17.1
83.04981	4.4
83.08619	8.1
85.02915	0.9
85.06536	1.6
91.05482	14.2
93.07046	12.1
95.04976	10.6
95.08601	10.0
97.02911	1.9
97.06522	3.0
97.10165	12.6
105.07036	11.6
107.04959	11.4
107.08595	12.0
109.06521	4.2
109.10147	6.5
111.08098	2.9
115.05457	1.9
117.07030	6.7
119.04911	1.6
119.08586	7.7
121.06505	10.4
121.10147	4.9
122.06038	1.4
123.04424	1.2
123.08091	3.9
123.11691	0.9
125.09624	11.5
128.06203	1.8
129.07031	7.5
131.04919	5.5
131.08569	7.3
133.06471	4.7
133.10135	4.7
135.04485	0.8
135.08052	4.6
135.11673	1.4
137.05998	2.1
137.09604	2.1
141.07031	3.3
143.08632	4.5
143.10677	1.0
144.05711	0.9
145.06488	18.5
145.10101	4.8
147.04431	1.9
147.08047	5.6
147.11694	5.6
149.09630	2.4
153.06950	0.8
153.09113	3.7
153.12805	1.7
155.08546	3.4
157.06537	3.7
157.10127	4.8
159.08084	5.0
159.11684	1.6
161.05991	3.1
161.09657	2.3
163.11191	2.2
165.09140	3.1
165.12749	1.2
167.08621	1.8
169.06522	2.0
169.10121	2.1
171.08078	4.1
171.11702	1.7
173.09618	2.0
173.11842	1.0
173.13266	0.8
175.07571	1.0
175.11209	3.4
175.95728	0.6
177.12828	1.4
179.08546	1.2
181.10158	1.8
182.07330	0.8
183.08078	1.8
183.11699	1.3
184.07378	0.7
185.09644	2.3
185.13297	1.8
187.11183	0.9
189.09338	1.3
189.11224	6.3
189.12737	1.4
193.12268	7.9
195.08055	0.8
195.11714	3.4
197.09567	1.9
197.13332	1.7
199.11241	1.4
200.02022	0.7
203.14336	1.1
205.12257	1.4
207.11676	1.0
209.13318	1.0
211.11201	2.7
211.13300	1.9
213.12807	1.0
215.14337	2.6
217.12202	1.1
223.11200	1.8
223.13208	0.9
225.12741	2.0
227.14323	2.8
231.13800	1.5
233.15324	3.7
235.11075	1.2
237.12830	3.6
239.14378	1.3
241.12088	0.9
241.14331	1.0
243.13860	1.3
245.15359	1.2
249.14909	1.2
251.14299	0.9
255.13788	4.1
257.15311	0.9
259.13190	1.0
271.16989	1.5
273.14877	15.7
281.15390	1.8
287.16513	2.0
293.15363	0.8
299.16446	0.7
311.16483	1.0
321.22110	1.5
331.20300	1.0
339.23190	4.8
349.21622	12.0
350.21475	0.8
357.24170	4.0
367.22675	33.0
368.22931	0.9
379.22763	0.8
385.23743	29.8
386.23837	0.9
395.25677	0.8
403.20108	1.3
403.24713	6.5
405.24307	3.6
423.25272	2.3
423.53284	1.0
429.22272	0.8
441.26337	8.0
459.27411	100.0
460.27289	4.5
465.90381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.5
55.05502	10.9
57.03437	5.0
57.07076	4.5
61.02914	3.7
67.05499	18.5
68.55228	2.7
69.03423	19.0
69.07061	9.0
71.04990	6.3
71.56578	5.5
73.02925	4.1
75.54341	2.6
79.05495	8.9
81.03409	13.4
81.07061	23.6
83.04982	11.5
83.08633	5.2
84.08165	6.5
85.02909	34.9
85.06543	17.5
86.09700	13.5
87.00827	11.7
91.05471	10.5
93.07048	22.7
95.04966	8.6
95.08613	22.1
96.96825	2.8
97.02886	13.5
97.06536	5.1
99.04460	9.8
99.08090	52.1
101.06020	3.1
103.03938	6.2
105.01855	8.8
105.07036	12.8
107.04948	3.7
107.08600	29.0
109.02879	14.3
109.10145	37.2
111.04472	3.1
111.08087	5.7
113.09643	3.1
119.08598	25.0
121.10137	11.7
123.08042	3.2
123.11694	15.1
125.09628	5.8
127.03936	24.7
129.07062	3.4
131.08675	4.6
133.10126	57.2
133.11082	4.4
135.11700	37.5
137.06010	3.4
137.09619	23.7
138.10123	2.8
143.08621	3.1
145.04974	11.6
145.10132	6.0
147.08029	7.0
147.11687	8.3
149.13260	8.6
151.11217	4.9
151.14764	4.6
155.10622	3.9
159.02950	5.1
163.05989	4.2
175.14844	37.7
177.05484	4.3
177.16486	3.3
178.10860	2.7
180.51576	3.4
191.14307	5.3
193.15900	100.0
211.16945	52.2
365.02695	3.5
373.18149	5.6
415.19373	15.3
459.18118	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
53.87346	2.9
54.06664	2.6
55.01866	5.4
55.05513	18.2
55.56867	3.0
57.03436	5.6
57.07053	3.6
59.33147	2.6
61.01132	3.0
61.07830	3.0
67.05497	21.5
69.03438	16.5
69.03749	4.2
69.07078	17.5
69.87278	17.9
70.06590	16.1
71.04980	6.8
79.05479	11.2
81.03396	13.4
81.07060	24.3
83.04969	10.8
83.08591	5.1
84.08135	11.1
85.02901	16.2
85.06555	3.7
86.09695	5.5
87.00824	7.5
87.32633	2.9
91.05472	11.6
93.07049	18.2
94.06537	2.7
95.04954	6.5
95.08612	30.5
97.02882	6.2
97.06518	4.4
97.10191	3.4
98.20853	6.0
99.04450	4.9
99.08115	4.6
100.11275	5.1
105.01870	4.3
105.07039	9.8
107.04933	4.5
107.08598	29.5
108.08877	3.6
109.02854	12.8
109.06481	14.5
109.10160	100.0
111.08086	7.0
115.05495	3.2
116.93203	3.0
117.07056	3.7
118.06854	3.1
119.04971	4.4
119.08592	33.6
121.10128	12.0
122.05969	4.3
123.08066	13.5
123.11691	10.1
125.09679	7.7
127.03918	20.2
131.08595	4.9
133.09233	4.8
133.10135	45.0
134.10461	10.6
135.08032	4.3
135.10733	7.9
135.11702	86.1
137.05969	10.2
137.09622	28.1
138.09984	4.7
139.10152	3.8
139.11168	3.8
145.04958	3.7
147.04424	8.6
147.11702	6.4
149.13263	7.6
151.11156	11.0
151.14810	12.6
153.12735	3.2
165.09131	3.2
175.14848	43.1
191.14314	12.3
192.14665	7.1
193.15932	58.8
211.16930	93.2
441.19357	5.1
459.22162	14.8
459.27536	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	459.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29315	0.6
52.45970	0.6
53.03932	0.9
53.05262	0.7
55.01868	1.3
55.05499	2.0
57.03424	0.6
57.07066	0.9
59.71035	0.6
61.02913	0.6
65.61002	0.6
67.05490	0.9
69.03435	3.6
69.07086	1.7
69.42859	5.8
70.06576	1.5
71.45190	0.6
72.08158	2.6
79.05492	1.2
81.03415	2.8
81.07063	2.0
82.12287	0.7
83.04976	2.2
84.08122	1.1
85.02896	4.4
85.06543	0.8
86.09702	4.8
87.00813	0.9
91.05486	2.0
93.07034	1.0
95.04993	0.9
95.08617	2.4
97.02877	2.0
97.06516	1.4
99.04488	1.2
105.07043	1.8
107.04978	1.7
107.08602	1.6
109.02890	2.5
109.06500	1.0
109.10156	1.7
111.04440	1.7
116.98605	1.1
119.08581	1.0
121.06499	0.9
121.10121	1.4
123.95808	0.6
127.03909	3.4
129.10278	0.7
133.10133	2.6
135.11726	1.0
145.04951	0.9
145.10056	0.8
147.04457	1.9
153.12740	0.9
159.02931	0.8
164.10722	1.3
165.11035	0.8
166.27315	0.7
175.14757	0.7
193.15846	1.5
209.15440	1.5
210.11276	1.7
211.11398	1.6
211.11702	1.1
211.13216	4.5
246.14983	1.1
355.17239	1.0
373.18298	9.2
397.18069	1.6
415.19370	26.4
427.18961	0.8
441.17291	1.0
459.18390	100.0
459.35321	8.3
460.18771	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01870	3.0
55.05512	4.8
57.07080	2.6
59.04985	2.2
61.02914	2.8
61.59266	1.6
67.05501	10.9
69.03429	7.8
69.07056	8.5
69.35661	1.7
69.76875	1.7
70.06597	2.2
70.73148	5.4
71.04987	3.0
79.05483	4.1
81.03416	5.5
81.07053	14.5
83.04987	6.7
83.08604	3.3
85.02895	8.4
85.06538	2.7
91.05478	2.6
93.07043	7.1
95.08608	20.3
97.02896	3.9
97.06559	2.4
97.10169	2.3
99.08102	2.0
105.07035	4.0
107.08559	10.8
109.02917	2.8
109.06519	5.6
109.10159	62.4
109.10911	3.5
111.08109	2.1
119.08585	21.7
121.10107	8.4
123.08089	9.6
123.11736	7.1
125.09590	2.3
127.03925	4.9
128.00412	1.9
133.10127	17.7
135.11694	60.7
135.12721	3.9
137.09628	13.6
147.11693	2.7
149.13295	3.8
151.11179	7.2
151.14819	5.3
165.12981	1.6
165.16425	2.6
175.14847	27.5
179.27498	1.7
193.15883	40.8
197.11740	3.0
211.16936	100.0
212.17296	2.8
266.06204	2.1
285.92126	1.9
331.81717	1.7
363.59705	2.3
387.40237	2.0
415.19321	17.4
459.18430	41.9
459.27158	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	458.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
53.24176	0.2
55.01857	0.7
55.05510	0.4
57.03436	3.4
57.07073	11.3
60.80948	0.2
61.02893	0.4
67.05486	0.6
69.03430	1.9
69.07062	0.4
70.06586	0.5
70.99231	0.3
70.99574	0.4
71.01347	2.9
71.04995	0.4
72.76350	0.2
73.02913	4.3
75.04470	0.4
78.03441	1.0
78.82427	0.2
79.05479	0.7
80.04612	0.3
80.05021	2.2
81.03394	0.6
81.07058	1.0
83.01329	0.6
83.04962	0.7
83.08595	0.3
85.02901	9.8
85.06541	10.4
86.03230	0.3
86.09696	0.8
87.04464	0.3
91.05468	0.5
93.07046	0.5
95.01324	2.3
95.04969	0.6
95.08588	0.7
96.04507	1.7
96.08916	0.3
97.02878	2.1
97.06526	0.4
99.00807	0.6
99.04458	0.4
99.08123	0.3
101.02352	1.4
103.03934	1.0
103.07574	3.0
105.01853	0.3
105.07008	0.6
106.02914	5.8
107.04935	0.2
107.08572	0.9
108.08896	0.7
109.02875	0.5
109.06503	0.5
109.10133	1.0
110.06062	0.2
110.85609	0.2
113.02357	4.0
113.03118	0.3
117.07037	0.2
119.08586	0.4
121.06492	0.3
121.10139	1.5
122.06007	0.3
122.10462	0.6
123.00793	0.3
123.11731	0.3
124.03948	100.0
125.04268	1.0
125.09610	0.6
127.03915	0.5
131.03410	3.1
131.08580	0.2
133.10143	1.6
134.10472	1.1
135.08060	0.7
135.11749	0.3
135.82285	0.3
136.08392	0.3
137.05984	0.7
137.09586	1.2
138.09956	0.6
140.11566	0.2
141.01819	4.6
145.04893	0.3
147.04364	0.3
147.11670	0.5
148.12030	0.4
149.05899	0.3
149.09628	0.3
149.13257	0.7
150.09993	0.4
150.13583	0.5
151.03931	0.3
151.11185	2.5
152.11533	1.8
159.02882	1.8
159.10161	29.2
163.14830	0.5
164.15105	0.6
166.13196	0.2
169.04951	0.3
173.13338	0.3
174.13579	0.7
180.06548	6.3
180.08028	0.5
191.14308	2.5
192.14644	3.3
197.04442	0.3
198.07610	12.8
201.11287	0.3
209.15364	2.7
210.15681	3.4
213.11031	0.2
215.05550	0.6
264.12375	0.6
282.13351	34.0
283.13684	0.7
300.07260	0.3
335.13300	3.5
356.10052	0.4
360.16443	0.5
374.10846	2.1
458.16638	7.3
458.24777	0.8
459.17163	0.4
462.23438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29315	0.6
52.45970	0.6
53.03932	0.9
53.05262	0.7
55.01868	1.3
55.05499	2.0
57.03424	0.6
57.07066	0.9
59.71035	0.6
61.02913	0.6
65.61002	0.6
67.05490	0.9
69.03435	3.6
69.07086	1.7
69.42859	5.8
70.06576	1.5
71.45190	0.6
72.08158	2.6
79.05492	1.2
81.03415	2.8
81.07063	2.0
82.12287	0.7
83.04976	2.2
84.08122	1.1
85.02896	4.4
85.06543	0.8
86.09702	4.8
87.00813	0.9
91.05486	2.0
93.07034	1.0
95.04993	0.9
95.08617	2.4
97.02877	2.0
97.06516	1.4
99.04488	1.2
105.07043	1.8
107.04978	1.7
107.08602	1.6
109.02890	2.5
109.06500	1.0
109.10156	1.7
111.04440	1.7
116.98605	1.1
119.08581	1.0
121.06499	0.9
121.10121	1.4
123.95808	0.6
127.03909	3.4
129.10278	0.7
133.10133	2.6
135.11726	1.0
145.04951	0.9
145.10056	0.8
147.04457	1.9
153.12740	0.9
159.02931	0.8
164.10722	1.3
165.11035	0.8
166.27315	0.7
175.14757	0.7
193.15846	1.5
209.15440	1.5
210.11276	1.7
211.11398	1.6
211.11702	1.1
211.13216	4.5
246.14983	1.1
355.17239	1.0
373.18298	9.2
397.18069	1.6
415.19370	26.4
427.18961	0.8
441.17291	1.0
459.18390	100.0
459.35321	8.3
460.18771	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
55.40759	1.0
60.27068	1.0
69.03424	3.1
70.06583	3.5
71.24152	1.0
71.56508	1.5
71.56877	1.1
72.08160	1.3
79.05481	1.4
81.03402	2.0
81.07063	2.5
83.04987	1.1
85.02917	4.5
86.09703	2.8
91.05479	2.9
93.07021	2.0
95.04965	1.9
95.08596	2.5
97.02898	2.6
98.97585	1.4
99.04436	1.3
105.01905	1.1
105.07027	2.4
105.56092	1.1
107.08621	1.9
109.02905	2.7
109.10141	2.9
119.08578	3.5
121.06519	1.1
121.10125	1.6
127.03927	2.8
131.18672	1.1
133.10149	1.9
134.04619	1.5
135.11684	2.3
137.09604	2.3
147.16594	1.1
152.07083	1.5
158.20947	1.0
159.11743	2.1
182.04941	11.2
193.15898	7.1
195.13614	3.6
201.03781	1.3
203.05258	2.1
203.07275	1.2
208.02873	12.3
211.13129	2.4
218.37732	1.1
220.89224	1.2
243.04758	4.7
245.06349	3.1
253.12926	3.4
263.07370	1.8
271.14197	1.4
287.03735	58.5
289.05298	17.8
315.10397	3.5
327.08688	8.6
347.09613	1.8
373.18042	1.1
397.14676	6.1
399.12488	5.8
403.20511	1.7
415.19498	9.6
459.13531	19.4
459.19333	100.0
460.18652	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	458.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
53.24176	0.2
55.01857	0.7
55.05510	0.4
57.03436	3.4
57.07073	11.3
60.80948	0.2
61.02893	0.4
67.05486	0.6
69.03430	1.9
69.07062	0.4
70.06586	0.5
70.99231	0.3
70.99574	0.4
71.01347	2.9
71.04995	0.4
72.76350	0.2
73.02913	4.3
75.04470	0.4
78.03441	1.0
78.82427	0.2
79.05479	0.7
80.04612	0.3
80.05021	2.2
81.03394	0.6
81.07058	1.0
83.01329	0.6
83.04962	0.7
83.08595	0.3
85.02901	9.8
85.06541	10.4
86.03230	0.3
86.09696	0.8
87.04464	0.3
91.05468	0.5
93.07046	0.5
95.01324	2.3
95.04969	0.6
95.08588	0.7
96.04507	1.7
96.08916	0.3
97.02878	2.1
97.06526	0.4
99.00807	0.6
99.04458	0.4
99.08123	0.3
101.02352	1.4
103.03934	1.0
103.07574	3.0
105.01853	0.3
105.07008	0.6
106.02914	5.8
107.04935	0.2
107.08572	0.9
108.08896	0.7
109.02875	0.5
109.06503	0.5
109.10133	1.0
110.06062	0.2
110.85609	0.2
113.02357	4.0
113.03118	0.3
117.07037	0.2
119.08586	0.4
121.06492	0.3
121.10139	1.5
122.06007	0.3
122.10462	0.6
123.00793	0.3
123.11731	0.3
124.03948	100.0
125.04268	1.0
125.09610	0.6
127.03915	0.5
131.03410	3.1
131.08580	0.2
133.10143	1.6
134.10472	1.1
135.08060	0.7
135.11749	0.3
135.82285	0.3
136.08392	0.3
137.05984	0.7
137.09586	1.2
138.09956	0.6
140.11566	0.2
141.01819	4.6
145.04893	0.3
147.04364	0.3
147.11670	0.5
148.12030	0.4
149.05899	0.3
149.09628	0.3
149.13257	0.7
150.09993	0.4
150.13583	0.5
151.03931	0.3
151.11185	2.5
152.11533	1.8
159.02882	1.8
159.10161	29.2
163.14830	0.5
164.15105	0.6
166.13196	0.2
169.04951	0.3
173.13338	0.3
174.13579	0.7
180.06548	6.3
180.08028	0.5
191.14308	2.5
192.14644	3.3
197.04442	0.3
198.07610	12.8
201.11287	0.3
209.15364	2.7
210.15681	3.4
213.11031	0.2
215.05550	0.6
264.12375	0.6
282.13351	34.0
283.13684	0.7
300.07260	0.3
335.13300	3.5
356.10052	0.4
360.16443	0.5
374.10846	2.1
458.16638	7.3
458.24777	0.8
459.17163	0.4
462.23438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05500	1.8
67.05507	3.0
68.73137	0.5
69.03432	7.4
69.07054	2.0
69.48073	4.7
69.48486	1.4
70.06602	0.9
73.02914	0.8
74.15201	0.5
79.05492	4.7
81.03405	2.5
81.07057	8.5
83.04990	2.2
83.08635	0.7
83.84486	0.6
85.02900	3.3
86.09708	0.9
87.00833	1.1
91.05482	5.9
93.07057	3.7
94.37696	0.6
95.04971	1.8
95.08613	2.4
97.02882	2.7
97.06561	1.0
99.04448	1.0
103.47093	0.6
105.01850	2.2
105.07050	6.3
107.04956	4.7
107.08598	19.0
109.02893	2.4
109.06507	3.5
109.10157	5.4
110.48971	0.5
111.08051	0.7
115.05441	0.7
116.98634	0.8
117.07053	2.1
119.08569	3.2
121.06481	2.4
121.10151	9.1
122.07281	4.4
123.08052	1.0
125.05973	0.7
127.03913	3.9
131.08586	3.0
133.10130	100.0
134.10471	1.1
135.08049	7.8
135.11700	1.5
137.05905	0.9
137.09618	55.9
143.08496	1.0
143.31212	0.7
145.04977	1.3
145.10141	1.8
147.04414	0.8
147.11684	1.7
149.09615	3.8
149.13258	8.7
151.11206	0.9
158.10907	1.4
163.11174	0.6
163.14833	2.6
165.09152	1.5
173.13277	6.8
191.14308	58.1
192.14598	1.0
209.15340	6.2
231.04900	1.1
287.62418	0.7
385.16040	0.8
405.86942	0.7
421.18668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62249	0.9
51.37366	1.2
53.03942	3.3
53.31972	1.1
55.01880	3.2
55.05502	4.6
57.03429	4.3
57.07072	9.0
59.05002	1.6
60.50967	1.0
61.02927	2.0
63.86951	1.1
67.05511	7.1
69.03431	15.5
69.07079	8.4
70.06601	2.5
71.01355	2.1
71.04987	3.1
71.59361	2.2
72.08173	1.4
73.02910	5.1
79.05518	8.0
80.05029	3.3
81.03419	9.9
81.07060	12.8
83.04981	9.3
83.08617	3.0
85.02909	23.4
85.06541	10.0
86.09705	8.3
87.00836	3.6
91.05486	7.2
93.07056	9.0
95.01334	1.9
95.04975	6.2
95.08607	16.7
96.04504	2.0
97.02895	7.5
97.06540	4.5
99.04460	5.0
99.08109	5.5
101.02398	1.3
103.03957	5.2
103.07608	2.0
104.10718	2.3
105.01863	2.6
105.07043	8.8
106.02926	4.0
107.04981	4.6
107.08602	34.2
109.02862	5.9
109.06532	10.2
109.10163	17.6
111.08102	2.6
113.02348	2.3
115.05457	1.5
117.07014	3.0
119.08575	6.6
121.06519	5.0
121.10149	31.2
122.06067	1.5
122.07289	5.1
123.08075	4.6
123.11726	3.3
124.03960	85.3
125.09652	8.5
127.03920	12.4
131.03391	1.8
131.08557	5.8
133.10138	85.4
134.10446	1.3
135.08070	17.1
135.11667	5.5
137.05995	3.0
137.09625	56.2
139.11224	3.4
141.01822	3.9
143.08553	1.5
145.04956	5.6
145.10135	4.9
147.04419	2.3
147.11667	9.9
149.09595	11.8
149.13261	19.3
151.11191	51.7
153.09091	1.4
158.10938	3.6
159.02934	2.2
159.10202	20.1
163.05969	2.6
163.11234	1.1
163.14842	10.1
165.09082	5.3
165.12766	3.6
173.13286	17.1
177.05539	1.5
180.06543	3.1
184.07368	2.8
185.16515	1.5
189.12605	1.5
191.14319	100.0
192.14622	1.6
198.07622	9.3
209.15382	77.9
231.04874	2.1
253.55537	1.1
282.13388	17.7
296.17468	1.1
335.13461	1.9
457.24557	2.5
458.16571	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01864	1.7
55.05518	2.2
55.05737	0.6
57.03430	1.7
61.02908	1.5
65.03949	0.5
67.05491	1.4
68.99791	0.7
69.03072	0.8
69.03428	9.5
69.07066	2.7
70.06579	1.3
70.77443	1.1
70.77818	1.0
71.04982	1.5
73.02912	1.2
79.05489	1.7
81.03422	6.1
81.07050	2.4
83.04972	3.1
83.08620	0.6
85.02418	0.9
85.02907	11.2
85.06550	1.1
87.00841	4.4
91.05478	2.5
93.07049	3.9
95.04962	1.1
95.08622	4.3
97.02889	4.8
97.06530	1.2
99.04466	2.2
99.08082	2.0
105.01870	3.8
105.07029	3.6
107.04922	0.6
107.08601	8.4
109.02869	6.1
109.06510	2.1
109.10142	2.5
111.04452	0.5
111.08082	1.6
117.01809	0.8
119.08575	3.2
119.86747	0.5
120.08131	0.6
121.06508	1.2
121.10140	9.0
123.08101	2.4
123.11655	0.7
124.07579	0.4
125.02496	0.5
125.09622	4.5
127.03918	9.8
127.06428	0.5
129.01869	0.8
131.08568	2.2
133.10115	4.0
135.08037	8.1
135.11662	1.7
137.05957	1.2
137.09622	5.2
145.02930	0.6
145.04970	2.5
145.10138	1.0
147.11688	1.8
149.09619	100.0
149.13213	4.1
150.10052	0.9
151.11174	2.6
152.61462	0.4
153.09102	1.6
154.93961	0.5
158.10968	0.7
159.02875	2.6
159.11758	0.5
163.11183	1.3
163.14835	2.1
165.12726	2.2
167.10684	0.7
169.01329	0.5
173.09602	0.6
173.13271	5.9
177.05478	0.8
191.14308	37.3
192.14595	0.8
203.26942	0.5
209.15367	51.4
210.15536	0.5
213.03883	0.6
231.05013	1.9
295.16431	0.6
413.17612	1.6
439.19675	1.5
457.16531	2.8
457.21533	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76220	0.8
53.03937	1.4
55.01860	2.5
55.05515	1.8
57.03428	1.5
57.07079	1.8
61.02922	1.9
67.05501	2.1
69.03430	38.3
69.07065	6.6
69.52757	6.1
71.04990	2.3
71.08624	0.9
71.72336	0.8
73.02895	0.9
77.19991	0.8
79.05494	2.5
81.03431	4.1
81.07057	6.0
83.04970	4.3
83.08621	1.5
85.02895	17.7
85.06550	1.5
87.00821	7.6
91.05466	4.0
93.07047	7.4
95.04951	1.6
95.08612	8.4
96.96016	1.0
97.02903	6.6
97.06521	3.4
98.21478	1.6
99.04451	2.8
99.08106	0.9
101.02368	0.8
105.01866	4.7
105.07019	4.5
107.08593	13.9
107.91548	0.7
109.02891	6.1
109.06546	5.3
109.10157	2.8
111.08073	1.9
117.07041	1.2
119.03419	2.1
119.08597	4.8
121.06507	5.2
121.10140	10.9
122.06015	0.9
123.08067	4.3
123.11688	3.8
125.09630	14.7
127.03898	9.7
128.04262	0.8
131.08565	5.2
133.10121	6.5
134.18991	0.9
135.08054	11.5
135.11670	4.4
137.05991	1.2
137.09601	2.8
143.08546	1.8
145.04991	4.4
145.10133	3.1
147.11682	12.1
149.09612	8.5
149.13243	5.9
150.10405	1.2
151.04076	0.9
151.11211	2.3
153.09114	6.2
158.10925	3.3
159.02895	3.3
161.09636	1.6
163.11197	2.8
163.14821	4.3
165.09113	4.5
165.12787	2.8
173.13245	16.3
176.11967	1.5
191.14302	100.0
192.14633	1.4
209.15359	93.4
224.02306	0.9
231.05066	2.0
259.07407	1.1
260.07800	1.4
410.95004	0.8
457.24393	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98456	0.5
53.03940	0.5
55.05504	1.7
57.07063	0.8
65.03935	0.6
67.05500	2.2
69.03427	5.0
69.07063	1.7
69.49891	1.7
69.50315	2.7
74.46221	0.5
79.05497	4.1
81.03426	1.0
81.07062	6.0
83.04990	1.2
83.08621	0.8
85.02901	2.1
87.00833	1.1
91.05485	5.4
93.07039	3.6
95.04961	1.9
95.08597	1.4
97.02879	1.6
98.20771	1.0
99.04451	0.5
105.01866	1.0
105.07039	6.4
105.79597	0.5
107.04939	2.8
107.08599	16.7
109.02891	1.1
109.06519	3.9
109.10175	4.4
115.05465	1.2
117.07029	2.3
119.08585	2.7
121.06512	1.2
121.10152	10.9
122.07280	4.9
123.08090	1.3
123.11722	0.5
127.03899	3.1
131.08572	2.3
133.10136	100.0
134.10468	1.2
135.08051	6.7
135.11662	0.9
137.09621	50.6
138.10036	0.6
143.08501	0.7
145.04950	0.8
145.10056	0.9
147.11684	1.4
149.09608	1.3
149.13261	11.4
158.10915	1.1
163.14833	1.5
173.13271	5.7
191.14314	51.2
209.15381	4.6
231.05162	0.8
335.18735	0.7
421.18231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1124
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03938	4.3
55.01852	2.8
55.05496	2.0
56.96556	1.7
57.03447	8.7
59.04990	3.3
61.02918	2.0
67.05493	1.3
69.03432	17.0
69.07048	1.8
70.06575	5.6
71.01365	1.3
71.04997	10.5
71.59118	2.2
73.02909	3.8
81.03419	23.2
81.07036	2.2
83.04961	1.4
85.02912	8.7
85.06561	1.2
86.09717	2.7
87.00833	1.1
87.04455	1.3
87.05591	3.6
87.09198	1.9
91.05453	3.2
91.94113	1.2
93.07036	2.9
95.04956	3.6
95.08611	2.0
97.02879	3.4
98.98472	17.1
99.04469	11.8
105.07027	4.7
107.04971	1.7
107.08596	2.0
109.02868	4.2
109.06518	1.0
112.07555	1.6
116.98647	1.5
117.05502	9.2
117.07053	1.5
119.04939	1.0
119.08583	6.4
121.10130	3.7
123.08096	1.5
123.11678	1.3
127.03939	5.3
131.08507	3.0
133.10124	2.8
134.99644	1.6
135.08093	1.4
135.11632	2.0
137.05898	1.7
140.07021	1.7
140.99509	1.4
141.73398	1.2
143.08510	2.4
145.07588	2.6
145.10098	2.1
147.04399	1.4
147.09131	2.3
147.11609	1.3
149.09564	1.8
149.13249	3.0
150.07777	1.3
150.96822	1.6
152.07011	1.4
159.09155	5.0
159.11639	1.7
161.13245	4.8
162.96841	1.9
172.08687	19.5
173.07111	4.2
173.13243	3.6
175.08704	2.1
177.00720	1.5
180.06531	2.2
181.04459	1.1
184.08640	2.0
185.10728	1.4
189.12701	1.5
190.09770	1.0
191.06813	1.2
191.14363	7.8
197.10899	1.0
198.06670	5.2
198.10229	1.9
200.08199	2.8
201.09354	1.1
209.15349	2.5
209.52145	1.0
214.09721	2.6
216.07678	21.1
217.16063	1.2
218.09251	2.9
219.07518	1.8
224.11787	2.9
228.11438	1.5
229.08507	2.0
231.09784	1.7
243.08794	50.1
244.07013	1.8
244.09189	1.8
257.10202	1.1
270.12744	1.1
277.19092	1.9
279.11453	1.4
285.09705	1.6
295.17004	2.1
297.09808	2.2
316.12869	2.0
323.11227	2.3
330.15552	1.0
334.09479	2.1
337.07303	6.5
341.12497	9.7
349.07404	2.2
355.08017	1.1
359.13492	34.0
360.13873	1.5
377.14468	4.0
396.09592	7.0
397.07983	2.1
414.10651	12.6
421.09103	6.9
439.10156	100.0
440.09833	3.9
457.11060	46.3
457.16617	4.0
457.21201	3.1
458.11176	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05505	0.6
57.03414	0.5
57.80569	0.4
61.02937	0.6
67.05507	0.7
68.05019	0.9
68.98325	0.4
69.03434	1.7
69.07054	0.8
70.06594	100.0
71.06926	1.1
71.56603	0.7
78.05858	0.5
81.03418	2.1
81.07056	1.1
82.56880	0.5
83.05003	0.7
84.04491	0.6
84.08138	0.5
85.02918	1.8
91.05486	1.0
95.08620	0.7
97.02892	1.3
97.06546	0.6
98.97603	0.9
99.04465	0.6
103.03954	0.8
104.94749	0.4
105.07059	0.5
107.08584	0.8
109.02886	4.9
109.10164	0.7
112.07609	82.9
113.07943	0.5
116.07100	2.0
116.98613	0.9
121.10170	0.5
123.04311	0.5
123.08064	0.5
127.03915	1.9
133.10124	0.9
135.08000	0.5
137.05997	0.6
140.07068	53.6
145.10228	0.5
149.01231	0.7
149.09605	0.5
158.08148	7.5
164.07094	0.7
173.13120	0.8
177.05478	0.6
179.03423	1.3
191.14348	1.4
209.15331	0.6
230.10153	0.6
252.09322	1.2
252.59587	1.2
261.09824	1.7
261.60172	1.4
262.07349	0.6
266.10242	3.3
284.11288	7.3
302.12375	1.0
385.08047	0.6
394.22076	1.0
403.09119	0.5
456.17960	0.7
457.16577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01884	1.3
57.03437	3.0
61.02927	2.9
67.05495	1.3
69.03436	16.9
69.07050	1.6
70.06586	7.4
71.04994	5.7
71.58918	1.3
73.02917	4.1
81.03422	15.4
81.07066	1.3
83.04992	1.4
84.08102	1.2
85.02909	66.8
86.09708	1.9
91.05478	3.6
95.04979	2.4
97.02898	32.6
97.06520	7.8
98.97627	1.5
99.03838	2.6
99.04463	37.6
103.03947	78.9
104.04978	3.0
105.65864	1.2
107.08606	2.1
109.02879	18.9
112.07616	5.5
114.66843	1.0
115.03951	2.9
117.06934	1.2
119.08581	1.7
123.04470	1.4
123.36600	1.1
123.93195	1.1
127.03925	100.0
127.11098	1.1
128.04289	1.7
132.04459	49.9
133.06424	1.2
133.10143	1.6
137.06004	9.1
140.07024	3.1
143.03430	1.6
145.04967	59.5
147.04422	2.6
150.05501	5.4
162.05588	1.6
163.06026	39.7
163.07385	2.3
164.07080	5.8
169.05016	1.3
175.11650	1.1
177.07840	2.9
179.06992	1.1
180.06554	6.7
187.06009	6.0
189.09067	4.0
205.07039	3.1
209.15456	1.2
210.07608	2.0
219.42191	1.1
233.11685	7.5
250.14417	5.7
253.06967	1.4
271.08115	8.0
274.17816	1.5
287.90933	1.3
289.09265	3.7
302.17426	1.6
306.81442	1.4
307.10135	3.5
320.18564	1.8
353.51886	1.2
394.22195	10.3
438.18109	1.7
438.24924	5.1
456.18448	12.9
462.31577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08126	1.2
53.03949	8.3
55.01867	8.6
55.05507	3.7
57.03431	5.7
59.05005	2.2
61.02925	8.8
67.05503	7.6
68.99796	2.9
69.03430	28.7
69.07071	3.9
69.82499	1.3
70.35475	1.3
71.04997	6.7
71.56413	2.1
73.02916	6.8
79.05499	6.2
79.43637	1.2
81.03423	33.7
81.07060	12.1
83.04980	3.2
83.08645	2.2
85.02911	58.3
85.06512	1.6
86.09708	1.6
87.00841	16.6
91.03957	3.1
91.05487	11.2
93.07034	6.8
95.04962	3.4
95.08611	6.7
97.02896	20.4
97.06528	3.9
99.04463	13.1
99.08141	1.8
100.11269	2.2
105.01847	11.9
105.07035	17.9
107.04937	2.4
107.08569	6.5
107.42702	1.6
109.02885	29.0
109.06557	7.0
109.10165	5.3
115.05493	1.7
117.01854	4.0
117.07026	3.6
119.08590	71.0
121.06508	2.0
121.10151	3.8
122.06061	4.0
123.04531	1.4
123.11713	1.4
125.05967	1.6
125.09622	1.9
127.03924	44.2
128.06200	1.7
129.01849	2.8
129.07022	2.5
130.07742	2.0
131.08574	10.1
133.06468	6.9
133.10135	6.8
137.05974	3.3
137.09595	2.5
143.08569	3.9
145.04977	17.9
145.10123	23.1
147.02927	1.6
147.04451	3.1
147.08066	5.7
147.11688	30.1
147.12785	2.1
148.07649	1.5
148.25035	1.6
149.09628	2.4
155.08525	2.1
156.09337	21.1
159.02895	18.0
159.11729	4.3
161.09662	2.2
161.13254	17.4
165.09108	2.1
171.11690	48.8
171.13144	2.5
172.12132	1.7
173.11945	1.3
173.13345	2.0
189.12753	100.0
190.13049	3.2
191.08595	2.4
191.16364	2.5
193.12140	1.4
202.07881	1.6
203.08713	1.9
207.13814	47.6
207.15736	2.6
213.04103	2.2
219.08087	3.7
231.05006	7.1
231.07996	7.8
237.09250	2.0
247.07544	25.0
257.05823	1.9
265.08618	6.2
269.12454	3.2
275.07034	71.6
275.19949	1.6
276.07355	4.4
337.79819	1.7
411.20139	2.6
426.09396	1.3
437.12473	1.9
437.17767	1.8
455.17944	3.0
455.23474	7.0
455.31982	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.01862	4.7
55.05502	4.8
56.96560	3.9
57.03429	5.9
61.02914	4.8
67.05502	3.6
68.19489	1.9
68.99768	2.0
69.03131	2.4
69.03439	26.4
69.07055	3.8
70.06589	7.7
70.26448	5.0
71.04987	8.4
73.02905	3.9
79.05486	2.5
81.03420	27.1
81.07044	6.5
83.04955	4.2
85.02906	48.4
86.09724	2.6
87.00829	19.4
91.05485	8.5
93.07037	5.8
95.04980	3.1
95.08603	3.4
97.02893	23.3
97.06525	4.0
98.97596	8.5
99.04480	12.9
103.03940	7.2
105.01875	13.1
105.07027	21.1
107.08592	7.7
109.02883	21.7
109.10140	3.7
116.07117	2.5
116.98604	4.6
117.07050	2.6
119.04935	6.8
119.08588	37.7
121.06467	3.8
121.10149	6.1
127.03922	46.9
128.98647	3.8
129.01816	3.8
129.07002	6.2
131.07031	2.3
131.08583	10.5
133.06514	8.5
133.10136	20.7
134.99638	3.1
135.08064	2.5
135.11726	2.4
140.07098	3.3
141.06889	2.5
142.07819	3.0
143.08568	5.5
145.04959	18.5
145.10103	12.7
146.05328	3.3
146.99632	3.0
147.04362	6.8
147.08058	5.0
147.11732	11.3
149.09647	4.2
153.12714	2.7
156.06511	2.5
156.09363	8.9
159.02888	12.6
159.08116	2.6
159.11649	4.1
161.09586	2.3
161.13264	21.1
163.06058	4.8
163.11304	3.2
171.11714	13.2
173.13217	3.0
187.11223	3.9
189.03728	2.4
189.12747	100.0
191.14302	23.6
205.12288	2.5
207.13803	32.0
219.01741	2.7
231.05061	6.5
237.02838	7.8
237.16341	2.2
263.05328	5.1
287.04266	3.7
296.03928	2.3
333.17419	3.1
340.91855	2.3
395.06308	2.7
413.07413	5.1
455.14911	4.2
461.14685	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	455.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.9
55.01874	6.7
55.05510	7.6
57.03438	5.5
57.03656	1.1
61.02924	5.0
67.05495	2.3
68.99779	3.2
69.03429	36.8
69.07059	4.7
70.99793	2.9
71.04983	4.4
73.02914	8.3
79.05502	6.3
80.12050	1.0
81.03418	38.4
81.07041	3.8
83.01340	1.1
83.04966	1.9
84.52139	1.0
85.02905	49.0
87.00826	21.2
91.03936	2.9
91.05474	9.9
93.07043	12.9
95.04974	3.4
95.08617	5.9
97.02897	18.1
97.06546	1.9
99.04460	16.3
103.05511	1.6
105.01857	11.8
105.07030	63.0
107.08595	12.4
109.02885	34.8
109.06495	2.9
113.58983	0.9
117.01832	3.3
117.07013	4.2
119.08582	65.7
120.06133	1.1
120.08933	1.0
121.06484	1.0
121.10132	8.9
123.08113	1.2
127.03913	46.9
128.06265	1.7
129.01816	3.5
129.07010	1.5
130.07733	1.7
131.08586	7.6
133.06479	4.0
133.10117	13.0
133.56870	1.1
135.08052	2.5
137.05992	1.2
137.09607	2.7
143.08585	7.1
145.04964	12.6
145.10132	16.4
146.10391	1.0
147.02882	2.7
147.08046	2.9
147.11664	12.2
149.09625	12.7
156.09346	6.2
159.01672	1.6
159.02892	17.3
159.11679	7.0
161.09575	4.0
161.13260	100.0
162.13557	1.9
171.11691	11.5
173.13252	1.7
179.10666	3.2
179.14322	5.1
185.13271	1.7
189.12746	44.9
191.14328	1.7
204.69418	1.2
207.13782	6.6
213.03929	2.9
231.05011	10.5
239.06218	1.0
294.62881	1.0
337.73679	1.1
455.18951	11.8
478.34113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.2
53.71012	1.2
55.01888	1.4
55.05511	7.6
57.03433	3.5
57.07074	2.4
59.04994	3.0
61.02930	2.0
65.03936	2.0
67.05506	18.0
68.99818	1.3
69.03434	14.8
69.07084	3.4
70.06601	2.0
71.04987	3.6
73.02912	2.2
73.06572	1.4
73.78690	1.1
79.05511	4.9
81.03423	13.6
81.07057	6.8
83.04976	7.1
85.02917	18.1
85.06553	10.2
86.09691	1.6
87.00845	5.1
91.05497	10.4
93.07063	9.4
95.04990	7.2
95.08612	57.1
96.08950	1.4
97.02896	8.9
97.06549	3.5
99.04463	6.6
99.08105	1.8
103.03960	2.7
105.01892	3.6
105.07033	17.9
107.04977	2.8
107.08595	11.2
109.02887	14.5
109.06517	8.5
109.10183	5.7
111.04456	2.7
112.07625	2.5
113.06017	7.4
117.07028	1.7
119.04974	1.9
119.08594	25.3
121.06542	5.0
121.10160	11.4
122.07330	1.3
123.08076	21.3
125.02370	1.4
125.09705	1.8
127.03928	20.4
128.06238	1.6
129.07045	1.8
131.08595	4.3
133.06497	6.5
133.10138	14.0
135.08090	3.9
135.11697	9.5
137.06035	4.3
137.09636	33.2
143.08626	3.0
145.02896	1.2
145.05008	3.0
145.10173	5.0
147.04462	1.7
147.08063	8.0
147.11691	8.0
149.05975	1.5
149.09634	44.2
151.07585	5.8
151.14841	2.3
156.09370	2.9
159.02943	2.7
159.08070	5.8
159.11754	2.7
160.08798	1.8
161.09622	2.8
161.13268	28.1
163.07535	1.4
163.11185	12.8
165.09119	1.3
165.12830	5.3
169.04939	1.3
171.11659	7.4
174.10446	12.5
177.05562	3.1
179.14355	2.5
187.06114	1.7
187.11162	2.4
189.12759	80.8
190.13094	1.7
191.14375	4.6
205.12225	1.7
207.13814	100.0
208.14267	3.0
225.14828	5.7
261.14636	1.7
275.13962	2.7
293.15030	2.9
338.06564	1.2
351.17847	1.2
354.23953	2.8
369.19031	1.7
437.18140	4.1
455.19638	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	455.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01870	3.2
55.05514	7.2
56.13510	1.3
57.03432	4.1
60.06618	1.4
61.02926	4.0
65.03942	1.3
67.05504	2.5
68.99783	1.9
69.03431	16.4
69.07061	6.4
70.06591	6.7
71.04994	6.8
71.05508	3.1
73.02898	1.7
79.05505	5.5
81.03411	15.3
81.07057	6.1
83.04984	3.6
84.04508	1.7
85.02424	2.4
85.02908	28.7
85.03378	2.8
87.00830	8.8
90.68235	1.4
91.05479	9.4
91.97501	1.4
93.07053	6.1
95.04966	4.4
95.08607	4.8
97.02894	9.7
97.10172	3.0
98.97573	1.8
99.04456	6.3
103.03959	1.9
103.05455	2.3
105.01859	4.0
105.07027	27.3
105.53259	1.7
107.08576	7.6
109.02879	15.2
109.06519	2.5
112.07630	1.6
115.03960	1.4
116.98646	1.6
117.07016	13.4
119.04904	1.7
119.08578	36.2
121.06554	2.8
121.10147	4.7
124.07590	4.7
124.76787	1.4
127.03928	27.5
128.06198	2.4
129.07008	5.4
130.07758	2.2
131.08568	13.9
133.06497	5.7
133.10121	13.1
134.99706	1.6
135.08052	2.8
135.11630	1.8
137.05962	1.7
140.07108	2.2
141.07162	1.6
142.07765	2.0
143.08571	14.5
145.04968	6.2
145.10118	15.5
147.04411	2.5
147.08078	6.5
147.11678	14.7
149.06007	1.6
151.07607	2.4
155.08600	2.2
156.09348	8.3
157.10123	2.3
158.10884	2.3
159.02975	3.6
159.11703	10.5
161.13257	52.4
163.11206	9.3
163.14839	4.8
164.07014	2.0
170.08078	3.1
171.11714	21.6
173.13277	15.6
175.11264	1.7
177.00705	2.1
180.06601	1.8
189.12743	100.0
190.13113	1.6
191.14314	10.9
201.12737	2.4
207.13805	87.4
214.83746	1.7
217.12164	1.9
225.14786	9.5
231.05061	4.8
231.14006	1.6
232.47189	1.5
237.02783	1.8
247.13892	1.7
257.12805	3.5
275.13858	3.9
293.11984	1.8
293.15100	2.8
294.16959	2.1
437.16776	2.4
455.12622	5.2
455.19586	3.8
456.23022	1.7
468.15588	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.03429	2.0
57.07077	21.7
62.06092	26.9
67.05505	3.4
69.07073	3.4
69.33484	12.3
71.08630	12.5
71.50505	1.2
81.07058	6.5
83.08612	2.5
85.10184	7.9
87.10614	1.2
90.04856	1.1
95.08604	7.5
97.10168	2.4
98.00595	1.0
98.20699	2.2
98.98463	4.6
109.10188	4.8
123.11755	2.0
155.01044	6.2
198.05301	2.4
216.06371	3.0
239.23732	1.6
248.84955	1.4
282.27948	11.0
313.27368	100.0
314.27554	2.0
322.64645	1.2
393.23950	4.8
397.29251	1.3
436.28159	5.1
454.28897	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.07077	32.9
63.87556	0.8
67.05486	1.0
69.07056	1.5
70.23060	2.9
71.08633	27.6
72.58465	0.8
73.06560	6.1
79.05498	1.3
79.91387	0.7
83.08614	2.3
85.10184	22.5
87.04466	2.0
89.06031	100.0
91.07616	1.0
97.10175	3.9
99.11743	4.1
107.07059	4.3
113.13266	1.2
117.09129	2.4
118.38680	0.8
130.08635	5.0
132.25877	0.9
133.08600	49.4
155.17911	4.0
156.41891	0.8
161.11736	0.9
177.11234	21.2
195.12190	1.8
199.20570	2.5
221.13885	2.3
229.78508	0.9
239.14848	3.3
240.23242	2.0
243.23232	10.9
283.17508	19.5
287.25864	5.4
313.27365	1.3
349.29446	1.1
419.32025	0.9
437.34766	32.8
438.35098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30566	0.4
54.51914	0.4
62.50272	0.5
69.46821	1.6
69.47245	2.8
81.03413	0.7
96.61097	0.5
97.18592	0.6
101.00904	1.0
112.89609	100.0
119.01904	3.7
124.55154	0.4
131.01903	1.9
143.01891	2.8
145.03455	0.9
147.01425	0.6
155.01888	5.1
157.03484	1.0
161.02954	5.2
173.02948	11.6
185.02969	6.3
197.02975	1.4
203.04028	4.8
215.04117	0.9
221.05098	4.1
227.04057	0.9
245.05066	10.4
263.06168	1.2
275.02533	2.4
275.06177	1.8
293.03574	6.6
293.06726	0.8
304.94724	0.6
305.07187	1.6
335.08444	0.5
365.09427	1.7
381.07898	1.1
455.11725	75.4
456.11804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18176	0.8
53.03941	4.5
55.01880	4.7
55.05511	4.5
55.21401	1.0
55.66711	1.1
57.03439	6.0
61.02921	1.7
67.05498	2.7
68.99786	1.4
69.03082	1.4
69.03430	22.7
69.07071	5.7
69.37282	1.4
69.37690	7.8
70.06568	1.6
71.01357	0.9
71.04977	3.1
73.02905	4.0
79.05475	3.2
80.08684	1.0
81.03416	19.0
81.07034	5.1
83.04974	2.5
83.08626	2.0
84.04484	1.2
84.08143	1.4
85.02905	30.0
85.06516	1.1
86.09712	1.3
87.00829	10.6
87.04464	1.7
91.03938	1.3
91.05479	8.7
93.07039	8.8
95.04963	2.6
95.08608	5.9
97.02891	12.3
97.06543	2.7
98.97561	1.4
99.04460	7.4
100.11234	1.4
101.02393	1.2
103.05442	1.0
103.28513	0.8
105.01848	6.1
105.07030	34.4
107.08583	9.3
109.02872	19.2
109.06503	2.5
109.10162	1.8
115.03876	1.0
117.01830	1.7
117.07017	2.4
119.04907	5.6
119.08580	37.5
120.08860	1.0
121.06482	1.9
121.10141	5.2
123.08077	2.8
125.09612	2.1
127.02983	1.5
127.03916	27.0
127.11153	2.4
128.11501	1.1
129.01830	1.4
129.06998	1.1
131.04947	1.0
131.08560	5.8
133.06487	2.5
133.10138	14.0
135.08023	1.1
135.11707	2.3
137.05965	1.9
140.07056	1.1
143.08530	3.4
145.02892	1.1
145.04984	7.8
145.10129	13.2
145.12210	3.0
146.12604	1.1
147.02881	1.5
147.04388	3.2
147.08051	2.5
147.11691	14.5
149.09628	7.9
151.07442	1.7
156.09334	4.0
159.02867	7.3
159.08073	3.3
159.11694	3.9
161.03021	1.0
161.09584	2.6
161.13246	46.9
163.11169	3.8
163.14874	1.2
169.01434	1.1
171.11703	7.8
173.13243	1.4
174.10420	9.8
177.05435	1.4
177.12704	1.1
178.05002	6.7
179.10651	1.0
179.14232	2.4
189.12746	100.0
190.13113	1.6
191.14290	6.1
207.13820	16.8
213.03978	1.8
231.04976	6.4
275.19772	1.5
329.44519	0.9
332.67191	0.9
455.19009	6.8
455.34555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.80746	0.7
55.05505	3.3
55.79443	0.8
56.12347	0.7
57.03442	6.9
57.07080	22.0
62.06091	1.1
66.41792	0.7
67.05505	4.4
69.07072	4.0
69.92721	4.2
71.08632	15.1
79.05508	1.3
81.07059	7.6
83.08623	3.5
85.10191	9.2
89.06019	1.7
93.07034	1.3
95.08614	8.4
97.06586	0.8
97.10181	2.3
103.07609	1.3
109.10169	4.4
119.14309	0.8
123.11723	1.7
185.43118	0.7
239.23674	0.9
257.24808	1.4
269.12488	1.1
282.27908	27.9
306.06262	0.7
313.27371	100.0
314.27719	2.3
455.21680	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	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83389	0.9
56.96537	0.7
57.03436	6.6
57.07077	30.6
57.21111	0.7
59.71132	0.9
61.02916	0.8
67.05492	1.7
69.03433	1.2
71.00731	1.7
73.02921	1.1
80.40340	0.8
85.02911	5.3
85.06548	34.2
85.50336	0.7
85.75356	0.8
95.01328	1.6
103.03943	1.0
103.07585	8.1
113.02395	1.4
122.06052	1.8
127.03881	1.4
131.03418	0.9
131.68263	0.9
141.01801	4.0
145.04993	0.9
159.02945	1.1
159.10172	100.0
160.10616	1.1
177.05440	1.1
177.11250	1.4
182.15425	0.8
184.07240	0.9
210.72701	0.8
235.42287	0.7
243.15924	30.8
261.09686	2.3
261.17157	1.2
314.96652	0.8
325.12332	0.8
335.13400	2.3
366.38263	0.8
454.27118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61213	1.9
53.03939	6.1
55.01864	6.0
55.05513	13.0
56.58340	2.4
56.96562	3.6
57.03437	60.9
61.02922	5.1
67.05506	9.6
69.03432	27.0
69.07066	17.8
70.06577	5.1
70.50577	4.2
70.50959	3.7
71.04993	4.4
73.02915	9.2
73.06561	11.9
79.05491	5.3
80.78397	2.0
81.03409	25.4
81.07061	8.3
83.04982	13.4
83.08627	8.6
84.04523	4.8
84.08118	2.6
85.02908	44.7
87.00837	11.1
87.04449	3.1
91.05479	11.7
93.07040	11.9
95.04955	3.9
95.08614	5.5
97.02902	16.5
97.06537	11.7
99.04472	12.0
100.11247	23.2
101.02339	2.5
101.06030	5.1
101.11591	8.2
103.03953	3.1
105.01874	10.4
105.07044	30.1
107.04970	5.5
107.08592	8.6
109.02861	21.4
109.06554	2.5
109.10163	5.1
111.04431	3.1
111.08065	2.6
115.05473	2.1
115.07513	2.6
117.07023	4.4
117.09151	12.8
119.04952	5.5
119.08598	30.5
121.02847	4.5
121.10152	6.3
123.08028	2.4
127.03915	38.5
127.11199	68.5
127.12133	4.0
131.08580	5.0
133.06502	3.1
133.10078	11.3
137.05949	7.0
143.08537	3.3
145.02866	2.7
145.05002	13.9
145.10292	5.2
145.12241	100.0
147.04364	4.8
147.11668	10.7
149.09624	5.1
153.12769	4.1
156.09344	3.5
159.02910	8.8
159.08124	3.6
159.11693	2.9
161.06075	2.8
161.13260	32.8
163.03859	3.1
163.06071	2.6
163.11235	3.9
171.11716	6.5
171.13788	19.4
174.10437	4.4
177.05429	3.3
182.15398	7.1
183.15727	2.9
189.12772	62.9
189.14883	12.7
191.14275	4.3
207.13844	7.3
209.16545	4.4
210.14980	4.3
210.16872	5.5
211.15297	6.2
213.03929	3.2
220.58217	2.1
220.62947	2.4
226.19223	3.1
231.05008	6.9
244.26222	2.5
259.09650	2.3
392.44186	2.6
411.27432	2.7
436.23724	2.8
436.33633	7.6
453.34338	4.3
454.24152	7.5
454.34637	43.4
455.19684	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	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.96556	1.3
57.03439	7.4
57.07076	35.4
58.07394	0.9
61.02918	1.8
67.05495	3.4
69.03442	1.5
69.07055	1.8
70.06583	1.7
71.59304	1.4
73.02923	1.6
79.05484	2.2
81.03414	2.2
81.07044	3.3
83.08633	1.0
85.02909	7.9
85.06546	36.9
86.09703	2.8
88.07640	1.5
91.05484	2.1
93.07072	1.4
94.06566	1.5
95.01350	2.4
95.08605	1.6
97.02901	1.8
97.06544	1.3
100.11262	1.4
102.09134	1.0
103.07593	7.6
105.07018	2.2
109.02881	2.3
109.10190	1.7
112.07607	1.2
113.02335	1.7
119.08493	1.7
122.06015	4.5
123.49445	1.1
127.03918	3.6
131.03445	1.6
141.01797	3.3
145.05048	1.2
149.02345	2.2
159.10173	100.0
169.08621	1.1
177.05481	2.3
184.07408	2.7
200.20052	3.1
243.15926	27.1
261.09708	2.8
261.17075	1.5
285.10007	1.9
335.13510	2.1
354.63742	1.0
377.11768	2.7
381.71698	1.0
400.50757	1.0
405.11667	1.3
454.27670	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	454.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
56.96554	1.7
57.03447	2.8
67.05495	6.1
69.03439	12.1
70.06569	2.4
71.04993	5.9
71.18351	3.6
71.18672	2.0
73.02914	4.7
79.05499	3.0
81.03423	13.0
81.07066	11.3
82.07450	1.6
83.04985	3.3
85.02908	56.7
85.03430	2.7
85.06569	3.4
87.04415	1.7
89.00286	2.0
91.05471	2.2
93.07045	4.0
95.04959	8.3
95.08565	2.2
97.02895	31.4
99.04456	43.1
103.03947	70.3
105.06989	3.2
107.08605	6.6
107.64425	1.6
109.02881	18.6
110.46308	1.5
113.06009	38.6
115.03986	2.2
125.09628	2.3
127.03920	100.0
131.07056	26.7
133.10097	2.4
135.11699	4.3
145.04959	58.0
153.12782	8.2
163.06026	58.4
169.04955	2.7
171.13873	1.9
187.06033	5.8
205.07024	2.2
224.33498	1.8
239.12822	3.2
246.54066	1.8
253.07155	2.7
255.66902	2.0
271.08170	14.2
289.09189	13.8
307.10141	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	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13906	1.2
53.03944	7.7
54.75744	1.1
55.01868	10.1
55.05503	10.5
57.03442	11.7
57.07072	1.8
59.76479	1.6
61.02921	7.9
67.05504	8.6
68.99797	2.8
69.03429	40.7
69.07069	4.5
70.23484	5.2
71.04993	19.3
71.08628	20.7
73.02909	10.1
79.05521	1.5
81.03415	35.5
81.07063	4.3
83.04985	2.5
83.08620	9.5
85.02903	100.0
85.06529	2.1
87.00830	40.5
87.01354	3.0
91.03949	2.3
91.05441	1.8
93.07057	1.3
95.04980	1.3
95.08604	1.8
97.02888	40.8
97.06570	2.0
98.20683	1.4
99.04446	16.3
99.08093	35.3
100.07650	1.5
100.11262	21.0
101.11578	1.7
105.01862	49.8
105.07011	1.9
107.08599	2.2
109.02879	41.8
109.06535	1.3
109.10152	36.6
111.04465	3.2
115.03942	1.9
117.01865	3.9
119.08580	3.8
126.09141	2.2
127.03915	77.9
127.11176	19.9
129.01843	3.1
137.05978	1.6
140.07082	1.8
145.04955	34.8
145.12234	98.5
147.02902	3.3
147.04388	5.3
147.11699	3.3
153.12726	4.3
159.02878	19.5
169.12186	1.4
171.11717	3.0
171.13785	16.0
173.17548	1.2
182.15396	22.9
183.15797	1.4
189.03978	2.6
189.12791	5.9
189.14880	33.9
207.13811	4.4
209.16508	4.6
210.14883	18.0
211.13313	2.1
211.15250	1.8
213.03922	7.1
227.17514	2.3
231.04987	22.8
235.13342	4.3
249.06068	4.3
253.14473	4.5
255.15967	3.1
276.12631	1.4
276.72821	2.2
279.15955	3.6
339.14487	3.8
340.76147	2.2
357.15433	14.3
375.16522	9.5
401.17844	1.5
419.19009	4.1
436.32269	2.2
453.84360	1.9
454.32739	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	454.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52692	1.7
53.03933	5.3
55.05523	2.5
56.96555	2.4
57.03438	3.5
57.12877	1.6
59.04996	1.8
61.02924	3.5
67.05487	6.6
69.03430	13.9
69.07052	4.1
70.06583	4.7
70.18258	7.8
71.04997	8.8
73.02908	5.2
78.22964	1.6
79.05491	2.2
81.02983	1.8
81.03424	17.8
81.07051	14.5
83.04974	3.9
85.02905	64.5
85.06551	3.2
86.09709	2.5
87.04481	2.0
88.95990	1.5
91.03937	1.8
91.05482	3.6
93.07032	10.5
95.04993	7.5
95.05486	1.5
95.08594	2.7
97.02892	31.9
97.06523	3.7
98.21404	2.2
98.97597	2.8
99.04456	35.9
99.43385	1.4
103.03944	65.6
105.07055	3.1
107.08569	9.2
109.02889	20.8
111.90153	1.5
113.06007	37.4
116.98676	1.8
119.08593	3.4
121.06536	1.6
122.06119	2.0
123.08060	1.5
124.07518	2.4
125.09681	2.3
127.03921	100.0
131.07042	32.7
134.99632	1.9
135.11702	10.1
136.44884	1.6
137.05940	3.0
145.04967	72.3
147.04378	1.8
152.05713	1.7
153.12767	16.0
163.06023	64.5
164.07104	1.8
171.13826	2.6
177.05502	5.4
187.05995	3.4
205.07156	3.0
235.75932	1.6
237.02727	3.2
239.12813	7.3
251.08435	2.0
253.07111	1.7
260.09171	5.1
261.09811	2.0
262.05002	3.1
271.08075	16.8
280.89093	1.4
289.09140	13.7
307.10236	20.1
342.63284	1.6
436.22461	1.7
454.20114	2.3
455.15277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89548	0.7
56.96574	4.4
57.03432	1.4
61.02915	1.4
65.03941	0.8
67.05471	1.0
69.03429	6.4
69.07053	1.5
70.52115	2.7
71.04990	1.5
71.17663	0.8
73.02911	1.0
79.05494	0.9
81.03413	4.3
83.04970	1.4
85.02905	10.9
88.03977	1.0
89.03912	1.5
91.03965	0.9
91.05468	2.2
95.04972	1.4
97.02902	3.8
99.04454	1.6
103.03960	0.8
105.07022	1.2
106.06577	1.0
107.04964	1.0
107.08579	1.1
109.02884	3.8
110.05973	1.1
111.86680	0.7
116.98606	1.2
117.03359	1.2
119.04929	1.1
120.08102	1.3
121.10146	0.8
123.04403	1.2
124.07567	3.5
127.03935	4.6
130.05582	1.2
130.06531	20.6
134.04489	3.2
135.04401	3.8
136.03897	1.3
137.02338	2.3
137.05937	2.0
138.09149	4.6
140.07057	2.6
143.07240	1.0
144.08092	4.1
145.02824	1.9
147.04398	3.7
151.03787	0.8
152.07034	2.0
154.04982	5.9
154.08627	3.1
159.11729	1.1
161.01181	0.9
163.03911	13.0
164.04222	1.1
168.06612	0.8
172.07613	5.1
172.11153	1.0
179.02182	0.9
188.10750	1.1
189.00731	1.0
196.06007	2.3
200.07028	1.1
200.10751	2.7
213.10074	1.0
215.11800	1.1
217.13242	1.4
218.11708	2.2
227.08134	2.2
227.11784	2.4
228.10225	11.0
231.11330	1.4
237.00735	4.2
237.02815	0.9
238.08673	1.1
241.09808	1.2
242.10526	3.2
243.11256	4.3
244.12177	3.8
245.12849	8.1
246.11276	5.0
255.01773	5.0
255.11324	3.2
256.09659	1.4
261.12555	0.9
273.02789	4.9
273.12378	13.4
274.10709	5.8
291.13382	100.0
292.11597	1.7
333.10620	1.1
393.05075	1.6
411.05746	1.9
426.33160	1.1
429.07031	9.2
430.07034	1.1
435.17725	1.3
447.08813	0.9
452.08948	0.8
453.07666	1.4
453.18613	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	452.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01863	1.0
55.05513	1.7
57.03445	5.6
59.05009	1.1
60.89086	0.9
60.96703	0.9
67.05517	1.2
68.99783	1.6
69.03436	11.4
69.07057	4.1
71.04987	1.9
71.08637	38.2
71.55801	1.3
73.02911	1.5
81.03427	8.3
81.07050	1.1
83.08620	1.4
85.02908	12.2
85.36340	0.9
87.00822	1.8
90.68729	0.9
91.05484	1.2
93.07081	1.8
95.93266	1.2
97.02900	15.0
99.04455	3.4
99.08099	100.0
101.02391	17.5
107.08556	1.4
109.02886	9.9
110.99896	1.0
119.03423	74.4
127.03913	16.4
129.12761	10.1
131.03395	2.8
145.04994	5.1
155.14383	1.3
173.04465	4.5
173.15388	70.0
184.07397	1.0
227.05450	1.5
245.06604	4.5
255.15895	2.1
258.40921	0.9
263.07648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01859	2.7
55.05517	2.8
57.03443	5.4
57.07065	1.7
61.02935	10.2
69.03084	1.3
69.03433	18.7
69.07072	5.9
71.04993	2.5
71.08640	2.3
71.58405	1.5
72.25117	0.8
73.02917	3.4
77.33283	1.0
81.03426	8.8
81.07068	1.6
83.01334	1.0
83.08631	4.6
85.02910	100.0
86.32043	0.9
87.04473	1.8
91.03967	6.6
95.08617	1.1
97.02899	27.9
97.10182	4.2
99.04443	4.7
109.02895	7.3
111.11710	3.4
125.13237	1.7
127.02995	1.2
127.03934	27.3
145.04973	41.7
163.06009	4.9
180.08626	1.2
184.07350	1.4
227.23695	13.0
268.26401	1.5
280.26376	17.3
452.32870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21776	0.8
53.03927	1.3
55.01857	1.3
55.05509	15.1
57.03433	6.2
57.07072	14.0
61.02920	1.7
67.05518	4.6
69.02197	0.9
69.03423	3.0
69.07056	1.9
69.41642	9.4
70.04066	1.7
71.04980	1.4
72.08147	1.0
73.02895	2.0
76.15231	1.0
79.05491	2.8
81.03385	2.1
81.07056	2.6
83.04980	100.0
84.05306	1.4
85.02902	5.8
85.06546	17.0
87.04461	2.9
91.05491	2.3
93.07040	2.4
95.01321	2.3
95.04958	3.2
95.08553	1.3
97.02888	2.6
97.06523	3.3
99.04462	1.1
101.06008	4.5
103.07573	3.4
105.07023	1.7
107.08576	1.2
109.02876	1.8
109.10155	1.2
113.02383	3.0
114.06628	5.6
122.06019	5.5
123.04420	2.2
127.03920	3.2
131.04909	1.2
133.10138	1.3
135.04404	1.8
137.05977	2.4
138.06236	1.0
138.09174	2.0
141.01805	5.6
154.08646	3.1
155.06955	1.2
157.08607	36.8
159.10165	45.2
163.03918	6.5
163.06059	0.9
164.04213	3.6
167.07030	2.0
169.15849	1.4
177.05377	1.4
177.11205	3.4
183.06548	2.7
184.07132	2.9
185.62270	0.9
215.88937	1.0
223.06204	1.0
239.11743	1.2
241.14333	23.5
259.08023	27.1
260.10086	5.9
261.09799	1.9
268.51315	0.9
274.73676	1.0
279.11557	1.0
291.12262	1.6
333.11853	2.3
335.13400	2.1
375.16150	1.5
383.11301	1.1
452.16815	1.9
452.67023	1.1
453.24326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
53.27556	0.4
53.67574	0.4
55.01861	1.2
55.05500	0.5
55.21018	0.4
57.03426	1.0
61.02917	1.5
67.05483	1.1
69.03432	3.6
69.07074	1.9
70.13821	1.7
71.04973	0.6
79.05486	2.2
81.03410	1.8
81.07057	0.6
85.02901	8.1
89.03906	0.5
91.05479	0.6
95.04921	0.5
97.02888	2.8
97.06532	19.6
98.16534	0.3
98.21474	0.4
98.37434	0.4
99.04440	0.8
105.07029	0.7
106.15041	0.3
107.04939	0.6
107.08578	0.6
109.02873	1.3
117.03411	0.4
121.10175	0.7
127.03889	2.5
133.10033	0.4
135.04393	1.2
145.02872	0.7
145.04944	1.5
159.04391	1.1
161.02319	3.9
163.03893	7.6
173.02354	6.5
187.07619	0.4
205.10043	0.7
205.29674	0.4
215.07018	7.5
215.08653	3.0
218.07426	0.7
221.56413	0.4
233.09676	2.5
241.08434	0.4
242.07227	0.9
243.08070	20.0
247.07652	0.7
259.09677	25.1
261.09076	3.4
271.07550	9.6
289.08591	100.0
290.08908	1.2
318.30457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42810	0.5
52.15121	0.5
53.03923	0.9
55.01870	0.8
55.05480	0.6
56.96561	1.0
57.03428	0.8
61.02919	1.2
65.03927	0.6
67.56052	0.5
68.99778	1.0
69.03428	3.1
70.06599	0.6
71.00484	1.5
71.04964	0.7
73.02906	0.7
74.00661	1.6
81.03414	1.5
83.04984	1.2
85.01131	1.0
85.02905	9.3
86.09696	0.7
89.68103	0.5
91.03981	0.6
91.05473	1.1
95.04962	1.1
97.02912	3.0
99.04478	0.6
109.02874	1.7
111.04459	1.9
113.00583	2.1
114.06538	0.5
119.04925	0.9
120.01165	2.1
123.04401	0.7
125.02266	0.9
127.02119	2.9
127.03918	9.3
131.01619	2.1
137.02332	2.0
137.05974	0.8
139.03889	1.8
141.00084	4.0
141.05438	1.1
144.06439	0.6
145.04976	1.7
147.04399	4.8
152.07108	0.6
155.01566	3.2
155.03392	21.9
158.00287	1.3
159.01042	0.6
166.06505	0.6
168.99632	2.6
169.04962	3.6
170.05685	0.7
171.06659	0.9
173.02678	1.6
183.01126	7.6
185.99811	11.9
201.02170	100.0
202.02466	1.2
243.06557	3.7
271.80060	0.5
272.09174	4.1
273.07629	0.9
290.06934	19.7
290.10028	0.9
341.11151	0.6
377.15259	0.7
435.15540	0.8
452.12347	2.2
452.17862	2.0
452.24683	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20364	0.3
50.35059	0.3
53.03947	0.5
55.01854	1.1
55.05515	1.4
55.21472	0.3
56.94918	0.3
57.03426	1.0
58.76324	0.2
58.76654	0.2
60.21586	0.3
61.02909	0.8
67.05514	2.4
69.03426	2.0
69.07072	2.0
71.04972	0.4
72.52911	0.2
73.02898	0.3
74.37979	0.3
79.05495	2.7
81.03396	1.3
81.07068	1.4
83.04996	0.5
83.08625	0.3
85.02908	4.6
86.09672	0.3
87.04423	0.4
89.03886	0.4
91.03917	0.4
91.05473	1.3
92.04984	0.6
93.05791	0.3
93.07032	1.0
94.06560	0.8
95.04980	1.4
95.08585	0.9
97.02908	1.8
97.06531	12.6
97.10146	0.7
99.04424	0.7
103.03983	0.3
105.07036	1.0
107.04943	0.4
107.08603	1.1
109.02869	1.2
109.06541	0.3
109.10138	0.9
110.06027	1.0
111.06369	0.3
113.03458	0.3
117.03374	0.5
117.06992	0.5
119.04920	0.3
119.08557	0.5
120.08089	0.3
121.02840	0.3
121.10107	0.8
122.06002	1.4
125.02337	0.3
125.09618	0.8
127.03902	1.9
129.06952	0.3
131.08553	0.5
133.10158	0.4
135.04419	1.5
135.08034	0.6
135.11681	0.4
137.05969	0.5
138.09108	0.3
143.08490	0.3
145.02849	1.2
145.04993	1.0
145.06476	0.4
145.10121	0.7
146.35254	0.3
147.04388	0.4
147.11601	0.3
153.53958	0.3
159.04350	0.3
161.02316	1.5
161.13174	0.3
163.03902	7.0
163.11151	0.4
166.08643	0.7
173.02345	3.7
184.07312	0.5
189.06979	0.3
189.12859	0.4
205.10138	0.9
205.12154	0.3
205.15916	1.6
207.13847	0.5
208.15784	0.3
215.06850	4.0
215.08641	1.7
218.07219	0.5
219.08083	0.3
226.07826	0.4
233.09624	5.9
242.07281	1.6
243.08043	3.4
247.07744	0.3
259.09671	18.2
261.09100	1.3
271.07510	4.9
283.12167	0.5
283.62366	0.6
289.08582	100.0
290.08966	3.3
312.62738	0.4
313.13339	0.7
313.63458	0.9
341.21066	0.7
358.14719	0.7
359.22153	3.4
373.65817	0.4
374.16061	2.1
381.64578	0.3
433.25775	1.1
451.13895	0.4
451.26825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	3.0
56.96577	7.4
57.03433	5.5
59.84578	3.5
61.02932	5.6
62.87462	2.8
64.91322	2.8
69.03420	13.2
70.06593	4.8
70.86128	8.3
71.04996	3.9
73.02917	4.9
74.45512	3.0
79.05466	4.1
81.03424	8.6
84.08152	3.7
85.02914	42.1
86.09692	4.6
90.37794	3.4
91.05483	6.0
97.02883	18.2
98.97574	6.0
99.04455	5.7
101.00868	4.9
107.04917	4.1
109.02848	5.1
116.98602	4.4
119.01917	36.7
119.04958	5.2
121.06485	17.5
126.05537	3.9
127.03928	12.4
128.98619	3.1
131.01881	21.2
133.03474	12.4
134.03633	3.3
136.06218	4.5
137.02933	11.9
137.05956	16.9
138.06314	7.8
138.09152	4.7
143.01939	8.4
145.03488	11.0
145.04970	13.0
147.05197	5.5
149.02917	6.9
149.06598	4.5
150.05498	7.0
151.04561	4.1
152.05855	3.7
152.07091	8.5
154.08614	7.2
155.01917	13.2
157.03496	6.9
159.05022	4.5
161.02937	23.6
161.05452	5.3
161.06650	10.5
163.04518	4.6
164.07048	3.9
170.05067	6.3
171.01408	4.8
173.02980	18.4
173.06598	10.0
175.00795	3.7
175.04469	8.3
177.05721	3.9
179.07655	5.9
185.06612	18.3
187.08061	4.1
189.02461	12.3
189.06125	4.6
191.03967	4.4
191.07678	9.4
201.02553	4.3
201.06009	3.9
203.04025	10.9
203.07605	26.5
209.22581	3.0
215.04144	6.9
215.07690	13.4
217.01904	3.3
219.07281	4.8
221.05051	19.3
223.01367	3.3
227.07625	9.2
231.07213	4.2
235.06764	5.1
241.57455	3.8
242.07796	4.5
243.03630	5.1
245.05072	13.4
245.09001	4.1
250.58060	6.0
251.08217	10.3
275.09790	14.6
284.11127	6.2
287.09686	6.7
293.07501	5.5
293.10709	28.0
295.07196	4.1
303.09143	5.2
305.03375	5.9
305.10797	33.1
321.10107	11.6
323.11865	10.8
335.04083	4.9
389.16989	4.9
391.03366	4.7
391.11206	4.7
423.13901	4.8
434.12225	9.2
451.04855	100.0
451.11771	5.1
451.19492	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16938	0.7
67.82201	0.8
69.84691	2.6
69.85123	2.4
80.66446	0.8
89.56055	0.7
161.36446	0.9
182.91135	0.8
203.72253	0.8
221.29855	0.7
274.16153	0.9
391.02924	1.1
451.04858	100.0
452.05219	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	449.1082
Annotation	Quercitrin
Peak:m/z	Relative Intensity
51.66245	0.5
53.03930	0.6
55.05497	1.9
56.96560	0.8
57.03188	0.8
57.03437	9.3
58.06594	0.4
61.02919	0.8
65.03950	0.5
67.05489	2.1
68.99789	0.6
69.03410	1.7
69.07066	0.9
70.06581	0.7
71.04996	12.5
71.59785	0.6
73.02915	5.8
75.04482	22.0
79.05482	1.0
81.03407	1.7
81.07034	1.6
83.04980	2.8
85.02907	58.2
85.06528	0.5
86.03233	0.6
86.09653	0.7
87.04457	2.2
91.05464	1.4
93.07037	1.8
95.04955	1.5
95.08587	1.7
97.02894	1.3
97.06535	1.8
99.04432	1.0
99.08113	0.5
101.06017	0.5
105.07032	1.9
107.04977	0.5
107.08599	1.2
109.02886	1.5
109.10159	1.8
111.00771	0.7
111.04431	2.2
111.08115	0.5
116.98637	0.5
119.04939	0.6
119.08566	1.0
121.02843	0.5
121.06452	0.8
121.10167	1.3
122.06001	1.1
125.06017	0.8
125.09607	0.6
127.03909	2.9
129.05499	6.9
129.06918	0.6
131.08542	0.7
133.10152	0.5
135.11745	0.6
136.07587	4.4
137.02364	2.4
137.06000	1.4
143.08501	0.5
145.10139	0.8
147.04395	0.9
147.06525	2.8
147.11636	0.5
152.07101	1.1
153.01813	4.2
157.10196	0.5
159.11668	0.7
161.13264	0.5
163.03928	0.6
163.11223	1.5
164.07065	4.7
165.01837	1.4
166.02536	0.6
171.11703	0.5
177.05473	1.0
181.04973	1.1
183.02887	1.0
195.02956	0.6
201.05481	1.0
215.14302	0.5
229.04971	3.4
234.11957	0.7
255.11249	0.7
257.04398	2.0
269.12985	0.6
273.50006	0.5
274.04639	0.6
285.03839	1.3
287.05594	1.8
287.13867	2.7
303.05002	100.0
304.05481	2.5
305.05530	0.5
337.33649	0.5
431.23077	0.7
449.16403	0.6
449.22760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03937	0.3
55.05500	0.2
57.03426	0.7
61.02929	6.2
67.00745	0.1
67.01873	0.1
68.99785	0.7
69.03432	1.2
69.40749	1.3
70.06572	0.1
71.04996	0.4
72.08153	0.2
73.02927	1.6
79.05489	0.2
81.03410	0.6
83.01325	0.1
84.04494	0.5
85.02910	6.3
86.09708	0.3
91.03963	3.5
91.05495	0.2
93.07043	0.2
95.04965	0.3
97.02893	3.2
99.04444	0.2
101.02391	0.2
105.03374	0.4
105.07017	0.2
107.04944	0.5
109.02859	0.6
109.10184	0.1
111.00789	0.8
111.04442	0.2
111.59583	0.1
113.22305	0.1
115.03920	0.2
119.08589	0.2
119.83945	0.1
121.02876	3.2
121.06477	0.1
124.07592	0.4
127.03915	1.0
129.05429	0.1
133.02838	0.4
135.04436	0.2
136.07571	1.4
137.02351	1.0
145.02847	2.8
145.04903	0.8
145.06523	0.1
147.04416	0.6
152.07036	0.4
153.01828	4.2
157.06464	0.4
161.05995	0.2
162.05482	0.4
164.07104	1.5
165.01837	1.7
169.06433	0.2
171.04407	0.3
183.02878	0.9
185.05975	0.5
189.05420	0.3
203.07068	0.2
213.05496	1.6
229.04918	0.2
231.06511	0.8
241.04929	0.8
243.06398	0.2
258.05237	1.1
259.05972	0.5
269.04565	0.2
274.07016	0.7
287.05502	100.0
288.05820	3.0
291.09763	0.6
299.05606	0.7
303.05005	1.7
325.07117	0.2
329.06509	0.7
353.06555	0.6
431.09766	0.4
449.10248	0.4
449.15793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.63206	0.1
53.03946	0.8
55.01870	0.6
57.03432	0.8
59.05007	0.2
61.02930	1.8
68.99776	0.3
69.03425	3.3
70.15544	0.4
70.15959	0.2
71.04991	0.6
73.02910	0.6
75.58121	0.1
79.05474	0.2
81.03419	1.9
83.01357	0.2
85.02903	9.5
87.04452	0.4
91.03943	0.6
97.02895	3.0
97.06522	0.2
99.04468	0.6
105.03369	0.4
107.04960	0.4
109.02875	1.1
111.00816	0.7
111.04455	0.1
121.02870	2.9
121.44801	0.2
127.03906	1.7
129.07022	0.2
133.02829	0.4
135.04384	0.1
137.02333	0.9
145.04970	1.7
145.06252	0.2
147.04391	0.6
153.01822	3.9
154.02242	0.1
157.06462	0.4
165.01830	1.7
171.04454	0.3
183.02931	0.7
185.05965	0.5
187.91187	0.1
189.05516	0.2
193.08498	0.1
197.05940	0.2
203.07202	0.2
213.05479	1.4
229.04942	0.2
229.08667	0.4
231.06517	0.6
241.04919	0.8
243.06602	0.2
257.08185	0.2
258.05258	1.0
259.05988	0.6
269.04608	0.1
287.05490	100.0
288.05804	3.6
303.04791	0.2
372.20557	0.2
458.78235	0.1
470.51447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03919	0.4
56.96525	0.4
57.03413	0.4
61.02933	5.3
68.99773	0.6
69.03434	1.7
69.63640	1.1
69.64067	1.2
71.04967	0.5
73.02915	1.7
79.05470	0.5
81.03375	1.4
81.07018	0.7
83.04963	0.5
84.08109	0.3
85.02914	6.4
91.03957	2.8
91.05427	0.5
93.07001	0.6
95.04952	0.8
95.08587	0.3
97.02905	2.6
97.06506	0.5
98.97603	0.4
99.04433	0.7
105.06960	0.6
107.04944	0.5
109.02882	0.8
109.10088	0.4
111.00802	0.6
119.08545	0.5
121.02887	2.1
127.03944	1.6
130.06444	0.5
133.02834	0.5
136.07527	1.5
137.02354	0.7
145.04900	0.8
147.04358	0.5
153.01826	3.4
164.07007	1.2
165.01843	1.3
177.55751	0.3
181.04942	0.5
183.02826	1.1
183.13823	0.4
185.05966	0.6
213.05484	1.3
229.08676	0.5
231.06531	0.7
237.02829	0.4
241.04991	1.1
247.23920	0.3
248.12794	0.4
258.05179	0.9
259.06039	0.6
287.05515	100.0
287.12369	13.5
288.02933	0.3
288.05829	2.0
334.88214	0.3
449.17917	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	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03955	0.6
53.36728	0.1
55.01870	0.5
57.03435	0.9
59.05004	0.1
61.02637	0.1
61.02925	1.5
65.03933	0.1
68.99783	0.5
69.03426	3.3
69.28589	0.8
71.01331	0.1
71.04991	0.5
73.02900	0.4
79.05491	0.2
81.03416	1.8
83.01335	0.2
85.02902	10.3
86.03248	0.1
86.09741	0.1
87.04453	0.4
91.03968	0.5
95.04967	0.2
97.02887	3.4
97.06509	0.1
99.04452	0.6
101.02383	0.1
103.05460	0.1
103.61973	0.1
105.02778	0.1
105.03390	0.4
107.04935	0.4
107.08626	0.1
109.02871	1.1
111.00794	0.7
111.04417	0.1
115.03908	0.1
117.07001	0.1
118.88099	0.1
119.87137	0.1
121.01993	0.2
121.02864	2.8
127.03907	1.8
129.07014	0.1
133.02863	0.5
135.04420	0.2
136.07570	0.2
137.02336	0.9
141.06976	0.1
145.02875	0.6
145.04964	1.6
145.06419	0.2
147.04385	0.7
151.03912	0.1
152.07079	0.1
153.01816	4.3
157.06474	0.5
161.05946	0.2
162.05482	0.1
164.07001	0.2
165.01831	1.9
171.02966	0.1
171.04398	0.3
181.04909	0.1
182.97762	0.1
183.02878	1.0
185.05931	0.5
189.05432	0.2
197.05945	0.2
201.05510	0.1
203.07019	0.2
213.05469	1.6
229.05037	0.1
229.08627	0.3
231.06544	0.7
241.04945	1.0
243.06601	0.2
258.05240	1.3
259.06097	0.5
269.04373	0.2
274.07162	0.1
280.70377	0.1
286.04593	0.2
287.05484	100.0
288.05850	2.3
299.05432	0.2
329.06461	0.2
454.77213	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	449.108
Annotation	CHEBI:75859
Peak:m/z	Relative Intensity
52.72548	1.1
53.03960	1.2
55.05523	1.1
57.03436	3.4
61.02902	1.3
66.06143	1.0
67.05500	1.7
69.03426	3.9
69.07081	5.7
70.06589	4.5
71.04999	19.9
71.15941	2.6
72.08150	1.2
79.05506	1.3
79.14390	1.1
81.03419	3.5
81.07058	1.9
83.04990	1.9
83.08659	1.5
84.04484	1.7
84.08159	3.6
85.02906	26.5
86.09721	2.4
91.05479	3.0
93.07024	1.7
95.05012	1.9
95.08596	2.0
97.02895	3.4
97.06475	1.8
98.98426	1.2
99.20972	1.2
103.03945	2.1
105.07046	1.9
107.08614	1.4
109.02886	3.8
111.04440	2.5
119.08582	1.5
121.02877	1.9
123.04442	2.9
125.05920	1.3
125.09635	1.6
127.03909	4.6
129.05490	5.7
129.10251	3.5
130.06532	2.3
133.95229	1.0
136.07628	1.8
137.02361	5.8
137.05988	1.8
141.05475	1.1
145.04984	1.8
145.10150	1.2
147.04382	6.3
148.04770	3.6
153.01842	4.6
163.03944	1.7
165.01833	3.9
165.05510	1.7
167.03377	1.3
173.06024	1.4
177.00726	1.6
177.05528	1.6
183.02928	3.9
201.05487	1.4
203.10980	7.1
227.08000	1.3
229.05016	4.6
237.02821	1.5
247.06041	1.6
253.73637	1.2
257.04474	2.7
277.14709	2.4
283.06177	2.7
285.04047	1.7
287.05554	23.4
287.10510	1.7
287.13971	3.0
288.05807	1.7
297.07574	2.7
299.05518	28.8
300.06299	3.1
303.04999	100.0
304.05475	3.8
311.05621	2.9
313.06924	1.4
314.11365	1.4
315.04791	2.0
325.06882	5.4
329.06531	19.1
339.08704	4.9
345.06128	1.5
353.06531	11.0
365.06747	3.2
377.06631	2.6
383.07556	8.2
395.07635	7.0
413.08798	8.0
431.09729	5.6
431.14859	2.0
449.10095	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	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05496	0.8
56.05024	0.2
57.03410	0.2
59.51937	0.2
67.05494	0.7
68.05018	0.4
69.03410	0.4
69.07069	0.3
70.12189	0.9
71.04993	1.5
76.40294	0.2
79.05065	0.3
79.05494	4.0
80.05016	1.7
81.03407	0.8
81.05795	4.1
81.07050	2.6
82.03762	0.2
82.06571	0.4
83.04977	0.6
84.08142	0.2
85.02901	3.0
86.09662	0.3
91.05487	0.4
93.07043	0.4
94.06555	0.8
95.04964	0.7
96.08130	15.1
97.02882	0.6
97.08467	0.3
99.04448	0.5
103.03947	0.7
106.06556	2.2
107.04957	0.5
109.02892	0.6
121.10140	0.3
122.06017	1.0
123.04427	0.2
123.06379	0.3
124.07590	100.0
125.05980	0.3
125.07921	0.9
127.03904	1.5
129.05489	0.6
131.04944	0.2
131.08264	0.2
136.07602	0.7
137.02370	0.4
137.05904	0.3
142.08641	0.4
145.04988	0.6
147.04414	1.4
149.02286	0.2
153.01877	0.5
163.06039	0.8
164.07069	1.0
165.01819	0.3
177.05481	0.3
229.05032	0.3
243.68094	0.2
250.10860	0.3
251.12814	0.3
257.04718	0.2
262.92236	0.2
285.04010	0.2
286.12860	0.3
287.05539	0.9
303.01520	0.5
303.05002	9.4
307.10318	0.3
309.61191	0.2
357.13110	0.2
373.24796	0.2
441.17255	0.2
449.10837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Quercetin-7-O-rhamnoside
Peak:m/z	Relative Intensity
51.30669	0.3
53.03953	0.3
55.05500	0.6
57.03438	7.1
61.02916	0.7
63.69654	0.3
65.03929	0.3
67.05495	0.7
68.99799	0.5
69.03423	1.3
69.07067	1.0
70.06575	0.4
71.04993	1.0
71.09598	0.8
73.02552	0.4
73.02927	3.6
75.04485	28.9
79.05505	0.6
81.03407	1.0
81.07040	0.7
82.06658	0.3
83.04975	1.0
85.02911	5.0
86.09698	0.8
88.12160	0.3
90.21837	0.3
91.05482	0.8
93.07032	0.8
95.04964	1.0
95.08620	0.5
97.02885	0.7
97.06542	0.5
99.04469	0.6
103.03928	0.5
103.98936	0.3
105.07013	0.7
107.08627	0.6
109.02879	1.5
109.10146	0.4
111.00810	1.0
111.04464	0.5
117.07039	0.3
119.08553	0.6
120.08138	0.4
121.02888	0.9
122.06045	0.3
127.03894	1.7
131.08604	0.4
133.10095	0.5
135.04372	0.6
136.07611	1.1
137.02356	2.8
137.05965	0.6
145.10056	0.4
147.04385	0.7
147.11652	0.3
152.07082	0.5
153.01849	3.6
157.10147	0.5
163.03957	0.9
163.33159	0.3
164.07079	1.4
165.01842	2.2
165.12837	0.4
171.11670	0.4
181.04980	0.4
183.02937	0.7
183.04466	0.4
195.02982	0.5
201.05515	1.8
229.04984	4.1
246.05374	0.4
247.06007	0.5
257.04562	2.6
274.04620	0.8
285.04022	1.4
287.05515	3.4
287.13956	0.8
289.04913	1.0
302.04291	0.6
303.05011	100.0
304.05380	2.8
317.06607	3.3
396.31067	0.4
449.31110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3104
Annotation	Hyousterone A
Peak:m/z	Relative Intensity
50.51947	3.3
53.03962	3.8
55.01861	5.3
55.05523	16.7
56.96563	6.7
57.03440	16.8
60.08182	4.4
67.05508	26.8
69.03429	4.3
69.07071	70.4
71.58864	8.3
73.06551	7.3
79.05497	21.6
81.03384	8.6
81.07064	40.0
82.24808	3.1
83.04988	8.8
83.08651	9.6
85.06541	9.5
86.09693	14.9
91.05476	30.2
91.53851	3.4
92.09158	3.3
93.07054	35.7
95.04957	13.7
95.08591	25.9
97.06561	25.2
97.10173	5.1
98.98450	5.5
99.08081	7.6
105.07042	37.7
107.04959	6.7
107.08587	28.6
108.88194	3.9
109.06509	10.6
109.10163	12.8
111.04445	4.1
111.08067	4.9
115.07574	40.8
117.07018	14.9
119.04891	4.1
119.08591	26.3
121.06504	10.8
121.10143	15.9
123.04558	3.3
123.08076	20.5
125.00008	9.0
125.09624	16.8
127.11203	10.0
129.06990	12.1
131.08577	31.3
133.10123	33.8
135.08057	10.0
135.11678	14.4
137.05972	11.5
137.09555	3.5
139.11133	3.3
141.06995	5.1
142.07774	7.2
143.08539	19.7
145.10126	52.0
147.08083	4.8
147.10651	3.8
147.11684	22.9
149.02333	12.9
149.09639	5.7
149.13297	4.2
151.11038	4.6
155.08514	17.0
156.09265	3.9
157.10149	38.6
159.11684	29.2
161.06018	3.8
161.09618	5.3
161.13277	10.5
163.11209	7.0
169.10129	12.1
171.11684	30.5
173.13304	9.4
177.29036	3.5
179.08743	4.0
179.10588	4.8
181.12228	5.3
182.10770	3.7
183.10191	4.2
183.11707	12.5
184.07370	42.4
185.13310	18.7
187.11179	6.3
187.14798	4.0
193.10231	4.2
194.69553	3.5
195.11681	8.0
195.13838	5.5
197.11708	11.3
197.13339	11.3
199.14812	7.3
203.14371	6.6
209.13292	8.3
211.14819	18.2
213.16406	22.8
215.14375	4.4
215.17986	4.7
223.14787	3.7
225.16403	6.4
227.14497	4.9
227.17987	20.5
229.15845	6.5
237.16409	5.0
239.17970	12.9
241.19530	9.2
245.19121	17.8
249.16396	8.9
257.18991	4.2
267.17444	16.6
271.06021	58.3
272.06427	5.3
275.20038	10.8
279.21097	13.1
297.22131	47.7
313.21725	4.3
315.23169	42.2
347.15549	5.7
349.23776	8.5
385.26044	5.2
393.27859	23.3
411.28979	90.0
429.30093	100.0
430.29935	4.7
447.27942	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	447.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05392	0.5
58.92098	0.5
65.03979	0.5
67.05495	1.2
69.03400	1.1
69.59786	3.9
71.04989	0.7
79.05489	0.8
81.03423	1.0
83.04965	0.6
85.02913	2.2
86.09701	1.2
91.05432	0.7
93.07055	0.8
95.05002	0.8
97.02907	0.7
105.07028	0.9
107.08623	0.6
109.02902	1.2
111.04441	0.6
121.10133	0.7
122.58895	0.4
127.03927	0.6
136.07581	0.9
137.06003	1.1
149.02290	0.6
149.05933	0.4
149.09610	0.5
164.07150	0.6
176.51408	0.4
199.09509	3.2
227.08859	2.3
242.23386	0.6
285.12552	0.5
301.12521	1.0
343.13538	3.2
361.02802	0.6
361.14685	14.4
403.15762	39.0
404.16068	1.1
447.14767	100.0
448.14969	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	447.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
54.92683	1.1
55.01857	2.7
55.05507	8.5
57.03437	2.4
60.08183	1.0
62.39412	1.1
65.03921	1.2
67.05509	13.7
69.03413	2.1
69.07068	4.1
70.65598	2.3
70.65931	1.9
71.05005	1.2
71.08602	1.1
72.93272	1.0
75.50426	1.1
79.05497	11.2
80.68507	1.0
81.03423	13.4
81.07058	10.0
81.14812	1.0
83.04983	2.8
83.08621	4.4
83.33297	1.1
85.02912	1.5
85.06509	1.8
86.09715	2.5
91.05461	9.6
93.07040	8.3
95.04967	9.2
95.08611	6.2
97.02872	1.4
97.06533	2.1
97.10181	3.9
103.05460	1.3
105.07040	5.3
107.04942	5.0
107.08578	8.6
109.06530	2.7
109.10151	3.5
109.53329	1.0
111.08100	2.5
117.07018	4.8
119.04983	1.4
119.08591	6.1
121.06518	3.9
121.10141	3.5
123.04391	1.9
123.08062	1.4
125.09637	2.0
127.03956	1.7
129.07005	3.0
131.08575	4.5
133.06496	3.2
133.10106	2.5
135.04529	1.3
135.08090	3.1
135.11699	7.0
137.05943	3.5
137.09628	1.5
142.07678	1.3
143.08571	1.4
145.06525	2.1
145.10118	2.9
147.08051	1.5
147.11679	2.0
149.02345	2.3
149.05983	1.3
149.09636	1.6
155.08548	1.7
157.10173	2.7
159.08025	1.3
159.11763	1.9
161.05960	1.2
161.09669	1.7
163.11218	1.7
165.12740	1.5
171.11711	1.4
175.11143	1.6
177.12741	1.1
184.07353	6.1
185.13292	1.4
189.11276	2.0
193.12286	7.5
196.38432	1.1
202.59219	1.2
209.47672	1.2
211.13315	1.6
223.04581	1.5
231.07990	8.7
231.13960	1.1
255.66336	1.2
259.07626	1.7
263.05289	1.5
267.15930	1.3
269.02261	1.0
271.05963	1.4
275.20081	1.5
285.17032	4.1
286.08694	1.1
291.04724	5.9
291.36197	1.1
298.06757	5.6
310.08649	9.4
311.09415	2.0
315.07068	1.8
316.07874	10.1
317.06006	1.8
318.05679	2.3
326.06412	5.3
329.21140	2.5
344.07397	100.0
345.07791	2.1
355.22729	2.7
363.87433	1.2
373.23743	2.6
403.24811	2.6
410.26889	3.5
411.25223	9.7
412.25482	6.8
428.28125	3.9
429.09109	2.7
429.27676	2.5
443.73868	1.2
446.29010	12.9
447.10153	63.6
447.27582	24.6
448.10501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
56.01114	0.2
60.04504	0.3
65.03935	0.7
67.05505	16.6
69.03429	0.6
69.88468	0.2
70.06591	0.6
71.04989	0.3
71.58498	0.3
72.08147	1.1
79.05495	0.3
81.03412	1.2
82.06604	0.3
83.04982	0.5
84.04506	0.3
84.08128	0.5
85.02898	2.1
86.09708	1.7
87.04459	0.4
87.10034	0.4
89.06004	0.2
89.10889	0.3
91.05840	0.3
91.34786	0.3
92.05732	0.3
93.05741	0.4
93.07033	0.4
94.06567	18.9
95.04957	0.7
95.06874	0.3
96.04476	0.4
97.02891	1.0
97.06495	0.3
98.06051	0.3
99.04449	0.8
103.03944	1.7
105.03400	0.6
107.04964	0.4
109.02859	0.7
109.10077	0.2
110.29069	0.2
115.03979	0.3
119.10731	0.3
122.06028	100.0
123.04425	0.4
123.06354	0.7
124.07571	0.3
127.03929	2.3
129.10225	0.3
131.04898	0.3
136.05754	0.3
136.07585	0.3
137.02354	0.4
137.06013	0.6
137.09592	0.3
140.07074	0.4
145.04991	1.1
145.10049	0.3
147.04460	0.3
147.08098	0.3
161.09685	0.4
163.06036	1.1
164.07086	0.3
165.09174	0.3
167.05522	0.5
168.05486	0.3
169.01332	0.5
193.12302	0.3
194.04956	0.3
207.10278	0.3
226.04424	0.3
236.44934	0.3
270.07553	0.4
284.11636	0.6
307.10092	0.4
315.05038	0.3
360.02936	0.6
370.09735	0.3
446.16739	0.4
446.22147	0.5
447.09302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01875	1.0
55.05553	0.6
56.80456	0.5
57.03433	1.7
61.02927	2.0
69.03433	9.0
70.51556	0.6
70.51895	2.1
71.05001	3.6
73.02922	2.6
75.09265	0.6
81.03421	11.1
82.03764	0.6
84.04544	0.5
85.02908	65.9
87.04468	1.2
97.02899	24.2
99.04462	33.6
103.03945	86.8
105.07033	3.4
109.02890	15.1
111.04412	0.6
112.22450	0.5
115.03936	1.1
119.73853	0.5
127.03919	100.0
128.04263	1.6
145.03757	1.0
145.04964	66.1
163.06021	77.5
166.45493	0.6
169.05002	0.8
185.13211	0.5
187.06056	5.8
205.07092	4.7
253.07022	1.8
271.08182	10.7
289.09180	10.8
307.10245	21.9
382.69058	0.6
411.16641	0.8
414.96451	0.6
466.61234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1855
Annotation	Justin A
Peak:m/z	Relative Intensity
55.01865	0.7
55.05507	0.6
59.05813	0.2
65.03936	0.5
67.05488	1.5
69.03425	0.8
69.07058	0.8
70.03099	1.4
73.01481	0.3
78.11589	0.3
79.05480	1.7
81.03410	0.6
81.07060	1.5
83.08583	0.4
85.02885	0.4
86.09731	0.3
86.51167	0.3
91.05454	5.9
93.07055	0.7
94.04177	1.8
95.04974	0.7
95.08627	0.5
97.02844	0.4
97.06509	0.3
97.10188	0.3
98.21430	0.4
103.05473	5.3
105.03406	0.3
105.07023	0.9
107.04974	0.7
107.08591	0.4
108.24364	0.3
109.06484	0.3
109.10165	0.5
115.05477	0.5
117.07017	0.9
119.04952	7.2
119.08574	0.8
122.03660	5.1
123.04482	0.4
129.03317	0.3
131.04926	11.5
132.02101	0.4
133.06517	0.5
135.04387	0.3
137.05977	100.0
138.06319	1.8
145.02853	0.3
145.06473	0.4
146.03505	0.4
147.04411	5.6
149.06033	0.6
150.06351	0.3
151.07552	0.5
153.05461	0.3
157.03899	0.4
161.05962	0.5
163.07549	12.4
163.11177	0.5
165.09085	0.7
167.07056	2.1
173.06021	0.4
175.03911	8.7
175.07475	1.5
177.05504	0.8
179.07036	0.7
187.07533	1.2
189.09148	0.5
189.11220	0.4
193.08636	0.3
203.10692	1.1
205.08582	2.8
207.06540	11.8
208.06964	0.4
209.08110	1.1
231.10139	2.8
235.09622	0.6
249.11136	1.8
256.14008	0.3
291.19577	1.1
292.19836	0.5
335.12796	0.9
359.03067	0.4
367.15463	0.8
381.70807	0.4
385.16464	12.2
386.16559	0.6
410.24091	1.2
427.26654	0.8
428.25525	0.7
445.27808	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	445.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60608	0.4
50.85068	0.4
52.28796	0.5
53.03940	1.9
55.01887	2.9
55.05508	4.3
57.03438	5.4
57.07055	0.5
57.35761	0.5
57.73245	0.5
61.02929	14.1
65.03938	0.5
66.14141	0.5
67.05505	7.1
69.03438	7.6
69.07069	3.4
69.41312	5.1
71.01355	1.1
71.04982	2.3
73.02921	5.7
78.09346	0.5
79.05064	0.7
79.05496	12.8
81.03413	7.7
81.06640	0.8
81.07064	8.3
83.04990	2.4
83.08622	4.7
85.02906	12.6
86.09705	0.8
87.04465	1.0
91.03963	6.4
91.05396	3.9
91.05903	0.8
93.07050	17.7
94.68175	0.5
95.04981	2.8
95.08611	18.2
96.08927	0.6
97.02281	0.8
97.02899	11.9
97.06510	2.0
97.97001	0.5
99.04466	4.6
101.02377	2.7
103.03922	1.5
103.05447	0.9
105.07044	3.9
107.04953	4.1
107.08602	15.1
109.02878	5.4
109.06506	1.1
109.10157	1.7
111.04436	1.2
111.05567	0.5
111.08049	0.8
113.05988	0.6
115.03918	0.8
117.07028	4.9
119.08577	5.8
121.06535	2.8
121.10144	8.9
123.04430	0.7
125.05995	1.7
127.03923	9.1
128.06271	0.6
129.05470	0.6
129.06970	0.7
130.07735	0.9
131.08559	0.5
133.06448	0.5
133.10150	1.7
135.08064	1.0
135.11699	24.5
137.05995	0.7
137.09676	0.7
139.07550	0.8
145.04950	2.5
145.10123	14.3
153.12781	0.8
163.11185	35.5
164.11566	0.6
167.05571	0.9
181.12231	7.2
183.06519	2.9
185.13219	0.6
190.04984	0.9
197.11740	0.7
201.07594	2.3
209.11794	1.6
225.04216	0.6
227.12788	100.0
228.13155	1.7
251.08627	1.3
283.15399	27.1
311.14807	2.8
325.16373	3.7
359.02826	1.1
367.17758	0.7
384.52750	0.5
391.17474	1.8
409.18634	1.0
427.19592	2.4
445.20599	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	444.2745
Annotation	(+)-N-Deoxymilitarinone A
Peak:m/z	Relative Intensity
50.80385	1.2
52.91382	1.0
55.01862	2.3
55.05517	7.8
57.03445	1.3
57.07054	1.2
67.05517	10.1
69.03433	2.4
69.07063	5.2
71.04993	1.4
71.59291	2.0
78.88354	1.0
79.05494	12.8
81.03421	2.9
81.07059	13.7
83.04986	2.3
83.08607	3.5
84.60502	1.1
85.02893	1.6
91.05470	17.5
93.07040	14.1
95.04967	4.3
95.08604	8.5
96.05733	1.7
97.02887	1.3
97.06545	3.3
97.10139	1.7
103.05481	1.1
105.07032	11.1
107.04947	9.8
107.08595	8.2
109.06519	3.6
109.10139	4.7
117.07048	5.3
119.04953	4.9
119.08572	11.1
120.05727	1.7
121.06516	6.0
121.10115	5.2
123.04479	7.3
123.08037	2.4
125.09627	1.9
125.71081	1.2
129.07011	3.5
131.08571	7.4
133.06471	7.0
133.10133	8.4
135.04430	5.6
135.08076	3.0
135.11716	3.3
136.05185	2.6
137.05974	20.3
137.09631	1.6
141.06978	1.4
143.08545	2.9
145.10144	6.4
147.04399	7.5
147.06827	2.1
147.08034	5.1
147.11635	2.0
149.05980	3.8
149.09642	4.3
151.11203	1.4
157.06523	2.4
157.10104	1.6
159.08073	3.8
159.11699	3.7
161.05978	5.0
161.09641	3.6
161.13271	1.5
163.03952	1.8
163.07527	2.1
163.11189	4.0
165.05632	1.4
169.10120	1.3
171.08055	1.2
171.11787	1.9
173.04646	1.4
173.06021	4.4
173.09612	2.4
175.07559	4.0
175.11176	1.5
175.14877	1.4
176.07050	2.6
177.09114	1.5
178.06126	1.2
183.08128	1.2
185.09583	1.2
185.13214	1.0
189.09042	1.2
189.12698	1.6
190.91347	1.1
191.89981	1.0
195.65269	1.1
199.07515	2.2
201.05637	1.1
201.09138	2.1
201.12875	1.2
202.89137	1.1
205.10976	1.8
211.07524	3.0
212.08342	1.8
213.09088	2.2
215.06990	1.7
215.10603	1.2
225.09087	2.3
245.15451	1.1
245.18840	1.4
249.14964	1.1
251.10670	1.1
255.17386	1.8
273.15244	1.2
273.18628	3.8
283.09644	2.1
291.19537	9.3
313.16815	4.5
331.17661	1.4
341.17429	2.1
359.18411	1.3
373.56317	1.3
381.24332	1.5
382.23740	8.7
391.22522	2.4
408.25476	5.8
409.23740	47.4
410.23859	2.1
426.26437	21.1
427.24777	22.7
444.27454	100.0
445.27380	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	444.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58966	0.7
53.03947	0.7
55.01880	1.8
55.05513	6.0
56.04293	0.7
57.03429	1.3
57.95319	0.7
62.79217	0.7
65.03944	1.0
67.05511	10.3
69.03426	1.4
69.07068	5.8
71.04979	1.5
71.58601	0.6
79.05502	11.8
81.03417	1.9
81.07058	10.2
83.04989	2.1
83.08610	3.1
85.02897	1.3
85.06562	0.8
91.05460	13.9
93.07046	12.5
95.04977	3.7
95.08051	0.9
95.08612	7.9
96.05753	1.5
97.06517	2.4
97.10186	1.7
101.45438	0.7
103.05436	1.6
105.07024	9.5
107.04952	6.5
107.08604	7.7
108.05730	0.9
109.06502	3.2
109.10146	3.8
113.84706	0.7
115.05443	1.8
117.07043	4.5
119.04927	5.2
119.08593	6.3
120.05762	1.2
121.06531	4.1
121.10135	4.6
122.07298	0.8
123.04439	7.0
123.08088	1.6
123.11704	1.0
125.09643	0.8
128.06189	1.3
129.07010	4.0
131.04942	3.1
131.08582	6.1
133.06525	5.2
133.10121	5.0
135.04416	4.3
135.08049	2.2
135.11716	1.6
136.05211	1.9
137.02377	0.8
137.05975	18.2
141.06993	1.5
143.08560	2.6
145.06476	3.9
145.10109	4.5
147.04391	4.6
147.08049	4.6
147.11678	2.7
149.05984	5.6
149.09641	3.2
151.11139	1.3
151.97838	0.8
154.08577	1.3
155.08517	0.9
157.06464	1.6
157.10126	2.3
159.08080	2.2
159.11691	2.4
161.05971	4.5
161.08389	0.8
161.09612	3.7
161.13251	1.3
163.07556	2.2
163.11223	2.9
169.10124	1.5
171.08101	1.0
171.11711	1.4
173.05939	3.9
173.09624	1.9
173.37700	0.9
175.07629	3.5
175.11221	1.4
176.10680	0.9
177.12750	1.1
181.10152	0.8
183.08018	1.1
184.07315	1.2
185.09706	1.0
187.07570	1.4
187.11258	1.1
189.05551	2.3
189.09114	1.9
189.12733	0.8
195.01537	0.8
195.11740	0.8
196.08676	0.8
197.06004	1.0
199.07552	1.8
201.09135	0.9
202.12259	1.4
203.10745	0.8
209.09639	1.2
211.07605	2.2
213.09196	1.4
215.07021	1.6
223.11295	1.0
226.76367	0.8
229.08607	1.0
237.16301	0.8
241.11996	0.9
245.19176	0.8
255.13783	1.9
272.16492	1.4
273.18579	4.9
275.19958	1.4
285.14908	1.0
291.19653	1.6
339.16153	1.3
381.24261	2.5
382.23886	7.6
383.22147	1.3
391.22665	2.4
400.24631	0.9
408.25342	2.3
409.23737	21.9
426.26471	7.3
427.24847	18.8
428.25015	1.3
444.27493	100.0
445.27432	3.9
467.56284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01862	2.9
55.05515	10.3
56.96556	1.4
62.58739	1.1
65.03923	1.4
67.05508	10.6
69.03435	1.5
69.07073	15.6
71.04988	1.5
71.32249	1.1
71.32577	1.2
79.05057	1.7
79.05497	25.4
81.03419	5.3
81.07063	15.7
83.04963	4.4
83.08607	2.5
85.02857	1.0
85.06567	1.8
91.05472	22.8
93.07054	14.4
95.04968	12.3
95.08614	10.5
97.06519	3.3
97.10178	4.8
103.05460	1.0
105.07030	10.2
107.04292	1.7
107.04966	26.9
107.07941	1.8
107.08601	17.5
109.06528	3.1
109.10145	2.4
115.05386	1.2
117.07003	4.8
119.04950	6.9
119.08586	5.8
120.05750	1.5
121.06512	6.5
121.10149	7.0
123.04424	17.0
123.08081	2.7
125.09624	1.2
128.06256	1.3
128.14696	1.1
129.07002	1.8
131.04973	1.4
131.08577	7.1
133.06491	7.1
133.10132	3.2
135.04422	31.3
135.08061	3.8
135.11729	1.2
137.05983	47.0
137.09598	1.7
139.11160	4.5
141.07001	2.1
143.08569	2.2
144.05684	1.2
145.06487	3.4
145.10109	3.8
147.04396	8.4
147.08075	6.3
147.11713	1.8
149.05971	8.7
149.09621	11.6
152.07063	2.2
154.08595	1.8
155.08475	1.1
157.06535	1.9
157.10144	1.5
159.08083	3.1
159.11723	2.2
161.05991	2.6
161.09654	3.8
163.03903	1.1
163.07588	2.1
163.11211	2.9
164.07004	2.6
165.05493	1.8
165.09021	1.0
167.08571	1.3
171.08162	1.9
173.06004	2.6
174.06831	1.1
175.07567	2.3
175.11240	1.6
177.09123	3.8
183.07898	1.3
183.11615	1.6
185.09692	1.9
187.07579	2.7
187.11282	2.1
189.12773	1.4
199.07660	1.6
199.35347	1.1
201.09070	1.1
203.10837	1.7
203.12796	2.1
213.12727	1.1
215.06984	1.9
217.15901	1.0
223.13240	1.5
243.13779	4.6
263.16449	2.1
273.18674	4.7
275.19992	3.8
289.08557	4.6
291.19525	6.1
292.20383	5.7
293.21088	3.7
300.14059	2.0
303.16031	1.3
315.15726	1.1
331.15317	2.3
339.15945	1.1
349.06485	1.2
357.16833	4.9
358.17670	1.0
374.19464	1.1
381.23831	2.3
391.22482	1.6
403.48557	1.0
408.24960	1.4
409.23758	9.1
426.26257	7.1
427.24817	71.7
428.25363	2.8
444.27481	100.0
445.27670	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	444.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
55.05505	3.8
61.02912	2.5
67.05508	4.2
69.03432	9.6
70.06561	1.9
71.04984	3.7
71.50646	3.4
76.32469	1.9
79.05486	3.5
81.03393	9.3
81.07045	3.3
83.04978	6.7
84.01698	1.8
84.04511	2.2
85.02904	19.4
86.09689	3.2
87.00820	3.5
91.05482	8.1
93.07052	7.5
95.04941	3.7
97.02888	7.5
97.06505	5.6
99.04452	2.1
103.03918	2.2
105.07021	8.6
107.08592	28.9
109.02872	12.2
109.06522	2.9
109.10172	2.6
119.08579	6.9
121.06496	11.8
121.10136	5.2
123.08091	1.9
124.03960	5.9
127.03914	14.1
131.04936	2.1
131.08560	3.5
133.10123	16.8
135.08034	13.4
137.05992	6.8
137.09544	3.2
145.04903	2.8
145.10120	4.1
147.04372	2.6
149.09621	9.0
151.11127	4.3
153.05519	2.9
159.08086	2.3
159.11713	6.9
161.09636	7.2
163.07561	8.0
167.05562	2.0
167.10681	10.3
173.09631	4.0
173.13284	11.2
175.07460	2.0
177.92090	1.9
179.10667	13.0
183.11674	2.0
186.10405	3.6
187.11177	19.9
189.05591	2.5
191.07076	4.8
197.11726	100.0
201.12733	21.0
203.14330	2.1
205.12253	8.3
206.07887	2.2
211.11172	3.0
219.13911	4.7
229.12231	17.9
231.05020	2.5
247.13293	91.3
248.13559	2.8
265.14392	13.9
268.11896	2.2
271.07281	2.1
277.22675	2.2
297.31006	2.2
359.02997	3.0
426.19031	8.7
445.17142	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	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05572	3.9
53.03926	12.2
55.01854	9.8
55.05509	24.7
56.96553	5.8
57.03441	24.1
61.02644	4.1
61.02926	56.2
62.37140	3.1
65.03931	3.5
67.05170	5.4
67.05504	80.7
69.03087	3.5
69.03433	44.3
69.07069	19.1
69.56585	20.1
71.01332	5.4
71.04980	13.0
73.02920	21.5
79.05064	4.7
79.05492	78.3
81.03416	44.9
81.07061	58.5
83.05001	20.0
83.08604	13.6
84.96099	3.0
85.02905	68.3
86.09730	3.4
87.04453	5.3
91.03950	35.4
91.05484	70.1
93.07047	91.9
94.06554	14.1
95.04977	24.6
95.08601	35.1
97.02892	41.7
97.06509	8.7
97.10152	6.6
98.20663	6.8
98.97552	4.0
99.04456	11.4
101.02362	12.3
103.03938	8.2
105.07026	57.7
105.46853	3.5
107.04935	9.3
107.08588	28.8
108.08136	6.1
109.02868	25.0
109.06499	10.2
109.10152	9.3
110.09770	2.9
111.08074	4.9
111.11734	4.2
115.03954	4.3
115.05486	4.1
116.98682	3.7
117.07022	18.0
119.08583	38.1
121.06490	12.1
121.10123	12.6
122.06030	36.0
123.08068	11.0
123.11693	3.5
127.03932	35.2
127.07563	4.7
128.06172	9.8
129.06975	26.1
131.08554	13.0
133.06506	5.0
133.10112	18.1
135.08070	6.3
135.11681	5.0
136.07475	5.8
137.05977	7.3
137.09584	6.5
143.08594	19.2
145.04955	7.3
145.10115	21.4
147.08035	5.5
147.11682	60.0
149.06004	5.4
154.08606	10.4
155.08473	7.5
155.68333	3.9
157.10182	5.7
159.11656	6.9
161.09648	9.0
161.13251	22.0
163.11200	6.9
165.09068	5.3
166.08528	4.4
167.08670	4.9
169.10159	4.7
171.11691	49.0
173.13202	7.9
177.05438	5.4
177.16412	5.5
189.12700	18.9
189.23625	3.2
198.04448	5.4
207.13792	58.6
210.04359	6.6
214.17970	11.4
221.15482	3.5
225.14789	7.8
228.05472	3.9
229.09787	3.6
241.15729	3.1
263.11911	4.4
269.15369	4.0
279.58032	5.2
281.17468	100.0
285.18387	4.5
287.16397	10.4
295.59036	3.5
309.16916	5.5
312.11176	4.4
317.10464	4.6
317.60379	3.9
321.11990	5.4
323.18451	7.0
332.62442	4.2
333.11566	4.2
335.11484	3.8
347.11566	51.6
347.61420	5.2
356.12128	21.3
356.62149	5.4
361.20212	8.4
362.12228	3.9
363.13202	5.9
367.62805	5.8
376.62585	3.7
377.12646	5.3
389.19516	5.8
399.15253	3.6
399.19553	16.3
407.13553	27.5
407.63782	4.4
416.13684	4.3
425.21838	5.8
427.64984	4.1
443.18359	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04043	0.5
55.01863	0.7
55.05515	3.4
56.05030	0.9
56.05862	0.5
57.03420	0.8
58.06605	1.3
60.06056	0.4
60.08160	15.1
61.02917	0.5
67.05486	1.6
69.03423	1.6
69.07060	1.2
70.06580	0.8
71.07368	5.1
71.59086	0.8
73.02927	0.6
77.08122	0.4
79.05476	1.9
81.03408	1.6
81.07043	1.2
83.04980	0.8
83.08620	2.1
84.04525	0.5
85.02901	1.7
85.25389	0.5
86.09702	45.6
87.10023	0.6
91.05463	1.1
93.07048	1.5
95.04938	0.5
95.08591	0.7
97.02898	0.8
97.06501	1.0
97.10187	4.3
98.97565	0.6
98.98445	3.1
99.04460	0.5
104.10739	100.0
105.07030	1.5
105.11093	1.0
107.08602	1.7
109.02899	0.9
109.06506	0.6
118.95317	0.5
119.08640	0.7
121.10168	0.7
122.06013	0.5
124.99998	24.3
125.09621	4.7
127.03903	1.0
133.10121	0.6
135.08035	0.9
142.08636	0.9
145.02872	0.8
147.04405	0.6
153.09137	0.6
163.01572	0.8
177.05516	0.8
177.16423	0.6
184.07335	88.5
185.07631	0.7
189.11218	0.7
191.14313	0.5
203.12842	1.0
204.10324	0.7
258.11014	0.7
259.15512	1.2
309.91144	0.5
365.13574	0.6
424.20886	8.3
442.22025	41.5
442.34842	1.3
443.22107	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	2.4
55.04243	3.2
55.50978	1.1
62.78687	1.3
69.03427	3.1
69.61390	6.3
69.61794	2.7
79.73069	1.0
80.05007	1.1
80.34324	1.1
81.03422	1.8
81.04534	17.9
82.05315	7.6
85.02894	6.6
97.02892	2.7
98.48008	1.3
101.07108	1.5
103.03961	1.2
109.02914	1.4
122.07150	100.0
123.07938	96.2
123.08668	1.6
127.03904	4.2
145.04961	1.6
147.04417	2.5
160.04189	1.4
165.07738	2.7
169.19119	1.6
172.04221	1.4
199.32303	1.3
219.01736	1.7
221.08675	1.1
281.10660	59.6
282.10941	1.2
425.14737	1.4
431.64166	1.4
443.15930	95.9
444.16217	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61831	0.7
55.05505	2.3
55.46980	0.7
56.96568	1.0
57.07079	0.9
67.05515	1.5
67.32272	0.6
69.03423	1.4
69.07055	1.3
69.27617	4.6
69.28052	3.2
79.05489	1.8
81.03411	1.0
81.07047	1.8
81.90971	0.7
83.08593	1.2
85.02919	1.6
85.06545	0.9
86.09742	0.8
91.05482	1.7
93.07047	2.0
94.61421	0.7
95.08585	1.9
97.02901	1.0
97.06533	0.9
105.07030	1.7
107.08598	1.5
109.02818	0.8
121.06509	0.7
121.10143	1.6
123.08107	0.8
125.09660	1.1
127.03884	0.9
131.08568	0.7
135.39444	0.7
137.05980	1.6
137.09599	0.8
145.10152	1.4
147.11755	0.8
149.13295	0.8
157.10175	0.9
165.09109	4.2
177.05492	0.8
185.13164	0.7
195.11877	0.8
195.13582	1.8
204.71954	0.7
223.13129	1.2
227.05202	0.8
297.15390	1.1
306.08795	0.7
357.18774	9.6
399.19946	24.7
443.18918	100.0
444.19250	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	442.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.6
53.66941	0.9
55.01870	8.1
55.05511	1.2
57.03434	9.5
59.05010	2.6
61.02921	5.5
65.88626	1.2
67.05544	1.1
68.99793	2.9
69.03428	33.6
69.78081	0.8
70.06625	1.0
71.04994	7.7
71.08634	54.0
71.12913	1.8
71.13297	1.9
72.08134	0.9
73.02917	8.1
79.05512	3.1
81.03419	29.5
81.07057	15.1
83.01364	1.6
83.04983	1.5
85.02908	87.4
85.06563	2.8
86.03220	1.0
87.00831	38.5
87.01343	1.9
91.03954	1.9
91.05515	1.1
93.07034	0.9
97.02896	33.4
98.53163	0.8
99.04459	15.9
99.08096	25.0
101.02384	1.0
105.01869	47.2
108.04558	1.2
109.02879	31.1
109.06520	19.8
115.03963	1.6
115.07610	1.4
117.01874	2.2
117.09132	67.5
127.03923	67.7
127.07536	1.9
129.01859	3.2
137.09660	1.1
141.09105	100.0
145.04965	22.9
145.08578	5.2
147.02908	1.7
152.45901	0.9
159.02896	15.3
159.10178	15.3
173.30530	0.9
177.11229	65.9
187.09723	4.1
189.04019	2.7
190.82814	1.0
202.08562	1.0
213.03970	3.8
231.05002	20.1
231.07191	1.3
243.12332	3.0
244.18440	1.2
249.06149	3.5
267.12225	6.0
283.39401	1.0
293.03299	1.0
345.15366	2.8
371.13220	5.7
389.14450	7.1
407.15509	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	442.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01882	7.3
57.03438	7.9
59.04997	3.1
61.02924	6.3
65.03941	1.2
68.99785	3.1
69.03076	2.0
69.03432	33.6
69.07079	1.6
70.06585	1.5
71.05001	6.4
71.08634	52.2
71.59214	1.2
73.02917	6.9
79.05499	2.1
81.03419	31.5
81.07059	16.4
83.04991	3.0
85.02908	86.2
85.06530	2.6
86.09731	1.8
87.00833	34.0
87.04466	1.5
91.03965	1.5
91.05470	1.3
93.07089	1.7
97.02901	30.3
99.04458	11.3
99.07476	1.9
99.08096	24.7
105.01872	44.7
105.07023	2.3
106.41211	1.1
107.08570	1.0
109.02888	28.6
109.06517	15.6
115.04002	1.3
115.07569	1.0
117.01859	2.6
117.09134	59.8
117.75036	1.1
127.03920	64.8
127.07574	2.5
129.01785	3.1
133.10115	2.7
137.05956	2.0
141.09106	100.0
142.09451	1.2
145.04970	24.9
145.08594	4.7
147.02884	2.6
159.02896	11.7
159.10165	15.1
166.17632	1.3
177.03944	1.5
177.11237	60.6
179.03363	1.5
187.09683	2.8
189.03914	1.9
191.14557	1.3
194.05302	2.0
213.03941	4.2
231.00696	1.3
231.05003	20.1
234.48108	1.2
237.14441	3.4
243.12274	3.1
246.14981	9.5
246.64903	2.5
249.06062	4.7
259.44043	1.1
267.12317	5.9
271.08090	1.1
298.91220	1.4
340.77661	1.2
345.15231	2.2
371.13394	4.5
389.14404	7.2
407.15414	2.7
442.15460	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	441.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	3.3
55.05513	43.2
57.03443	19.1
57.06833	2.7
57.07080	40.9
67.05229	1.6
67.05518	18.2
69.07066	58.0
71.04973	2.8
71.08635	28.5
71.44598	2.5
71.44949	2.5
79.05482	6.6
79.15853	1.7
81.07058	20.1
83.04979	1.9
83.08624	36.7
85.06506	1.9
85.10184	17.6
93.07050	10.8
95.08613	26.2
97.06525	7.4
97.10167	20.2
107.08596	7.9
109.10173	10.8
111.08092	4.1
111.11713	9.0
121.10130	8.0
123.11716	7.1
125.09634	4.3
135.11688	10.3
139.11124	5.1
149.13277	4.6
153.12784	4.2
162.82944	1.9
163.14841	3.9
167.14308	2.6
171.13892	2.9
177.16370	2.5
244.25256	2.3
306.12775	2.1
331.33453	5.4
349.34641	9.0
423.38669	9.9
441.39432	100.0
442.39600	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21598	1.4
55.05526	1.9
57.07077	30.3
59.10899	1.5
67.05503	1.7
69.07059	2.1
69.94706	4.6
69.95119	3.4
71.08630	26.0
71.31203	1.8
73.06544	5.5
83.08598	4.0
85.10178	26.3
86.09709	2.1
87.04490	2.7
89.06032	100.0
91.05495	2.0
95.08627	1.6
99.11676	2.6
107.07059	5.3
107.08613	1.7
113.15314	1.9
117.09149	4.2
120.32724	1.5
130.08640	5.4
133.08603	50.1
141.16389	4.4
177.11243	23.5
184.07317	3.3
185.19002	3.8
195.12241	3.3
197.31433	1.7
221.13837	2.1
226.21649	3.1
229.21675	13.3
239.14897	2.1
273.24252	5.3
276.23178	1.6
283.17505	22.1
423.33185	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05512	1.8
57.27427	1.3
67.05519	2.5
69.03423	3.3
69.07053	2.0
70.06580	1.8
71.58324	1.5
79.05513	1.5
81.03413	3.2
81.07063	1.9
83.05000	2.0
85.02918	5.3
86.09706	3.7
88.61639	0.9
91.05479	3.4
93.07055	3.2
95.04996	2.0
95.08568	1.9
97.02897	3.9
97.06522	1.1
103.05518	1.1
105.07039	3.9
107.08588	2.4
109.02876	3.8
109.10154	1.2
116.98657	1.4
117.07129	1.0
119.01930	4.2
119.04962	1.5
119.08623	1.8
120.08052	2.0
121.06522	1.1
123.04421	1.4
127.03907	5.2
133.02800	1.2
133.10115	2.1
135.08046	1.6
135.11627	1.5
137.02982	1.2
145.04951	1.9
147.04424	2.5
147.11659	1.2
149.05927	1.1
158.99748	1.0
161.02998	2.1
163.06013	1.6
175.07564	2.2
175.14809	1.4
179.03430	7.6
193.08591	1.2
193.12048	2.5
201.03719	2.6
215.14314	1.1
242.23267	1.1
243.04823	7.2
245.06387	2.2
271.04224	1.1
287.03732	68.9
289.05295	32.0
297.09985	1.1
303.84113	1.0
324.69995	1.0
377.02158	1.2
397.18307	9.8
441.17316	100.0
442.17310	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	440.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.8
56.96548	1.8
57.03427	2.2
57.07075	13.0
62.06089	21.0
64.70802	1.2
67.05488	6.1
69.07052	6.4
70.79156	2.9
70.79555	2.7
71.08627	11.4
79.05471	1.9
81.07055	6.5
83.08614	2.0
85.10175	7.6
86.09722	1.3
89.06007	1.4
91.05437	1.6
93.07034	2.6
95.08607	10.2
98.98468	4.1
102.22444	1.3
109.10130	4.3
112.04678	1.2
123.08042	1.8
123.11709	1.8
124.01624	1.5
149.01210	4.8
155.01033	5.7
156.03656	3.5
156.71059	1.4
164.43970	1.4
167.02213	2.2
167.54416	1.4
184.07353	3.7
195.81357	1.3
216.06303	1.7
225.22197	1.9
268.26416	9.0
277.13815	5.9
277.63977	5.7
299.25797	100.0
300.25958	1.9
342.27182	1.4
379.22424	8.6
422.26584	4.4
440.23849	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	440.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95467	1.1
53.41702	1.2
55.05502	2.8
56.96556	1.9
57.03434	6.3
57.07079	20.4
59.05008	6.7
67.05512	6.7
69.07059	5.1
71.08633	17.3
71.58514	1.6
81.07063	6.9
83.08624	3.4
85.10188	11.0
86.09706	2.4
89.06064	2.1
91.05467	1.8
93.07065	1.6
95.08595	11.0
97.10182	2.2
109.10156	5.0
148.65437	1.0
149.02509	1.3
173.15331	1.8
178.69542	1.1
180.16365	1.1
181.35510	1.1
184.07405	6.5
225.22147	1.2
243.23198	1.5
259.07773	1.6
268.26462	4.2
271.07529	1.8
275.20078	1.3
287.07034	2.0
299.25821	100.0
300.26193	2.8
332.34033	1.2
349.17136	1.2
441.13141	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	440.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
56.96553	0.6
57.07066	0.9
63.42953	0.4
67.05493	1.6
69.07050	1.9
71.08633	5.9
71.58329	0.4
71.58743	0.6
72.08149	1.4
79.05489	0.9
81.07035	2.5
83.08614	1.1
84.08153	1.0
84.57614	0.4
86.06068	3.1
93.07034	1.3
95.08633	2.4
96.08135	2.4
97.06543	0.9
98.06078	0.6
98.09684	2.1
99.08109	2.2
100.98734	0.5
105.07054	0.5
107.08591	0.9
108.08109	1.1
116.10738	16.5
121.10114	0.6
122.09649	2.1
124.07589	0.4
135.11671	0.7
140.10654	0.7
143.10695	1.7
146.43311	0.5
149.13235	1.3
154.15889	2.4
164.14407	0.5
166.15956	3.1
168.17462	0.5
178.15895	1.0
196.16997	7.1
214.18031	100.0
215.18352	1.4
271.19128	1.1
342.26389	4.0
383.17645	0.8
440.33719	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	440.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.7
55.01871	1.5
58.61049	0.6
65.76176	0.7
69.03428	1.9
69.51574	6.1
74.94581	0.8
75.09435	0.7
79.05522	1.5
81.03402	1.3
81.07067	1.3
82.83750	0.7
85.02893	1.0
91.05484	1.5
94.15389	0.8
95.05002	0.9
102.82834	0.8
104.10741	0.8
107.04937	7.6
119.04926	1.0
122.06049	0.9
123.04426	25.4
131.04935	1.1
135.04442	1.8
137.02332	0.9
137.05989	1.1
147.04436	2.6
151.03941	1.1
163.03935	2.0
177.05466	1.3
181.04950	1.7
202.07796	1.7
203.08711	0.8
217.10179	1.6
227.08598	2.2
228.09290	1.6
231.08044	8.2
233.09561	1.6
239.08530	0.8
242.07320	1.1
245.09599	4.8
247.07521	1.1
255.08052	4.7
256.08829	1.7
257.09634	2.8
258.06860	1.9
259.07550	26.7
260.07889	1.1
268.08844	1.6
271.07635	0.8
273.09091	13.5
275.06897	0.9
277.10266	1.3
278.11099	1.4
281.09589	1.2
283.11166	1.8
284.08203	1.5
285.09097	1.4
289.10248	1.8
292.08920	1.0
296.12036	1.3
301.08426	0.9
302.10822	2.6
303.11743	2.9
305.09485	3.5
306.10312	4.4
307.11093	4.9
309.08945	0.9
311.14230	1.2
313.10217	3.5
316.08850	1.6
319.11023	1.2
320.12009	1.6
321.09152	1.7
321.12729	10.8
323.10828	1.8
324.11481	5.5
330.10403	1.3
331.11176	13.7
334.09982	5.5
335.10645	3.9
339.10077	1.2
339.13754	6.0
340.09073	0.9
341.09555	1.6
342.10492	1.7
347.10577	1.5
349.12259	14.0
350.12851	1.3
351.10196	1.2
352.10898	10.7
353.11649	2.8
358.09845	4.3
359.10638	18.5
359.14908	1.4
360.11398	1.4
362.09372	2.2
363.10144	4.8
367.13303	19.9
367.17966	1.0
369.09070	1.0
376.10712	2.0
377.11740	38.0
378.12357	1.5
380.10260	0.9
387.10150	10.8
388.10727	1.6
390.08960	2.5
393.11279	1.5
395.12805	15.1
404.12476	0.9
405.11227	39.9
406.11664	1.6
408.09924	2.5
412.15445	1.0
422.13934	13.6
423.12271	100.0
424.12476	3.1
440.14923	97.1
440.23358	3.9
441.15240	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01862	1.4
55.05510	2.1
56.54108	1.3
56.96569	1.2
57.03436	2.0
58.99583	6.2
61.02918	1.3
63.07560	1.2
67.05521	3.2
69.03429	5.9
69.07064	3.5
69.30302	14.3
69.77298	1.1
70.06591	3.4
71.04973	1.5
73.02913	2.2
76.02241	7.8
79.05505	2.5
81.03408	4.2
81.07081	1.8
83.04993	1.6
84.04527	1.8
85.02916	13.4
86.99048	1.7
88.73509	1.2
91.05470	4.3
93.07029	2.1
95.05015	1.5
95.08624	2.5
97.02898	5.9
97.06532	3.7
98.97597	2.5
99.04453	4.8
99.08105	8.9
100.02206	6.3
103.03941	12.1
105.07030	2.0
107.08627	1.8
109.02892	4.5
110.06012	1.2
113.06031	1.4
116.98610	1.3
119.08585	2.0
121.10133	4.9
122.02757	1.9
122.06009	2.5
125.06016	2.3
127.03919	15.0
130.19746	1.1
131.08501	1.6
136.07603	2.0
137.06003	1.6
138.05507	2.4
139.11171	2.9
145.04974	9.8
146.02704	8.5
147.04428	1.9
152.07037	1.3
162.05482	3.8
163.06027	9.0
163.11235	2.0
164.07027	1.9
170.09708	1.9
172.07677	3.1
175.08702	3.1
179.10661	1.4
181.12267	3.5
182.08221	1.3
183.48116	1.1
186.09163	2.5
187.12257	1.7
188.03738	1.9
189.10371	1.7
192.14777	1.1
196.04164	1.4
196.07585	1.9
198.09171	5.8
199.08783	1.6
199.13315	15.4
204.10173	1.5
213.10239	9.3
214.08702	3.1
215.11844	3.6
217.09698	4.1
227.08005	2.1
227.11792	2.8
235.10782	5.3
240.08818	3.4
241.09711	29.2
242.04863	2.0
242.08105	4.0
242.10301	2.1
243.09419	1.5
243.11357	15.0
248.12791	6.7
254.10544	1.8
255.11249	5.4
256.09714	1.3
258.12442	10.3
259.10806	21.3
260.12918	1.6
270.07654	1.4
271.08789	1.7
271.13089	1.9
273.12244	2.3
277.11902	1.5
283.10767	7.1
284.09174	2.6
285.12363	11.4
286.09534	1.8
299.08505	3.0
299.15134	2.3
301.11856	28.9
302.10080	2.3
303.13403	3.4
307.10333	2.9
317.13705	21.5
318.12796	4.4
319.12848	6.0
360.13715	2.7
362.11734	9.4
363.10092	4.6
378.14880	1.9
404.12799	18.7
405.11230	5.6
422.13831	100.0
423.12201	11.5
440.13559	2.7
441.11142	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
55.05503	2.5
57.03440	2.3
60.04504	1.3
60.27294	1.0
67.05495	3.3
68.95612	1.1
68.99779	1.5
69.03436	7.2
69.07043	2.9
70.06591	2.7
71.04985	2.1
71.57922	1.2
71.83901	1.1
75.37923	1.0
79.05486	3.9
80.05030	1.1
81.03413	3.7
81.07052	4.0
81.36060	1.0
83.04985	1.5
84.08134	2.6
85.02914	10.5
86.09678	1.2
89.20469	1.1
89.40945	1.2
91.05453	2.9
93.07031	2.1
95.04979	1.9
95.08585	2.6
96.04465	2.5
97.02895	5.1
97.06516	4.3
99.04459	3.2
99.08096	13.3
103.03986	3.2
105.07033	1.9
106.06508	1.9
107.08607	3.3
108.04492	2.8
109.02888	3.2
109.06511	2.1
109.10120	1.9
111.04494	1.2
111.08073	6.5
112.08372	1.5
113.06030	1.3
115.03934	1.4
115.07594	1.1
116.98604	1.2
117.07027	2.8
119.04973	2.8
120.08067	1.3
121.10133	1.9
122.05931	1.2
123.04435	27.7
123.08064	1.4
125.05994	3.2
125.09622	3.7
125.16305	1.0
126.09921	2.3
127.03915	6.1
127.07578	1.3
128.06230	1.7
129.07002	1.8
129.09113	3.9
132.04396	1.1
133.10156	1.9
134.06029	2.0
135.04413	2.2
135.07988	1.5
135.11714	1.4
137.05951	2.3
139.11169	5.9
144.08076	1.3
145.04948	2.5
145.06479	1.7
146.06105	1.2
147.04420	4.6
148.07556	2.1
149.06007	1.5
152.07115	1.5
157.06549	1.5
157.12251	2.5
158.06091	2.0
160.07581	1.3
162.05498	15.7
165.05492	1.6
172.07539	2.8
173.05977	3.5
173.13225	1.8
174.05521	3.4
174.09171	2.4
174.13586	1.7
175.03947	6.8
177.05418	2.8
178.47174	1.1
181.12253	2.2
185.05981	2.4
186.05553	2.2
186.09135	1.2
189.05489	3.3
191.14284	2.7
192.14659	4.5
193.04900	1.6
196.07573	2.1
197.05959	1.4
198.09232	2.0
199.13295	16.6
200.07137	6.2
201.05475	22.2
203.07047	1.6
204.10262	3.0
213.05508	9.5
214.08614	3.8
215.07028	2.6
216.06636	4.0
224.07095	1.4
225.05557	2.5
226.08673	1.7
227.07149	1.5
228.06572	10.0
229.07307	2.3
230.08011	2.1
241.04971	3.1
242.05760	1.3
242.08072	15.8
243.06451	1.5
244.09749	6.1
248.12848	11.2
252.06554	1.9
254.08163	2.2
255.06592	1.7
258.07651	1.8
259.05991	2.5
270.07617	100.0
271.08182	6.2
272.09137	24.3
282.07657	3.1
288.08578	2.1
299.14920	4.8
300.08542	2.1
301.11847	2.6
353.10287	2.6
380.11038	3.0
394.12775	4.0
404.11627	1.6
422.12347	60.9
423.12329	2.2
440.13379	84.7
441.13733	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	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34027	1.5
53.03942	5.2
55.01869	4.6
55.05512	5.3
57.03433	3.9
57.07083	3.7
61.02943	2.1
65.03947	2.4
67.05509	4.2
68.99799	2.7
69.03432	35.0
69.07077	16.7
70.06612	2.4
70.89156	1.6
71.04981	4.1
71.57890	2.4
73.02941	2.1
79.05486	8.9
81.03423	23.5
81.07063	13.3
83.04991	5.6
83.06111	15.9
83.08590	3.1
85.02912	26.1
85.06540	3.9
86.09718	1.8
87.00829	8.9
91.05474	17.0
93.07045	10.2
95.04970	2.4
95.08618	11.7
97.02906	16.3
97.06541	3.3
99.04478	8.2
99.08116	2.6
103.03935	2.7
105.01865	7.3
105.07033	26.8
107.04925	3.2
107.08606	12.5
109.02885	14.9
109.06531	4.9
109.77428	1.9
111.04490	2.4
111.08103	3.9
117.07064	3.7
119.08589	33.3
121.06532	3.4
121.10135	10.4
123.08061	5.0
125.02357	2.1
127.03924	27.1
129.07022	2.9
131.08569	29.8
133.06549	3.0
133.10138	22.9
135.08073	13.5
135.11674	3.9
137.06018	3.5
137.09633	2.3
143.08611	4.3
143.33942	1.7
145.04976	6.5
145.10115	9.6
147.04347	2.4
147.08035	1.8
147.11714	10.6
149.09613	13.9
149.13251	2.0
151.11188	2.0
155.14326	3.1
156.09315	1.6
157.10210	1.6
158.10963	3.8
159.02907	4.4
159.07957	2.4
159.11719	5.9
161.09604	2.3
161.13293	3.0
163.11162	1.8
163.14786	3.5
171.11676	3.2
173.13274	45.9
175.14838	100.0
176.15245	2.0
185.13387	1.8
189.12794	3.5
191.14302	85.4
209.15340	4.5
213.03871	2.9
213.12791	2.5
231.04929	11.5
248.12787	5.4
289.08923	1.7
299.16571	2.2
305.10159	1.9
313.14520	1.4
317.17322	2.0
377.15720	2.1
421.18637	3.4
422.21933	2.0
439.06406	2.4
439.14890	4.7
439.19730	10.2
439.25378	6.4
440.13300	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63799	0.9
53.03939	1.7
53.48635	0.9
55.01864	2.1
55.05500	1.6
57.03420	1.0
60.03456	0.9
61.02893	1.2
69.03423	3.2
69.07084	1.4
70.06592	7.8
71.18401	2.2
79.05488	2.0
81.03403	3.8
81.07053	2.4
83.04986	1.9
84.08129	1.0
85.02911	7.0
85.06528	1.7
86.09705	1.0
87.00844	1.2
91.05479	4.1
93.07040	1.0
95.04978	2.4
95.08612	2.1
96.04514	2.5
97.02880	3.2
97.06530	4.5
97.10175	1.3
99.04446	3.8
99.08115	1.5
103.03942	8.6
105.03407	1.1
105.07020	3.8
106.07359	0.9
107.04960	2.7
107.08567	1.0
108.04481	2.2
109.02881	3.7
112.07599	1.8
117.06999	1.7
119.04951	2.8
119.08614	2.9
120.04404	1.3
121.06447	1.3
122.05996	1.1
123.03556	2.1
123.04428	29.5
123.05318	1.8
127.03926	10.5
128.04254	2.2
128.06306	1.2
129.07018	1.5
130.80017	0.9
131.04890	1.3
131.08505	1.3
133.10103	1.2
135.04402	2.2
137.05994	1.7
140.07050	2.1
145.04991	6.2
145.06401	2.8
146.06003	1.6
147.04433	8.2
147.11678	2.3
148.07584	2.2
149.09605	1.1
157.06531	2.1
158.06088	2.5
159.03006	1.0
159.04353	1.4
160.07590	2.1
162.05508	8.0
163.03906	2.3
163.06000	2.9
165.05484	1.9
169.06554	1.1
172.07570	3.6
173.06017	3.8
173.13182	1.5
174.05527	2.6
174.09163	1.1
174.13562	1.4
175.03894	7.3
175.14850	2.0
176.15256	2.0
177.05504	1.4
183.04332	0.9
185.05978	2.1
186.05472	2.7
186.09094	1.4
187.07599	1.2
188.07072	2.3
189.05484	4.8
193.04953	1.9
196.07683	1.7
198.09114	1.2
200.07076	6.3
201.05489	25.6
202.08727	1.1
204.10199	4.4
213.05487	12.0
214.08711	2.0
215.07030	2.6
216.06570	4.3
224.07062	2.2
225.05423	3.4
226.08705	1.7
227.07034	3.5
228.06535	11.5
229.05150	1.5
229.07332	2.1
230.08188	1.6
240.06686	1.0
241.04991	3.7
242.05695	2.8
242.08080	15.5
242.10507	1.8
244.09711	6.3
245.04366	1.4
248.12814	18.6
252.06610	2.7
254.08208	5.0
255.06506	1.3
258.07626	3.3
259.05991	2.3
270.07623	100.0
271.08270	4.5
272.09210	22.7
282.07626	2.7
288.08716	3.1
300.08746	2.1
307.10318	2.6
376.12329	1.1
380.11188	3.2
394.12900	5.9
404.11508	1.3
422.12350	64.1
423.12573	1.5
440.13409	80.9
441.13638	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	439.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
56.58448	2.5
67.05515	4.5
69.03420	7.7
69.07062	5.5
71.58402	3.8
73.94542	2.5
75.17261	2.4
81.03409	8.2
81.07042	10.7
83.08569	2.6
85.02900	14.4
87.00823	6.6
91.05481	6.6
92.10224	2.6
93.07051	4.3
95.04966	2.6
95.08607	5.7
97.02895	13.0
98.97636	2.9
99.04440	8.4
99.08076	5.7
103.03980	2.8
105.01860	4.0
105.07030	17.7
107.08582	7.2
109.02889	9.8
119.08565	36.1
127.03936	16.5
131.08556	20.6
133.10139	17.5
145.04959	7.4
145.10146	6.7
147.11716	6.0
159.02992	3.2
163.06029	2.8
173.13275	32.5
175.14830	100.0
175.77641	2.8
191.14323	5.1
263.98502	2.8
274.51938	2.5
307.68344	2.8
374.47507	2.9
397.37643	3.1
428.44217	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	439.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50278	0.5
51.18383	0.6
53.03947	1.2
54.50933	0.5
55.01860	1.0
55.05508	2.7
57.03438	1.1
59.05002	0.5
65.03928	0.7
67.05511	4.1
69.03431	7.4
69.07067	2.7
71.04982	0.8
71.59138	0.7
79.05489	5.4
80.79701	0.5
81.03411	3.9
81.07056	6.8
82.87194	0.5
83.04982	3.3
83.08607	0.8
85.02446	0.5
85.02897	4.0
87.00823	1.5
91.05476	7.8
92.05818	0.8
93.07026	4.5
95.04971	4.5
95.08625	2.7
97.02883	1.8
97.06528	2.8
99.04469	1.3
105.01855	1.8
105.07028	9.1
106.07391	0.5
107.04943	3.5
107.08592	18.1
109.02911	2.7
109.06520	3.3
109.10144	7.1
111.04463	0.9
115.05453	1.6
117.07035	2.9
118.07813	0.9
119.04913	0.9
119.08575	5.0
121.06502	2.5
121.10140	11.8
122.07314	4.2
123.08078	1.3
123.11730	0.8
125.05993	0.9
125.09621	2.0
127.03903	4.1
129.07021	0.9
131.08560	4.4
133.10127	100.0
134.10437	1.6
135.04410	0.6
135.08043	7.0
135.11702	2.4
137.05995	3.7
137.09613	48.9
138.06325	1.8
140.55876	0.5
143.08525	1.5
144.09291	0.7
145.04982	0.7
145.10072	2.6
147.04366	1.3
147.11687	3.0
149.09627	5.1
149.13251	8.0
151.07507	0.6
151.11195	0.6
157.10132	0.7
158.10860	1.2
159.11630	1.0
160.01260	0.6
161.05986	1.4
161.09651	0.8
161.13274	0.9
163.14828	1.7
166.87613	0.6
171.11717	0.7
173.13281	6.4
175.07658	0.7
177.05449	1.3
182.94406	0.5
184.07445	0.7
187.07497	0.6
189.12804	1.2
191.14304	47.8
192.14656	0.7
201.12706	0.5
203.08698	0.6
207.13843	0.7
209.15401	0.5
213.03996	1.4
215.08635	0.8
231.05054	1.3
231.08115	2.0
233.09651	0.9
233.15320	0.9
249.09299	0.6
255.13933	0.6
259.07520	2.7
273.15082	0.7
277.08667	2.2
281.15411	0.6
299.16605	0.8
317.17474	0.7
330.17731	0.9
403.17496	0.6
404.21545	1.6
421.19003	1.1
421.24213	4.0
423.12216	0.8
439.13925	0.7
439.19092	0.6
439.25089	5.8
441.05301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01863	1.0
55.05505	2.6
57.03440	1.2
57.07073	1.1
61.77779	0.6
65.03911	0.8
67.05500	3.8
69.03436	6.2
69.07055	2.3
69.40015	5.8
70.06567	0.8
71.04992	0.7
79.05503	5.3
81.03407	4.4
81.07063	6.7
83.04983	2.9
83.08652	0.8
85.02907	4.8
85.06555	1.2
87.00823	1.2
91.05492	7.0
92.05829	1.0
93.07049	4.8
95.04967	5.0
95.08593	3.2
97.02888	2.3
97.06530	1.9
98.20700	1.2
99.04466	1.1
101.14521	0.6
105.07037	9.3
107.04948	3.8
107.08602	18.6
109.02890	3.3
109.06555	3.3
109.10162	6.6
111.04516	0.7
115.05447	1.8
117.03373	0.8
117.07036	2.7
119.04940	0.6
119.08571	4.4
121.06502	2.9
121.10141	10.8
121.27763	0.7
122.06011	1.0
122.07317	5.4
123.04395	0.7
123.08090	1.9
123.11678	1.0
125.09632	1.7
127.03908	4.9
128.01102	0.7
129.07018	1.5
131.08568	3.7
133.10135	100.0
134.10452	1.4
135.04398	1.3
135.08055	5.9
135.11697	2.4
137.06007	4.7
137.09622	50.7
138.06329	1.8
143.08562	1.2
144.09296	0.8
145.02834	1.0
145.04976	1.3
145.10136	3.1
147.04410	1.6
147.11726	3.8
149.09634	4.8
149.13277	8.6
151.11189	0.9
157.10223	0.9
158.10866	1.9
159.11697	1.1
161.05995	1.6
161.09589	1.3
162.43692	0.7
163.11171	0.9
163.14856	2.1
165.09088	0.8
171.11757	1.2
173.05925	0.7
173.13251	8.5
175.11176	1.4
175.14848	0.8
177.05493	1.5
184.07361	1.0
188.07899	1.0
189.12846	0.8
191.14316	40.9
192.14525	0.7
207.13875	0.8
213.04018	0.7
231.04913	0.7
231.08046	2.3
233.09656	2.5
233.15298	0.8
259.07654	3.0
277.08636	2.9
330.17810	1.2
335.18521	0.9
404.21576	1.9
421.13504	0.7
421.18842	1.4
421.24084	4.6
423.12708	1.0
439.14163	0.8
439.25076	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	439.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58416	0.4
53.03947	1.5
55.05513	1.0
55.54216	0.4
57.03438	1.2
61.02930	0.5
67.01860	0.8
67.05503	6.6
68.05817	0.4
68.99799	1.5
69.03428	3.4
69.07069	1.2
71.04995	1.3
71.58694	0.5
75.19095	0.3
78.04715	0.6
79.05499	1.4
81.03423	7.4
81.07066	2.0
83.04982	0.8
83.08620	1.1
85.02911	2.6
86.09718	0.4
89.03918	7.5
91.05480	3.0
93.07069	2.0
95.04975	1.6
95.08620	0.9
97.02892	3.3
99.04455	1.5
101.02379	4.4
105.07030	1.0
106.04160	0.5
107.04965	0.5
107.08589	0.8
109.02882	5.4
109.10158	4.3
111.08064	0.6
117.03380	22.5
117.07035	0.4
119.03442	2.5
119.08603	1.5
121.06540	0.4
121.10123	0.8
121.64296	0.3
127.03929	3.9
129.01884	0.8
131.08594	0.9
133.10146	0.6
134.03647	1.7
135.04416	2.4
135.07986	0.4
135.94138	0.3
137.06007	0.8
145.02847	53.1
145.10089	0.4
146.03166	0.9
147.04376	0.4
147.11708	0.9
149.05986	6.8
149.09641	0.5
157.10190	0.8
158.06027	0.5
161.04497	0.4
163.03931	0.9
173.11748	1.6
175.11079	0.6
177.05472	100.0
178.05811	2.9
184.07336	0.9
186.05502	3.7
193.12234	1.5
195.06529	1.3
196.81007	0.3
211.13239	2.6
220.66605	0.4
261.07550	0.6
306.27750	0.4
321.09793	2.4
421.11069	1.0
421.25513	0.6
439.12610	4.6
439.26846	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.8
67.05491	16.3
69.03429	12.7
69.07066	9.6
71.08631	56.6
71.59229	6.8
79.05479	10.1
81.03394	14.8
81.07055	9.8
84.75432	4.4
85.02905	22.4
87.00829	10.1
91.05473	9.7
93.07064	4.3
95.04949	10.2
95.08605	7.4
97.02879	11.2
97.06514	4.8
99.04478	6.6
99.08093	100.0
105.01859	11.0
105.07080	4.4
106.22379	4.3
109.02888	11.4
109.10202	5.6
110.07126	4.7
119.08585	5.6
121.10197	4.6
122.05999	9.8
122.34312	4.2
123.76441	4.2
127.03926	10.3
129.12758	20.2
133.92499	4.5
137.06017	6.3
145.02817	9.2
173.15379	78.3
177.05493	21.2
237.15906	4.4
259.07645	8.1
275.06903	4.9
276.07321	5.2
300.10114	6.9
325.18848	5.3
335.10443	5.3
363.10062	9.2
364.13303	14.5
374.09482	5.4
392.12781	13.7
420.12445	46.3
421.11957	10.4
438.13626	28.2
438.25522	17.0
438.33008	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	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01865	1.5
55.05493	1.6
56.96547	1.4
57.03428	1.7
57.07076	1.3
59.04971	1.4
61.02909	2.0
67.05511	2.1
69.03439	8.6
69.07074	3.9
69.36778	7.8
69.37200	4.0
71.04980	1.9
71.08632	51.5
73.02902	2.0
73.06560	3.7
74.26842	1.0
77.73724	1.1
79.05488	1.3
81.03432	7.2
81.07045	2.8
83.08582	1.7
85.02910	17.3
87.00816	8.2
91.05490	1.3
93.07034	1.6
94.76480	1.0
95.08636	3.8
97.02912	10.3
97.06490	1.3
97.10184	1.3
98.20718	1.2
99.04449	3.7
99.08096	100.0
100.30338	1.2
105.01870	8.2
105.07088	1.4
107.01011	1.1
109.02906	6.4
117.03405	1.9
119.04969	1.7
120.05299	1.1
122.06039	1.3
127.03912	11.2
129.12752	11.1
137.13271	5.0
145.02834	3.0
145.04959	3.6
147.04434	5.3
155.14311	15.8
159.02885	4.1
173.15381	77.1
177.05463	5.3
227.03470	1.3
231.04933	1.9
393.11313	1.2
420.23499	1.3
438.13437	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	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01862	1.9
55.05493	2.2
57.03437	1.4
59.04981	1.6
59.44430	0.9
61.02913	2.1
67.05498	3.0
69.03422	7.7
69.07063	6.2
70.87128	0.8
71.04996	1.1
71.08632	46.3
73.02912	2.0
74.93076	0.9
81.03414	5.9
81.07066	1.7
83.05003	1.1
85.02901	18.4
86.00114	0.9
87.00837	8.9
91.05462	2.3
95.04942	1.0
97.02887	9.7
98.20811	2.3
99.04455	4.5
99.08094	100.0
103.82069	1.0
105.01866	8.7
109.02871	5.6
117.01859	1.3
121.06469	1.1
122.05983	1.2
127.03924	12.1
129.12752	18.4
133.10201	1.5
137.06003	1.5
145.02922	1.4
145.04942	4.1
154.52208	0.9
155.14316	4.5
159.02888	4.1
173.15378	75.2
177.05481	4.5
193.30489	0.9
231.05013	1.8
321.09070	1.1
330.31403	1.3
335.10486	1.2
345.08752	1.0
346.16193	1.2
363.10187	3.6
364.13254	1.9
374.09097	2.4
392.12817	3.4
393.11346	1.6
395.08951	1.3
420.12402	10.7
421.11996	1.8
438.13336	6.0
438.25974	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	438.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.7
67.05469	1.0
69.03384	1.1
69.07013	1.0
71.08630	6.7
77.82771	0.6
79.05438	0.8
80.04969	1.1
81.07017	0.9
85.02863	1.5
88.15643	0.6
91.05445	1.3
95.08537	0.8
97.02848	1.1
97.06442	0.7
98.21478	1.2
99.08096	12.4
105.28073	0.6
107.04910	1.5
119.03365	0.8
127.03866	1.0
129.12704	1.6
137.05907	0.7
166.21094	0.6
170.14610	0.7
172.09972	0.6
173.15390	8.3
177.05359	1.1
202.07672	0.9
231.08014	1.0
242.07176	2.0
244.08905	0.7
245.09464	0.8
255.08017	0.8
257.05942	0.7
259.04996	0.9
259.07541	11.5
265.10080	0.9
268.08847	0.8
271.07492	1.1
277.10309	1.0
279.07855	0.8
282.09262	2.0
289.10110	1.7
292.08813	2.1
293.09564	3.9
295.07568	0.8
295.10934	0.7
296.08228	0.8
297.09076	2.7
300.10190	15.8
301.10410	0.9
305.09579	3.3
307.11118	3.0
308.08121	1.2
308.11627	0.9
309.09232	0.9
309.12622	1.0
311.10593	5.7
316.08691	1.7
317.09601	4.1
318.10306	2.0
319.11124	2.5
320.10928	1.2
321.08868	3.7
322.09549	1.4
323.10681	2.3
325.08377	1.5
329.09457	3.2
331.10065	1.2
333.09143	2.8
334.09775	2.5
335.10632	15.1
336.11035	2.1
336.14157	2.0
337.08469	1.0
337.12064	2.1
339.10193	7.1
345.09018	11.7
346.12759	5.3
347.10110	3.5
348.10248	2.2
349.07986	1.4
349.11185	2.2
350.08905	1.0
351.06509	0.7
351.10178	10.3
352.10339	0.9
358.09766	1.1
361.08557	1.8
362.09244	0.9
363.10092	22.4
364.13446	25.0
365.12552	1.0
367.09698	3.5
373.08414	1.2
374.08960	20.1
375.10162	2.4
379.09595	2.2
381.11157	1.1
385.10910	4.5
390.08627	0.8
390.11453	0.7
391.09375	4.9
392.12885	36.4
393.12527	1.1
395.09106	11.7
401.10410	2.9
401.73544	0.7
402.11343	5.0
403.12158	0.9
409.10791	5.9
420.12323	100.0
421.12625	4.8
438.13412	56.5
439.13782	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	437.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
57.03434	0.6
67.05478	0.4
69.03413	0.6
69.07052	0.4
69.27090	1.1
69.27513	3.2
71.04990	0.4
73.02925	0.5
79.05473	0.9
81.03402	1.1
81.07050	0.8
83.04935	0.4
83.08622	0.4
84.04495	0.7
84.08136	6.6
85.02898	1.3
86.09710	0.7
91.05485	3.9
93.07039	0.7
95.04966	0.8
97.02875	1.4
97.06568	0.6
105.01871	0.5
105.07033	1.1
107.08594	0.6
109.02877	0.6
109.06494	0.7
111.04467	0.4
119.08583	0.5
121.10173	0.5
127.03913	1.1
127.11177	0.4
130.08632	2.7
133.10129	0.6
137.05974	0.6
145.10136	0.4
147.11253	2.9
161.02972	0.5
169.01378	0.6
177.29698	0.4
181.04987	0.6
207.13742	0.5
215.10715	0.4
233.11899	0.4
245.06000	1.1
272.91278	0.4
273.05447	1.1
291.06546	1.2
293.09833	1.8
303.04990	0.9
304.05176	0.8
305.05560	3.3
329.08261	0.8
353.10699	0.9
355.14148	0.6
373.15698	1.4
374.06189	0.4
375.14117	6.5
377.11911	2.4
392.07315	0.4
437.14169	100.0
438.14456	4.2
438.24899	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52930	1.7
53.03923	4.1
55.05513	2.3
59.04999	3.0
61.02900	2.2
67.05488	7.3
69.03436	10.2
69.07076	2.9
69.54437	9.4
69.54851	6.7
70.06593	2.6
71.04987	3.5
79.05472	2.1
81.03419	6.5
81.07060	5.0
83.04999	2.2
84.08120	3.5
85.02909	19.3
86.09688	2.6
87.00816	7.4
87.50821	1.9
91.05471	14.3
93.06476	4.6
93.07040	65.6
95.04967	7.4
95.08607	53.9
96.78777	2.2
97.02873	9.3
97.06543	5.1
99.04432	2.7
101.06065	2.3
105.01862	17.7
105.07024	3.3
107.07874	3.1
107.08596	56.2
109.02866	7.4
119.08604	2.8
125.09570	2.3
127.03927	17.3
130.08649	2.2
131.08435	2.1
133.10164	2.2
135.11688	100.0
137.05989	2.4
142.81709	2.0
145.04921	8.0
147.04398	3.9
147.56035	1.9
153.12737	21.2
162.05460	2.1
171.13805	2.0
181.05075	3.6
187.10941	2.2
231.04980	7.0
249.06059	4.8
275.07083	5.1
304.05035	4.1
390.89093	2.2
436.16702	13.7
436.22379	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	437.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41554	0.9
55.05498	2.4
62.14073	0.9
67.05497	3.1
69.03413	2.1
69.07069	1.4
70.25556	4.7
79.05489	1.6
81.03423	2.3
81.07067	2.7
83.08614	1.0
85.02907	2.7
91.05473	3.3
93.07056	2.4
95.04953	3.4
95.08607	2.9
97.02920	2.4
105.07056	2.0
107.08593	2.0
108.66756	1.0
109.02863	1.0
109.10152	2.1
111.04464	1.2
119.08582	2.5
121.06522	1.7
121.10130	1.6
121.76058	1.2
122.06054	1.3
123.00793	1.3
125.09636	1.7
127.03941	1.9
133.10109	1.5
135.11664	1.2
137.06003	2.8
145.10167	1.7
147.04398	2.5
155.04993	1.0
183.06506	1.6
191.08588	2.6
197.56293	1.0
199.47310	0.9
200.06770	0.9
202.07738	1.4
203.08675	1.6
205.06465	1.5
218.07214	1.4
219.08084	4.1
231.08080	13.8
233.11838	1.1
247.07648	8.6
257.06018	1.7
275.07050	100.0
276.07343	3.2
276.10117	1.5
293.22055	1.0
299.73093	1.0
429.95792	1.0
437.20685	1.8
437.25745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64064	0.9
53.03945	6.9
55.01876	6.1
55.05512	7.2
57.03436	5.3
61.02926	4.1
65.03936	2.6
67.05504	9.8
68.99786	2.0
69.03439	21.1
69.07063	5.7
69.41028	1.7
69.41438	6.9
70.06600	1.4
71.04987	3.9
73.02914	4.3
79.05495	14.6
81.03423	16.4
81.07058	13.2
83.01350	1.4
83.04990	2.6
84.04507	1.0
85.02910	55.4
86.09715	1.2
87.00836	25.2
87.04478	1.6
91.03934	1.2
91.05491	20.4
93.07048	84.2
95.04969	7.5
95.08611	23.6
96.08947	1.0
97.02899	26.3
97.06535	4.4
99.04469	9.6
103.03955	1.6
105.01868	40.7
105.04545	1.1
105.07038	8.9
107.04936	2.5
107.08598	100.0
108.08929	1.2
109.02889	14.1
109.06535	5.4
109.10157	6.8
115.03924	2.4
117.01890	1.8
117.06987	1.4
119.08568	6.8
121.06486	1.4
121.10143	3.5
123.00791	2.1
123.04430	3.4
127.03925	40.9
127.11184	1.5
129.01837	2.3
131.08546	2.6
133.10144	2.5
135.11700	62.9
137.06023	1.6
137.09610	1.2
137.13226	1.7
145.03896	1.7
145.04970	22.6
145.10144	2.8
147.02914	1.1
147.04501	1.4
147.11609	1.6
148.07600	1.4
151.07562	1.5
153.12740	8.0
157.10075	1.5
159.02895	9.9
159.11671	2.8
163.11174	1.9
169.01323	2.7
169.10182	1.0
170.15399	1.7
175.11214	1.1
176.07085	1.2
177.12778	1.4
177.30110	1.0
179.07164	1.0
183.11823	0.9
189.03969	2.2
197.08200	1.1
201.12682	1.1
213.03836	1.8
225.12758	1.4
231.05031	13.8
243.13887	2.7
249.06073	5.0
252.78252	1.1
261.14865	1.7
284.09570	1.1
295.40829	1.1
303.05002	1.8
304.05457	4.5
383.16840	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	435.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30624	6.1
58.99857	7.6
61.02933	6.9
69.03434	21.6
71.59262	7.2
72.08157	10.1
73.02917	7.3
81.03413	9.7
85.02913	31.4
91.02450	17.5
95.04951	8.0
96.15337	7.0
97.02906	23.5
101.00900	8.0
109.03479	7.8
110.07132	8.0
119.01906	66.2
121.06517	20.6
125.87915	6.0
126.06667	51.0
127.03913	23.0
127.06994	13.9
129.05513	9.3
131.01912	14.8
133.03479	15.7
137.02962	23.2
137.06026	6.8
138.09142	7.4
145.04982	8.9
149.02975	94.2
151.04561	8.3
155.04663	11.7
161.02962	14.4
163.04469	29.8
167.04039	32.1
171.01436	7.4
173.03021	10.1
175.00880	70.2
176.18539	6.3
177.02397	14.1
185.02789	10.8
187.04572	7.9
189.02473	45.0
193.01979	29.6
203.00317	8.3
207.03485	13.8
217.01935	13.2
219.03540	16.2
227.00352	17.8
227.06650	8.5
236.07315	20.1
243.33467	7.3
245.01405	93.0
254.99829	13.2
259.03061	30.5
273.00912	100.0
277.03983	15.4
279.05902	8.8
284.93011	7.7
287.02576	23.5
305.03714	44.9
315.01962	23.3
319.05127	22.6
333.03036	24.7
337.06049	15.1
347.04596	46.6
365.05804	37.0
375.04443	21.7
435.07477	47.1
435.12747	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	435.0926
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03420	0.7
61.02930	1.7
67.05486	0.4
68.99784	0.5
69.03416	1.3
71.01356	0.3
71.04981	0.4
71.48230	0.3
71.48576	0.6
73.02922	15.5
81.03400	0.6
85.02916	2.0
85.03350	0.4
91.05474	1.3
92.05781	0.3
93.03439	0.5
93.07024	0.4
95.04974	0.4
95.08585	0.4
97.02884	0.4
98.97623	0.4
105.07053	0.5
107.04980	0.4
107.08601	0.8
109.02835	0.7
109.10159	0.4
111.00816	1.0
115.03947	1.3
121.02881	1.1
123.04464	0.4
125.09547	0.4
125.19188	0.4
127.03912	1.3
131.08545	0.3
133.10114	1.0
135.04411	0.4
137.02342	2.7
137.05940	0.4
145.10159	0.3
151.11128	0.4
153.01823	3.6
154.97459	0.3
159.11719	0.4
163.03937	0.8
165.01872	1.8
166.02548	0.7
169.01358	0.4
173.06032	0.4
181.04974	0.3
183.02934	0.9
183.04430	0.4
201.05479	1.5
229.04982	3.5
247.06078	0.5
257.04520	2.8
260.13617	0.3
274.04779	0.9
285.03925	1.4
303.05002	100.0
304.05191	2.0
307.10703	0.5
344.59082	0.3
434.66223	0.5
435.16226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	0.7
62.04755	0.4
67.05501	1.1
68.47718	0.5
69.03415	1.9
69.46575	4.0
71.05005	0.6
72.04511	0.5
76.02203	0.8
81.03428	0.7
84.04438	0.5
85.02912	5.0
86.99043	0.6
89.98061	0.4
95.08607	5.1
97.02871	0.9
99.04439	0.6
100.02187	1.6
103.95619	0.5
105.00100	0.8
105.07046	0.7
109.02909	0.5
119.04931	0.6
122.02739	7.4
123.08069	6.7
127.03908	2.1
137.06029	0.5
145.04968	0.6
146.02725	1.9
147.04346	1.3
151.07544	100.0
152.07919	1.3
154.04929	0.5
164.03801	0.5
171.62338	0.6
173.13136	0.5
198.78314	0.4
246.60254	0.5
248.05991	0.7
262.86151	0.4
265.01840	0.5
272.09442	9.8
284.07968	6.2
316.30591	0.6
324.07260	0.5
434.14301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95578	2.1
55.01873	3.8
57.03436	19.4
57.07088	2.4
59.04995	4.4
60.04506	2.7
61.02932	6.3
67.05499	4.0
69.03429	67.3
69.07069	2.7
70.06606	2.9
70.99509	5.8
72.08162	2.8
73.02908	7.4
75.04487	2.5
79.05482	3.9
80.95437	2.4
81.03419	9.2
81.07064	4.6
83.04988	4.3
84.04492	7.0
85.02906	79.7
87.04467	45.8
91.03970	4.4
91.05474	7.3
93.07061	3.2
95.04957	2.4
97.02890	62.2
97.06538	5.4
98.03224	2.8
99.04453	5.8
101.02355	2.2
103.03969	2.1
105.07037	22.3
107.08595	2.7
107.24255	2.1
109.02883	8.1
109.06483	2.7
109.10136	5.1
115.03928	92.0
115.04748	4.6
119.08575	6.3
120.08134	3.2
121.06532	3.8
123.04428	3.5
123.08081	2.4
123.11722	2.3
127.03938	22.7
129.05484	2.3
131.08603	3.4
133.04965	100.0
133.10222	3.6
133.17223	2.2
137.05972	7.4
145.04961	34.4
145.10104	4.1
147.04387	3.4
147.08011	2.7
150.07629	16.3
151.03877	3.3
163.06021	14.0
167.06984	2.4
181.04872	3.6
187.11458	2.4
189.09097	4.3
201.09113	3.3
231.10051	3.3
233.55730	2.3
234.87250	2.5
241.07080	3.0
259.08154	9.3
285.13403	7.0
295.10226	3.5
300.15991	10.4
434.13306	4.6
435.16168	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	433.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.4
57.03430	7.2
57.07081	3.2
67.05173	3.9
67.05507	50.2
69.07083	19.7
71.07368	3.3
71.08596	3.1
71.32346	4.7
71.32697	4.2
79.05495	35.7
81.07066	53.8
83.08611	11.7
86.09707	12.7
87.03066	3.1
90.25655	2.6
91.05479	22.3
93.07050	43.8
95.04955	5.6
95.08615	34.3
97.10185	3.1
98.98473	100.0
105.07033	16.1
107.08591	28.0
109.10155	19.6
114.95107	2.7
116.99486	4.0
117.07011	8.3
118.07639	2.8
119.08595	16.7
121.10145	26.7
123.11722	7.7
124.99998	7.6
131.08543	14.5
133.10114	9.4
135.11717	20.8
140.99506	7.6
145.10120	12.5
147.11664	9.0
149.13286	16.5
155.01044	25.6
159.11690	10.7
161.13263	8.4
163.14856	8.8
163.76578	2.6
173.02151	17.4
173.13333	5.8
175.14691	5.1
184.07367	35.8
187.14857	4.4
188.96751	2.6
197.02078	7.4
201.16144	2.8
243.21100	18.2
261.22144	70.5
317.24762	9.1
335.25800	58.0
351.92551	3.3
415.22577	9.6
433.23279	4.2
433.30573	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	434.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97462	0.8
70.42335	2.9
79.05499	1.3
81.07063	1.3
93.07035	1.1
105.07009	0.8
107.08569	0.8
113.32587	0.8
119.08560	1.1
133.06499	0.9
135.04387	4.5
137.05992	1.5
148.03964	2.3
151.07526	4.2
163.07648	0.9
165.09094	0.8
168.83287	0.7
177.09102	0.9
184.07385	0.8
202.07733	1.1
228.08112	1.7
229.08878	1.4
255.08051	13.1
256.07855	1.3
257.08395	2.7
276.09445	1.7
277.09836	1.7
287.07162	1.2
295.11160	1.4
302.09793	1.1
303.10300	1.5
304.11301	3.8
305.09579	11.5
306.09805	1.2
307.10004	1.7
314.09686	1.5
315.10342	3.9
317.08423	1.0
320.10815	1.6
321.11823	3.9
322.12314	12.9
323.10779	2.6
330.09085	1.3
331.09891	9.9
332.10745	15.2
333.11429	8.7
335.09528	1.0
336.10059	2.7
339.15970	2.1
344.10718	2.1
348.10434	2.2
349.10919	4.6
350.11749	74.8
351.12097	3.0
359.09265	1.7
360.10190	69.5
361.10562	3.4
362.11752	9.3
364.09622	3.1
377.10004	1.4
378.11258	15.9
388.09622	6.7
406.10745	100.0
407.10934	4.6
434.10303	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	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.83698	2.0
53.03935	2.8
55.05511	12.7
56.29167	1.8
57.03449	11.7
57.07076	3.2
60.08158	2.3
65.03927	2.7
67.05508	46.5
68.18026	1.6
69.07073	13.3
69.30956	16.7
69.31372	3.3
71.08599	2.2
79.05493	33.9
81.07061	56.1
83.08613	8.4
86.09694	13.3
91.05486	16.7
93.07053	34.1
95.04958	4.1
95.08054	3.0
95.08619	41.6
97.06544	2.7
97.10171	3.9
98.98473	71.7
102.04066	2.1
105.07037	15.2
107.08591	24.0
109.10155	24.5
111.08081	2.3
116.99476	2.3
117.07027	6.8
119.08585	13.6
121.10146	19.4
123.11690	9.9
125.00015	9.9
131.08562	6.6
133.10126	11.5
135.11682	14.5
137.05972	4.5
137.13261	3.4
137.69788	2.3
145.10132	9.6
147.11685	8.3
149.13286	11.2
155.01024	11.5
159.11708	7.8
161.13274	7.3
163.14784	6.6
173.02148	14.7
173.13266	7.7
175.14771	2.8
184.07349	38.0
185.07668	2.8
187.14760	3.6
213.15512	1.8
243.21117	14.4
261.22153	48.9
275.31949	2.2
279.23306	2.4
317.24881	8.8
335.25812	100.0
415.22549	4.6
433.23648	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	433.1344
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
51.22480	0.3
53.03939	0.9
55.01858	0.6
61.02917	0.4
67.05503	0.4
67.26134	0.3
69.03423	2.7
70.06582	0.4
70.58106	0.5
70.58490	0.6
70.66520	0.3
71.04993	0.6
72.08146	1.0
73.02901	0.7
74.06078	0.4
81.03415	2.7
81.07039	0.4
83.04968	0.5
84.04511	0.5
85.02901	5.8
86.09703	2.1
91.05468	1.0
95.04957	0.3
97.02889	4.0
97.06497	0.4
99.04452	3.4
103.03928	4.1
105.05234	0.3
105.07005	0.8
107.04948	1.0
109.02871	3.1
119.04953	1.0
127.03912	100.0
128.04282	0.5
133.06430	0.6
134.99690	0.5
145.04955	4.3
145.06076	0.4
145.06519	0.3
147.04404	3.4
161.05980	0.5
163.05989	1.0
167.07043	1.5
173.12834	0.7
175.17558	0.4
177.00662	0.3
177.95476	0.3
181.04941	4.7
187.06044	1.1
193.08435	0.4
221.08049	1.0
230.30244	0.4
249.07663	0.7
271.08279	0.8
392.02786	0.4
403.13974	3.9
433.16165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1493
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.81528	0.4
58.67866	0.4
62.12817	0.3
68.99734	0.5
69.03397	0.4
70.19285	1.1
70.19679	0.8
79.05431	0.5
81.06983	0.4
91.05439	0.6
104.43240	0.4
111.35995	0.4
123.21313	0.4
126.77818	0.4
127.03865	0.8
137.05858	0.4
149.02254	0.5
151.07497	0.6
163.03853	0.7
163.07442	0.6
165.05487	6.5
175.07423	0.5
178.06195	0.9
183.02837	2.8
184.07281	1.3
189.09166	0.5
191.06903	0.4
205.08568	0.6
211.02298	1.4
229.03310	1.0
255.06512	0.6
271.05817	0.8
281.04422	0.6
283.06201	0.8
283.09531	0.6
288.06161	0.5
289.06985	2.1
299.05408	2.3
302.04263	0.8
311.05441	1.7
311.09036	0.5
313.06979	0.5
314.07852	1.4
316.05432	0.5
317.06567	3.6
323.25266	0.4
325.06952	0.7
327.05066	3.2
329.06546	1.5
329.09998	1.0
331.07922	1.0
332.08878	0.6
339.05069	2.5
339.08591	0.5
340.05579	0.5
341.02985	1.2
341.06726	0.9
342.07309	1.3
344.05127	0.7
345.02106	0.9
345.06021	8.6
354.07407	0.5
355.04575	1.3
357.05954	1.4
357.09790	2.3
359.07584	2.0
360.08429	3.0
369.06079	1.0
370.06961	1.1
371.07587	0.9
373.05453	4.0
373.09183	0.5
375.10806	1.6
385.09155	6.8
387.07101	3.4
387.11282	0.6
388.07843	4.1
399.10602	1.4
400.11469	0.7
403.10229	72.4
404.10532	4.3
406.10458	0.5
417.11887	4.4
418.12537	7.6
419.13245	0.5
433.14948	100.0
434.15234	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	433.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.55939	0.2
55.01859	0.3
55.05525	0.2
56.96562	0.2
57.03445	0.2
58.39539	0.2
61.02911	0.2
64.66011	0.2
65.03933	0.5
67.05487	0.2
69.03430	2.1
69.40414	1.6
70.06583	0.1
71.04990	0.5
72.08161	0.3
73.02913	0.6
75.69376	0.1
79.05487	0.7
81.03421	2.8
81.07036	0.2
83.04989	0.2
85.02907	6.2
86.09698	0.5
91.03949	0.3
91.05486	0.3
93.07082	0.2
95.04958	0.6
97.02898	3.9
99.04456	3.9
102.91109	0.2
103.03297	0.3
103.03949	4.2
105.07073	0.4
107.04958	1.4
109.02142	0.2
109.02876	3.0
110.03652	0.3
115.03962	0.3
119.04931	0.3
123.04434	0.3
124.05167	0.2
125.05962	0.2
125.11404	0.1
127.03918	100.0
128.04272	0.9
133.06502	0.5
137.05965	0.3
142.02594	0.2
145.04956	3.7
147.04401	0.6
153.05493	0.3
155.06967	0.2
161.06010	0.6
163.06036	0.7
167.07024	1.5
169.04941	0.2
171.06543	0.5
181.04964	6.5
183.06541	0.2
187.06084	1.0
193.08575	1.1
199.06088	0.2
221.08060	2.1
249.07631	0.9
271.08289	0.8
289.09036	0.3
403.13904	5.4
411.10468	0.2
433.15979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03933	1.8
54.76079	0.9
55.01858	2.3
55.05503	1.8
56.96557	1.0
57.03423	4.0
62.95241	1.0
67.05508	2.4
68.99795	1.4
69.03442	6.2
69.07053	1.8
70.01871	5.6
70.06596	1.8
71.04985	3.0
71.71835	0.9
72.08131	2.1
73.02889	1.3
75.63733	1.0
79.01839	0.9
79.05470	2.2
79.28748	0.9
81.03411	8.0
81.07034	3.3
83.04969	3.2
84.04485	1.1
84.08135	1.2
85.02901	11.7
85.06535	2.7
85.07659	1.2
86.09701	1.9
87.06216	1.0
91.05475	2.6
93.07035	3.4
95.04970	3.4
95.08604	2.2
96.78801	1.1
97.02879	3.4
97.06509	5.0
97.46637	1.0
99.04449	4.6
103.03916	2.0
105.01832	1.3
105.07025	2.9
107.04957	2.0
107.08593	2.3
109.02883	6.1
109.06492	1.6
109.10129	1.2
111.04434	1.2
111.08083	1.6
113.05988	1.7
119.04925	3.5
119.08589	1.6
121.02864	14.5
121.06470	1.8
121.10153	1.5
123.04392	1.3
123.08041	2.0
125.05975	1.8
125.09609	2.8
127.03905	9.2
131.04929	1.4
131.08530	1.1
135.04382	1.3
137.05940	2.6
139.07556	1.1
141.09116	5.7
145.02869	3.1
145.04935	3.0
147.11707	1.7
149.09633	1.7
151.03882	2.7
159.04341	1.2
161.05963	1.5
163.03918	3.1
164.07104	2.1
165.01825	7.9
165.07248	1.2
167.03445	1.5
167.10661	4.1
167.14304	3.3
169.12283	1.2
177.05463	1.2
181.04936	4.1
183.02885	6.0
185.11722	19.9
185.15268	1.4
187.03900	1.4
191.03429	1.4
195.03024	1.8
205.05034	1.8
211.13261	1.2
213.05417	2.3
215.06978	3.0
217.05063	2.2
217.12207	2.1
235.13216	1.3
241.08640	1.0
242.05630	1.2
243.02750	1.6
253.14310	1.9
255.06544	3.9
256.07233	4.3
259.09702	1.7
261.03958	3.2
267.06497	4.4
270.05203	1.9
271.05939	7.3
279.06451	2.1
281.08060	4.3
283.06012	100.0
284.06763	28.8
285.07248	1.5
287.05539	3.1
295.05984	13.6
295.09103	1.9
297.07535	11.6
305.07886	1.3
307.05969	1.3
308.06723	2.3
309.04108	2.3
309.07513	16.8
311.05423	2.2
313.07050	89.3
314.07495	2.9
321.07660	1.9
323.05457	2.1
323.09119	21.5
325.07010	2.9
333.07632	2.8
337.07068	36.4
338.07281	1.5
343.08105	3.5
349.07108	6.2
351.08615	5.2
355.08041	1.5
361.07043	7.0
367.08081	25.4
368.08203	1.7
376.28381	1.1
379.08124	18.6
380.08463	1.2
397.09167	31.0
397.17316	1.4
398.09238	1.6
415.10208	35.9
415.18701	2.1
416.10562	2.2
433.11191	58.2
433.23807	1.8
434.11682	2.4
435.84384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75601	0.7
53.03946	4.1
55.01864	1.0
55.05511	0.8
57.03427	2.8
61.02918	2.9
65.03934	1.6
67.57164	0.7
69.03426	12.2
70.75397	2.4
71.04999	7.9
73.02913	3.0
81.03420	12.7
82.56529	0.7
83.04989	0.9
85.02905	75.8
86.09702	1.3
87.04480	1.3
89.99241	0.8
91.05482	66.3
92.05817	0.9
95.04964	1.0
95.08660	0.7
97.02893	27.8
99.04456	43.0
100.96122	0.6
103.03942	95.9
104.04249	1.1
105.07033	1.3
109.02886	18.0
111.04426	0.8
115.03948	1.7
117.07084	1.0
127.03918	100.0
128.04256	0.9
129.05472	0.8
129.07014	2.0
131.08505	0.9
137.05917	0.8
139.41647	0.7
143.08582	1.1
145.04961	58.6
157.06497	1.1
163.06020	56.0
167.10788	0.8
169.04964	1.4
170.46223	0.8
171.08063	1.1
175.07527	1.7
185.11743	1.8
187.06058	6.7
199.07585	2.0
205.07100	4.8
217.08643	4.7
235.09644	1.9
251.66283	0.7
253.07146	1.3
253.10757	1.6
271.08136	7.6
287.05515	14.2
289.09161	7.2
307.10266	11.3
361.12875	1.1
379.13983	1.1
397.15005	1.2
432.19226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	28.9
57.03418	7.4
57.07079	39.7
67.05497	14.6
69.03403	3.1
69.07071	43.4
69.83224	2.8
71.05028	2.8
71.08625	28.8
73.06563	4.0
79.05499	10.4
81.07057	30.4
83.04971	4.3
83.08617	30.5
85.10175	20.9
92.28384	3.3
93.07036	14.2
95.08599	29.8
97.06517	7.2
97.10165	24.4
98.20720	5.8
107.08575	8.8
109.10164	15.4
111.08085	5.2
111.11705	5.2
121.10146	11.4
123.11675	5.1
125.09605	6.8
135.11678	12.8
137.13214	3.5
139.11185	6.5
149.13280	8.9
150.85251	3.8
153.12726	5.2
163.14809	4.5
167.14291	5.4
177.16466	5.0
181.15919	4.0
183.50366	3.0
185.15529	4.1
195.17668	3.8
213.16220	3.2
223.20615	4.7
230.06689	3.5
303.30511	11.9
321.31573	25.4
379.82181	3.3
395.35120	9.1
413.36295	100.0
414.36395	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	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
55.01871	5.6
55.05508	15.6
57.03212	2.1
57.03443	16.9
57.07065	3.3
61.02928	19.1
67.05506	56.8
68.05830	2.3
69.03430	29.1
69.07071	19.0
70.44199	1.6
70.77460	3.8
71.01374	2.6
71.04991	6.5
73.02920	12.3
79.05499	31.5
81.03423	27.8
81.07059	71.7
82.03787	1.6
82.07417	2.2
83.04986	18.9
83.08630	11.9
83.09036	1.8
85.02428	2.3
85.02910	33.2
85.06547	4.7
87.04454	1.7
91.03963	15.5
91.05474	24.7
91.05935	2.2
93.07048	53.2
94.07403	2.3
95.04975	9.8
95.08614	21.1
97.02897	21.5
97.06530	11.5
97.10145	2.1
99.04457	7.9
99.08099	4.6
100.69917	1.8
101.02386	5.3
103.03970	4.2
105.07053	15.0
107.04952	4.0
107.08596	25.5
109.02891	9.4
109.06522	5.1
109.10155	4.9
111.04445	5.5
111.08093	6.5
117.07015	10.0
119.08573	11.0
121.06525	4.3
121.10148	13.2
123.11668	2.7
125.09633	1.9
127.03135	2.3
127.03911	13.1
129.05467	8.2
129.06995	3.2
131.08571	10.9
133.06532	2.5
133.10143	13.8
135.11665	12.8
137.05986	2.6
139.11137	1.9
145.04990	3.7
145.10141	4.8
147.11705	7.3
149.09677	2.0
149.13254	37.2
150.93881	2.0
155.08563	2.1
157.10083	2.4
159.11685	24.4
161.13275	4.4
164.07172	1.8
165.12747	2.4
167.14354	2.1
173.09808	1.8
176.07150	2.5
176.10715	5.0
177.11325	3.5
177.12769	18.1
179.14317	3.3
184.07321	5.1
193.12241	1.9
195.13800	28.4
197.68150	1.9
201.07578	2.8
204.10173	2.4
205.10690	2.7
206.11137	2.3
213.14845	6.5
219.13924	3.1
219.31836	2.2
233.15350	2.5
269.17487	100.0
270.17850	2.6
297.16885	3.4
303.16016	2.3
365.20212	1.9
377.19382	2.7
387.23154	1.8
402.22327	2.5
406.86472	1.8
413.21585	11.4
431.22083	11.0
431.26331	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	431.2278
Annotation	Hierapolitanin D
Peak:m/z	Relative Intensity
53.03949	4.2
55.01875	3.2
55.05510	13.1
57.03438	18.6
57.07072	1.8
61.02926	20.6
65.03944	2.1
67.05507	50.2
68.05827	1.3
69.03433	23.3
69.07072	16.6
69.48201	13.2
71.01339	1.5
71.04987	5.7
73.02927	9.6
79.05493	27.3
79.65247	1.3
81.02974	2.2
81.03421	23.2
81.07059	64.3
83.04981	19.8
83.08614	12.0
85.02911	28.6
85.06549	3.1
86.09714	1.6
91.03969	10.3
91.05475	22.1
93.07042	46.5
95.04983	10.6
95.08614	18.1
97.02890	21.3
97.06521	9.3
97.10184	2.1
99.04453	5.1
99.08090	3.4
101.02392	6.7
103.03934	3.9
105.07034	12.7
107.04963	5.2
107.08595	20.9
108.05317	1.7
109.02871	6.5
109.06537	2.4
109.10175	3.4
111.04431	3.6
111.08068	7.7
113.06015	1.6
117.07036	9.2
119.08560	7.0
121.06484	2.7
121.10143	12.3
123.04458	1.8
123.11726	3.7
124.99957	1.4
127.03912	12.3
129.05461	8.9
129.06979	3.2
131.08583	11.9
133.10146	15.6
135.08089	1.8
135.11682	9.9
137.05939	2.0
143.08565	2.0
145.04982	3.5
145.10085	2.1
147.11687	5.5
149.09694	2.4
149.13264	35.7
157.10132	2.3
159.11696	22.9
161.13239	3.6
165.12752	2.8
171.08063	1.3
171.11646	1.5
173.13251	1.4
175.11194	1.6
176.10765	2.4
177.11253	3.3
177.12727	18.1
179.14317	5.6
179.64052	1.9
183.06586	4.3
184.07321	4.1
193.12282	2.9
195.13823	30.1
201.07562	2.4
205.10593	2.9
211.13245	1.7
213.14809	3.3
233.15395	2.1
267.15988	1.9
269.17493	100.0
270.17813	2.9
271.20609	1.9
273.45682	1.4
275.16516	2.1
297.17007	4.1
303.16058	2.7
311.18573	3.8
323.18427	1.5
339.18234	2.7
377.19583	3.5
387.24219	1.8
395.20599	2.5
413.21329	11.9
431.21997	9.2
431.26306	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	431.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
64.29131	0.9
69.03436	2.3
70.06583	3.7
72.08152	11.3
81.03419	1.8
83.04954	1.5
84.08144	1.7
85.02892	2.6
85.06563	1.1
86.09698	11.4
91.05452	1.1
97.02904	2.1
98.97591	1.4
99.04439	1.2
105.01831	1.3
105.07058	1.0
106.06510	1.2
107.04920	1.1
107.08572	0.9
109.02876	1.4
116.98618	1.3
117.15125	1.1
119.08588	1.7
124.07544	1.3
127.03918	1.9
135.04419	1.2
136.07579	1.0
137.05925	1.5
138.06349	1.3
148.06055	1.9
152.07042	2.7
157.13373	3.8
163.03923	3.6
177.05537	1.1
185.12898	4.1
187.07753	1.0
231.56590	1.0
239.17421	1.4
247.12892	5.7
280.15521	1.6
284.19650	1.6
287.10999	2.9
369.15088	6.2
371.12933	1.9
413.20853	2.2
431.15213	100.0
431.21640	6.6
432.15555	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	430.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.03436	16.3
57.07077	10.8
59.04998	2.7
61.02926	2.3
63.04493	22.6
69.03429	53.1
69.59818	1.0
70.06573	1.4
71.37161	2.5
73.02911	4.3
75.04483	2.1
79.05458	1.0
81.03410	4.4
84.04521	1.4
84.29671	1.1
85.02906	44.1
86.09705	5.8
87.04468	43.8
95.04963	2.2
97.02890	50.8
99.04430	1.9
101.09641	1.4
106.06564	10.1
109.02884	2.3
115.03931	84.7
119.10693	100.0
123.04459	1.6
127.03925	7.4
133.04965	74.2
139.03844	1.4
145.04933	8.9
147.07748	1.4
147.78679	1.0
150.07599	5.4
154.02473	1.0
161.11746	1.7
163.05901	1.1
184.07376	2.6
189.09091	2.2
207.10210	1.9
211.05934	1.1
227.04301	1.0
241.07007	3.2
251.14941	3.3
259.08084	5.1
277.09308	1.7
281.15991	2.0
295.10275	3.0
302.38892	1.0
430.19876	2.1
431.14780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17395	2.0
55.01873	3.8
55.05512	5.3
56.05042	9.3
57.03440	5.5
57.07082	3.0
58.06600	6.2
59.04997	3.0
61.02933	3.8
65.03950	2.2
66.96719	2.1
67.05497	13.4
69.03433	17.5
69.07079	7.1
70.06592	6.7
71.04987	4.8
71.10436	5.0
72.04534	2.2
79.05506	6.7
79.41561	2.3
81.03429	6.6
81.07038	13.2
82.06590	3.1
83.05014	6.4
83.08588	3.7
84.04522	2.7
84.08146	10.6
85.02902	27.6
85.06563	7.0
86.06070	3.4
86.09717	10.2
91.03983	2.3
91.05489	14.5
93.07034	10.9
94.06565	4.9
95.04987	8.6
95.08615	25.2
96.08130	12.8
97.02889	17.3
97.06540	7.2
98.09727	5.3
99.04474	9.1
101.04320	2.8
105.07048	20.4
107.04996	2.8
107.08611	25.8
108.08119	32.2
109.02883	4.9
109.06522	20.3
109.10168	18.1
110.06048	3.1
110.09708	4.0
111.04476	3.2
111.08106	4.0
113.05989	2.4
115.07536	3.5
116.07146	2.0
117.07026	2.6
119.08597	11.0
121.06526	2.3
121.10150	22.6
122.06030	2.3
122.09691	7.2
123.08067	20.8
123.11729	3.3
125.06055	2.3
125.09669	6.0
126.05532	3.2
127.03938	8.8
129.07065	2.7
131.08583	10.1
133.10123	17.6
134.09644	2.9
135.08069	9.4
135.11725	9.3
137.06000	4.8
137.09593	4.4
137.13231	2.4
143.08626	3.6
145.04958	4.9
145.10100	4.5
147.11690	12.4
148.11258	8.7
149.09552	16.4
149.12190	2.4
149.13295	5.5
150.09122	2.5
150.12833	2.3
151.07591	3.9
151.11208	6.2
152.14410	2.9
153.09039	4.3
159.10500	3.2
160.11230	4.9
161.08424	3.6
161.13283	2.4
162.12862	4.8
163.11261	5.8
163.15009	2.4
165.12819	9.8
167.14375	4.3
168.06624	2.5
173.13318	11.0
174.12822	4.7
175.11304	5.2
176.10741	12.6
180.13875	3.5
181.12355	6.8
186.07626	4.5
189.09135	4.3
189.12796	10.1
190.15938	5.6
191.14342	6.5
192.13948	6.8
204.08675	18.0
206.15475	7.1
207.10373	2.6
207.13818	27.1
208.17058	7.9
209.15334	19.9
220.56638	2.3
222.09836	6.6
224.16585	6.0
232.16960	23.0
233.15295	4.5
250.18037	100.0
261.03613	3.8
268.19128	21.2
288.12616	2.4
296.09247	4.0
374.05072	2.3
392.40396	2.8
412.23416	12.0
428.50635	2.8
430.19656	3.7
430.24551	76.0
431.15338	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	430.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.63763	0.5
55.01876	1.4
55.05494	0.9
57.03427	1.6
57.97132	0.4
61.02927	2.7
65.03889	0.5
67.05508	1.1
69.03428	4.3
69.07078	5.6
69.95895	2.6
73.02882	0.7
79.05500	2.6
81.03419	2.7
81.07047	1.9
82.06597	0.5
83.04991	0.9
85.02910	19.3
91.03987	0.8
91.05441	3.1
94.69183	0.5
95.04980	1.3
95.08657	0.7
97.02914	5.9
97.06540	7.2
99.04481	1.2
103.05469	0.5
105.07022	0.6
109.02852	2.4
117.07043	0.9
119.04942	3.1
119.08602	0.5
123.04417	1.8
125.02346	0.6
127.03929	3.7
131.04965	0.6
131.08665	0.6
135.04446	0.5
136.07536	0.7
137.05983	21.7
145.04936	3.9
145.06599	0.7
147.04414	1.0
149.05984	0.6
151.07567	0.6
159.07971	0.6
160.05212	1.2
161.06003	0.8
163.03860	0.5
165.05472	4.6
172.03920	0.7
173.06015	1.6
180.08617	1.1
185.09659	0.8
186.06714	0.7
187.11189	1.0
190.40742	0.5
191.07043	20.6
204.07890	0.7
215.10683	5.9
233.11732	100.0
234.12099	1.4
251.12802	9.3
257.11707	0.9
275.12833	0.8
341.13629	0.5
347.10065	0.5
359.14944	1.8
370.11652	0.6
377.15839	0.9
430.21408	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	430.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17584	0.7
51.66011	0.7
55.01862	0.8
55.05509	1.0
57.03433	2.9
67.05506	1.6
69.03431	4.1
69.07080	0.8
70.06589	1.7
71.04988	2.2
71.56642	1.1
72.08150	1.2
73.94170	0.8
79.05489	2.4
81.03419	3.9
81.07056	2.8
83.04977	1.3
84.96017	0.9
85.02903	7.6
86.09702	3.4
91.05474	13.5
93.07040	1.9
95.04975	2.0
97.02905	3.2
97.06544	2.1
99.04444	1.3
105.01892	1.0
105.07016	2.8
107.04955	1.2
107.08589	2.8
109.02883	2.6
109.06509	1.5
111.08057	1.0
117.07040	1.7
119.04947	7.6
119.08609	1.6
120.04459	2.3
120.08063	0.8
121.10168	1.3
122.06059	1.0
123.04459	0.8
124.07544	1.0
127.03920	3.9
128.06227	1.0
129.07007	1.6
131.04968	1.1
131.08534	1.2
133.06497	1.4
134.99542	0.9
135.04466	1.1
135.08043	2.5
136.07590	3.0
137.05984	100.0
138.05455	1.5
141.06926	0.8
143.08530	1.5
145.04958	1.9
145.10136	1.9
147.04414	1.3
147.08049	1.0
148.03954	6.7
149.06033	1.4
149.13152	0.8
152.07066	1.5
154.07637	0.9
157.10149	1.0
160.05183	1.0
161.05971	3.9
163.07529	2.9
163.11226	2.7
164.07115	4.6
164.11513	2.2
165.05521	0.8
166.05020	18.8
167.07018	4.7
169.10170	1.4
173.06024	1.5
175.07567	1.0
177.00714	0.9
177.05573	0.8
184.06085	14.7
185.09689	1.4
187.07492	1.0
187.11250	1.7
189.09140	6.4
191.07050	1.7
197.09691	1.7
207.10094	3.9
213.09102	1.7
215.10651	4.4
227.09181	5.6
233.11745	7.0
237.02736	1.0
251.12701	4.5
303.04965	0.9
390.34055	0.9
416.15515	1.0
430.17804	2.8
430.21194	1.4
431.18777	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01863	1.6
55.05515	1.2
56.96578	0.9
57.03439	1.9
61.02925	2.3
67.05500	3.2
69.03445	5.2
69.07066	5.4
70.06581	1.1
71.58940	1.6
71.59370	1.3
74.25380	0.9
74.28472	0.8
79.05480	2.2
81.03413	4.0
81.07055	2.4
83.04954	1.0
85.02912	17.1
86.09737	1.6
91.03971	2.2
91.05502	3.2
93.07050	1.3
95.04973	2.7
97.02902	6.0
97.06513	7.8
98.11327	1.1
99.04458	2.0
105.07015	1.3
107.08607	1.4
109.02893	3.0
109.10174	1.0
113.40258	1.0
119.04952	2.9
119.08529	1.5
121.10145	1.5
122.06059	1.0
122.78592	0.8
123.04440	2.0
124.07661	1.5
127.03919	4.4
135.04463	1.3
136.05151	1.1
136.07559	1.6
137.05975	20.5
145.04961	3.4
147.04430	2.2
149.05959	1.3
164.07137	1.5
165.05501	2.8
166.08609	1.1
172.03943	1.1
173.06027	1.2
181.04906	1.2
184.07452	1.6
187.11165	1.4
191.07033	19.7
197.09767	1.0
204.06358	1.1
215.10590	5.6
233.11720	100.0
234.12109	2.1
243.11324	2.4
243.86029	1.2
251.12791	9.4
278.18182	1.0
341.13831	1.0
345.09967	1.0
359.09259	1.0
359.14819	2.1
370.11752	1.3
370.62027	1.4
430.21243	1.9
430.30728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38155	1.2
53.03963	1.4
55.01863	3.0
55.05514	1.4
57.03428	4.4
61.02914	3.9
65.03937	1.2
67.05499	3.4
68.05830	1.2
69.03430	10.5
69.07074	7.5
69.67650	3.4
69.68079	5.7
70.06600	2.5
71.04979	3.1
73.02890	2.4
75.81122	1.0
79.05488	9.1
80.91904	1.1
81.03417	6.9
81.07064	2.4
83.04980	2.4
85.02907	37.8
86.09698	1.7
91.03957	1.5
91.05463	6.3
93.07024	2.0
95.05004	1.8
95.08624	1.9
97.02887	11.5
97.06532	78.5
99.04465	2.6
103.57269	1.3
105.07006	4.7
107.04956	2.3
107.08605	2.4
109.02875	6.2
109.10155	1.9
111.04475	1.3
116.98628	1.2
117.07035	1.2
119.04945	4.3
119.08617	2.5
121.06506	1.5
122.06045	1.2
123.04443	3.2
127.03916	5.9
131.08522	1.3
133.06525	1.4
133.10184	1.6
135.04463	2.4
136.07613	2.5
137.05980	46.1
145.04970	3.5
145.06381	1.4
145.10117	1.8
147.04413	7.0
151.07555	2.8
153.01784	1.7
153.05522	1.4
163.11298	1.5
164.04492	1.6
164.07031	2.5
165.05507	8.4
177.09196	1.7
181.04994	1.4
184.07370	1.6
189.09119	9.1
207.10141	15.3
215.10654	2.3
225.08034	1.2
231.10185	4.1
233.11725	100.0
235.09549	1.6
251.12790	46.4
268.15710	2.1
269.13879	4.1
275.12848	1.7
277.10764	2.4
313.03363	1.5
341.13849	1.4
355.08231	2.4
399.10626	1.8
413.17279	1.7
430.17380	5.7
431.18539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05509	2.0
57.06822	1.0
57.07080	11.2
62.23374	0.8
67.05498	3.7
69.07056	3.6
71.08638	9.0
71.55879	2.0
79.05466	1.3
81.07076	6.6
83.08610	2.3
85.10187	5.2
88.98844	1.1
91.05470	1.8
93.07027	2.7
94.19176	0.9
95.08601	4.8
97.10182	2.5
104.01774	1.0
105.07048	1.1
107.08576	3.9
109.10177	5.5
111.11702	1.2
119.08586	3.6
121.06529	4.3
121.10143	2.4
122.07296	1.6
123.08057	1.0
124.16808	0.9
131.08609	1.7
131.70517	0.9
135.08058	4.5
135.11684	1.3
136.08839	2.8
137.09637	11.1
139.07457	1.9
145.10104	1.8
149.09607	13.3
151.07541	1.2
159.11700	1.8
163.07526	1.2
163.11186	22.2
164.08333	4.5
165.09123	100.0
166.09383	2.3
173.09637	2.7
173.13290	1.8
175.11151	4.7
176.08406	1.8
177.09114	11.2
177.12796	1.7
179.10765	1.1
186.10245	1.1
187.11176	2.2
189.09259	1.1
189.12817	2.0
190.09874	1.7
191.09087	1.3
191.10669	8.7
193.39821	0.9
201.12735	3.4
203.14282	1.6
205.12271	10.3
215.14355	1.0
219.13838	4.8
233.15436	2.9
247.17044	1.4
261.18509	1.2
275.19974	2.0
278.45053	1.0
289.21725	1.6
303.23361	3.2
317.24808	1.6
345.28351	1.1
373.30859	1.2
401.34229	2.5
411.36151	2.6
429.37296	68.4
430.38013	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05495	2.4
57.07073	17.0
67.05492	2.9
69.07071	2.3
70.49628	5.5
71.08633	12.8
72.00541	1.4
81.07043	6.0
83.08626	3.3
85.10169	7.8
87.28377	1.5
93.07038	2.1
95.08613	6.8
95.67009	1.9
107.08593	4.9
109.10150	3.7
119.08607	2.7
121.10129	3.5
128.83482	1.5
131.08519	2.7
135.08061	5.6
137.09627	5.9
139.07532	2.2
143.93016	1.6
149.09628	12.7
159.11719	2.2
163.11195	19.3
165.09123	100.0
173.09604	2.2
173.13208	2.1
175.11209	5.6
176.28558	1.5
177.09128	10.4
177.12770	2.8
179.10622	1.9
187.11107	2.1
191.10707	11.5
201.12746	4.2
205.12221	9.6
215.14377	1.9
219.13797	6.8
233.15411	3.2
238.73306	1.7
243.68472	1.6
247.16936	1.7
289.21671	2.3
303.23239	2.5
315.69397	1.7
317.24603	1.7
399.36615	1.8
401.34161	3.0
411.36206	2.3
429.32050	3.3
429.37302	55.6
430.37625	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	429.3
Annotation	Kuguacin P
Peak:m/z	Relative Intensity
53.03930	4.8
55.01870	3.2
55.05497	6.5
57.03433	5.6
57.07071	10.9
61.02906	2.5
67.05503	26.1
69.03422	10.9
69.07088	5.7
71.04971	2.5
71.59148	4.5
72.26572	2.8
78.44956	2.3
79.05492	8.6
81.03400	6.3
81.07058	22.0
82.26523	2.5
83.04965	4.9
83.08583	3.5
85.02914	11.0
85.06541	100.0
89.66410	2.1
91.05419	12.0
93.07030	11.8
95.04990	15.6
95.08612	13.1
97.02869	4.8
97.06527	3.6
99.04457	5.3
100.19752	2.8
105.07009	14.1
107.04970	3.5
107.07947	2.2
107.08582	13.1
109.02874	27.5
109.06557	3.0
109.10124	11.2
117.07046	2.7
119.08560	11.3
121.06506	5.1
121.10150	6.6
122.06036	2.8
123.04438	20.8
123.08051	6.3
125.05962	4.2
125.09604	18.8
127.03949	3.7
129.07013	5.7
131.08537	14.4
133.10152	13.5
135.11707	3.5
137.05956	7.0
137.09625	3.8
139.11124	3.7
141.09088	22.9
142.07744	4.0
143.08583	10.4
145.10123	18.1
147.08063	4.7
147.11688	7.9
149.09671	3.5
151.11232	4.8
155.08534	3.6
157.10132	22.1
159.11678	7.9
161.09657	2.6
163.11217	4.3
165.09119	48.1
167.10707	4.4
169.10126	6.2
171.11726	13.1
173.13252	4.6
175.11200	5.3
175.14804	2.5
179.10670	31.9
181.10063	3.7
183.11684	6.2
184.07339	2.4
185.13263	3.0
189.09082	3.2
195.11839	3.7
197.13179	2.9
209.13200	2.4
211.14856	7.3
213.16388	25.8
214.52821	2.2
227.17978	4.3
229.15939	5.2
231.17464	6.5
237.16411	2.8
249.16377	4.7
251.17947	8.9
269.18976	15.6
271.20456	4.0
297.21790	2.7
315.23273	6.4
317.16849	2.7
359.02896	3.1
375.26801	4.6
383.29483	3.2
393.27927	16.0
411.28940	90.5
412.29245	4.1
429.30032	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3
Annotation	Kuguacin P
Peak:m/z	Relative Intensity
53.03945	4.4
55.01882	2.8
55.05490	8.9
57.03424	5.8
57.07073	11.2
67.05505	30.0
69.03424	5.3
69.07043	7.7
71.04978	3.8
71.59155	3.1
79.05476	8.8
81.03403	7.7
81.07054	23.0
83.04975	7.3
83.08610	5.0
85.02902	9.7
85.06541	88.6
91.05406	11.1
93.07037	15.7
94.06558	3.4
95.04959	16.6
95.08597	14.3
96.16968	2.4
97.02879	4.1
97.06508	5.3
98.47156	2.2
99.04415	4.0
99.08031	2.8
105.07011	17.5
107.07864	2.2
107.08587	12.8
109.02879	24.0
109.06455	2.7
109.10143	14.9
111.04478	2.4
111.08112	2.9
117.06983	4.0
119.08584	15.6
121.06494	5.5
121.10125	10.0
122.06025	4.5
123.04426	31.2
123.08084	6.6
123.11716	3.2
123.17787	2.1
125.05994	2.8
125.09635	16.2
127.03890	3.4
129.07008	6.4
129.55321	2.3
131.08560	14.2
133.10161	17.7
135.08075	5.0
135.11681	6.0
137.05931	9.2
137.09601	6.3
139.11194	5.4
141.09103	25.7
142.07785	4.1
143.08490	12.0
145.10139	22.1
147.08035	5.2
147.11665	6.2
151.11226	7.3
155.08534	4.1
157.10126	27.8
159.11728	13.1
161.09622	5.9
163.11137	3.2
165.09103	67.2
167.05536	3.9
167.10612	3.1
169.10153	5.4
171.08272	2.7
171.11662	14.7
171.20506	3.1
173.13193	3.6
175.11165	3.5
179.10670	28.4
181.10181	3.1
183.11722	6.4
185.13217	7.3
187.14793	2.7
192.95297	3.0
195.11740	6.4
197.13300	3.1
199.14903	3.0
207.13878	2.3
209.13242	5.8
211.14851	9.7
213.16371	31.6
218.32480	2.5
223.14922	2.9
225.16484	3.4
229.15805	6.3
231.17426	7.9
237.16310	2.5
251.17915	11.5
253.19519	3.6
269.18964	18.2
297.22256	2.9
315.23145	3.0
375.27094	4.0
393.27945	17.3
411.28918	100.0
412.29599	3.3
429.16351	4.6
429.29999	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01874	8.7
55.05512	19.5
57.03436	26.2
59.65000	1.8
61.02925	30.2
65.03934	5.0
67.05173	2.7
67.05506	32.9
69.03435	26.1
69.07072	6.5
69.53493	17.3
70.06595	2.9
71.01351	6.4
71.04983	6.2
72.08140	2.0
72.77347	2.0
73.02917	19.3
75.60483	2.1
79.05490	36.3
79.23265	1.9
81.03418	92.5
81.07056	30.2
83.04984	14.4
83.08621	16.2
85.02907	42.2
85.06552	3.7
86.09695	3.1
87.04512	2.4
91.03960	16.5
91.05470	35.1
93.07044	27.4
95.01283	4.7
95.04967	100.0
95.08601	15.6
97.02890	36.2
97.06528	15.2
97.10188	9.8
98.21511	2.0
99.04452	6.7
101.02397	4.0
103.03944	13.1
103.05456	4.0
105.03426	2.0
105.07023	24.1
107.04951	25.0
107.08604	17.3
109.02885	23.3
109.06512	14.0
109.10159	2.9
111.04445	11.1
111.08079	9.3
111.28770	2.0
115.05457	5.5
117.05493	2.0
117.07001	11.5
119.04948	7.4
119.08588	19.3
121.02838	2.4
121.06500	14.1
121.10139	12.9
122.62099	2.0
123.04420	56.5
123.08057	4.5
123.11732	2.1
125.09627	5.0
127.03909	15.5
128.06245	2.9
129.05473	2.7
129.07007	14.6
131.04948	7.4
131.08585	15.5
133.06474	7.9
133.10107	9.4
135.04419	3.8
135.08047	9.6
135.11697	8.7
137.05951	14.1
139.03922	2.5
141.05492	2.3
141.06918	3.1
143.08575	6.3
145.04951	5.4
145.06454	9.9
145.10117	18.8
147.04390	16.8
147.08040	13.1
147.11668	12.8
149.05969	9.9
149.09648	7.8
153.08990	4.1
155.08484	2.3
157.06447	2.5
157.10086	10.2
159.06477	2.2
159.08046	3.4
159.11626	2.8
161.05988	8.6
161.09673	6.1
163.03909	4.8
163.07532	6.0
163.11171	29.0
165.12692	4.2
167.07100	4.3
171.08061	2.1
171.11690	6.6
173.06018	2.6
173.09641	5.9
175.11171	10.1
177.05544	3.6
179.07132	2.6
181.05000	5.2
181.10172	2.4
185.09698	2.2
185.13194	2.8
187.07576	3.8
187.11188	2.5
189.05466	10.0
189.09135	3.9
189.11186	3.6
189.12692	12.7
191.07042	8.7
191.10699	4.0
193.12260	34.1
199.11255	4.3
205.12326	5.0
207.13818	9.4
211.13318	18.6
215.07080	2.2
215.10725	4.2
217.12222	11.3
223.13380	4.6
231.13737	4.0
233.11713	18.5
235.13290	79.6
236.13702	2.2
247.13235	4.9
249.14853	11.2
251.12747	23.3
253.14317	9.7
259.13275	20.7
261.14951	2.3
267.15887	32.4
273.14862	29.0
277.14355	11.0
283.13242	3.9
285.17017	4.6
289.14178	6.2
291.15793	4.2
301.14410	29.0
309.16940	45.6
315.15845	3.6
319.15399	11.6
333.17007	4.6
337.16321	3.2
345.17108	3.3
351.17981	6.2
363.18045	2.4
375.18048	30.1
393.19156	20.4
401.80627	2.1
411.20035	18.4
429.16687	17.0
429.21890	48.3
430.20877	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	429.2121
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.13459	2.2
53.03931	8.0
53.70842	2.2
55.01876	13.3
55.05511	18.4
57.03442	28.3
61.02925	31.4
65.03934	2.9
67.05497	34.5
69.03077	2.8
69.03426	29.7
69.07056	10.1
69.47146	16.3
69.47558	5.5
70.06591	4.1
71.01339	5.1
71.04970	6.5
73.02917	18.0
79.05137	2.6
79.05490	32.6
81.03416	100.0
81.07053	37.5
83.04983	13.8
83.08620	20.3
85.02905	63.5
85.03422	2.6
89.06032	5.9
91.03947	16.4
91.05454	32.5
93.07043	26.0
95.04369	5.2
95.04967	85.6
95.08596	13.6
97.02887	40.6
97.06518	12.1
97.10149	9.1
98.20802	5.8
98.97541	4.2
99.04452	8.3
101.02364	3.3
103.03947	14.7
103.05446	6.0
105.01849	3.0
105.04494	2.8
105.07026	22.0
107.04958	18.4
107.07079	4.2
107.08613	20.5
109.02880	30.5
109.06499	11.1
109.10134	9.1
111.04424	8.3
111.08054	11.7
112.68568	2.7
113.58293	2.6
117.05529	2.7
117.07007	12.2
119.04963	7.1
119.08585	20.2
121.06536	16.2
121.10138	16.0
123.03577	3.0
123.04433	46.3
123.08052	4.8
125.09588	6.7
127.03938	21.5
129.05463	5.5
129.06996	14.7
131.04904	18.3
131.08553	16.8
133.06470	6.4
133.10123	11.1
135.04427	2.9
135.08022	6.2
135.11679	7.9
137.05954	12.0
141.07028	3.0
143.08490	5.2
145.04945	5.9
145.06454	6.4
145.10133	19.4
147.04436	12.7
147.08029	10.1
147.11667	12.5
149.05972	8.3
149.09644	7.7
153.09096	3.9
155.08514	2.9
157.10097	10.8
159.07921	2.7
159.11687	4.5
161.05995	8.0
161.09642	8.0
163.11191	24.2
163.13239	13.6
164.13612	11.4
165.12720	5.2
169.09984	2.8
171.11688	9.1
173.05901	2.8
173.09560	6.4
175.11171	8.8
177.05415	6.2
181.12210	4.7
183.06584	3.6
187.07495	2.6
189.05464	5.5
189.08977	4.0
189.11220	3.6
189.12759	7.1
191.10628	5.7
193.12221	33.5
199.11324	3.4
205.12195	7.2
207.13815	8.7
211.13252	33.0
217.12259	6.3
218.43344	3.0
223.13333	3.2
229.14342	3.2
231.13867	3.1
233.11737	13.8
235.13275	71.0
247.13245	5.4
249.14894	11.9
251.12755	8.5
253.14343	9.7
259.13354	19.0
267.15906	34.4
267.20505	4.2
273.14832	34.9
277.14230	7.6
283.13278	3.7
285.12094	3.0
285.16858	3.2
287.05472	12.6
289.14493	3.2
301.14322	32.1
309.16943	46.9
315.15866	6.1
319.15436	9.3
323.07895	4.3
333.17096	4.3
337.16299	3.7
341.09033	4.9
351.18024	6.2
357.16843	4.1
363.17847	3.1
375.18021	35.3
393.18991	21.9
411.20181	17.0
429.21347	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03938	6.5
55.01868	4.7
55.05507	15.2
57.03437	15.9
61.02945	2.6
63.20674	1.4
65.03931	2.1
67.05499	14.1
69.03431	30.4
69.07053	4.0
70.29472	3.9
71.04998	8.1
73.02917	3.3
79.05501	16.7
81.03419	81.5
81.07063	18.2
83.04980	19.6
83.08619	20.8
84.51144	1.4
85.02906	21.0
87.04467	2.2
91.03955	1.5
91.05473	20.2
93.07036	10.9
95.04971	26.2
95.08607	7.0
97.02890	48.7
97.06530	4.1
97.10157	6.7
99.04469	8.8
101.02329	1.7
103.03966	2.8
105.07024	11.4
107.04961	10.1
107.08572	7.8
109.02879	12.2
109.06535	3.7
109.10126	3.4
111.04443	7.8
111.08080	11.4
117.07014	2.2
119.08591	13.2
121.06514	3.4
121.10127	7.4
123.08035	3.6
123.11684	1.6
123.44691	1.5
125.09624	3.7
127.03909	12.9
129.05499	5.4
129.06972	8.2
131.04935	1.8
131.08563	8.4
133.06464	3.6
133.10161	8.0
135.11708	1.5
137.05975	6.8
142.07785	1.6
145.10124	3.4
147.08058	3.5
147.11693	13.3
147.45544	1.5
149.05902	1.4
149.09613	5.1
153.12730	1.7
157.10156	12.4
159.11736	2.2
163.11131	2.5
165.12688	4.4
175.11172	16.2
183.06529	3.2
189.12706	1.5
191.10710	2.4
193.12247	62.8
199.11322	1.8
201.07559	1.7
211.13301	92.7
212.13629	2.3
217.12169	1.6
227.12793	4.4
229.14380	5.1
235.13268	2.3
249.14885	10.2
267.16010	3.3
283.15466	2.0
285.17041	20.8
313.16403	2.1
319.15399	2.1
337.16336	2.1
355.17587	5.0
393.19159	3.2
411.20239	5.1
429.21228	100.0
430.21365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01877	5.0
55.05520	1.4
57.03438	3.6
61.02924	3.8
67.05497	1.9
68.99786	2.4
69.03082	1.2
69.03433	20.2
69.07076	0.9
70.06602	0.8
70.49074	2.1
71.04993	3.9
73.02923	5.8
79.05506	4.1
81.03421	22.1
81.07061	5.2
83.01324	0.7
83.04971	3.0
85.02910	40.7
86.09716	1.1
87.00838	16.5
87.04498	1.0
91.03968	0.9
91.05460	6.8
93.07053	8.5
94.58116	0.6
95.04974	17.2
95.08614	1.0
97.02894	13.9
97.06551	1.1
99.04472	9.0
103.03926	1.8
105.01875	12.9
105.07041	8.7
107.04971	1.3
107.08605	10.3
109.02888	20.6
109.06536	2.2
110.03259	0.7
111.04405	1.0
112.23679	0.5
115.03927	1.7
117.01863	2.6
117.07008	2.6
119.08588	5.1
121.06526	4.6
121.10144	10.8
121.10931	1.0
123.04411	1.7
123.08110	0.9
125.06011	1.1
127.03925	35.6
129.01846	2.2
130.07777	3.1
133.06480	0.8
133.10129	0.9
135.07977	1.0
135.11713	5.8
137.05980	2.6
137.09587	1.0
143.08554	1.1
145.04968	14.1
145.10132	14.8
145.11284	0.8
147.02867	1.9
147.08047	2.4
149.05984	1.2
151.07571	0.8
159.02888	14.7
161.09599	1.4
163.11194	100.0
164.11522	2.0
165.09137	1.8
165.12782	1.1
167.07086	3.9
175.11209	2.2
177.03972	1.0
181.12234	6.8
187.11156	0.7
189.03940	3.0
193.12268	1.7
205.12248	5.5
213.04004	1.8
221.11903	0.9
223.13306	8.5
231.05013	6.5
233.08113	0.7
249.06229	0.7
289.14316	1.3
393.15381	2.5
411.16470	2.0
429.20789	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	429.21
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
50.85451	0.2
55.05511	0.3
56.05059	0.2
56.96556	0.2
60.04525	0.2
67.05520	0.2
67.29386	0.1
69.03440	0.4
69.07064	0.2
69.92922	1.1
70.06584	0.8
71.04983	0.2
72.08134	0.2
73.02924	0.2
78.50990	0.2
79.05472	0.2
81.03432	0.6
81.07039	0.2
83.04967	0.4
84.08134	0.3
85.02920	1.1
86.09702	0.5
87.00806	0.2
91.05859	0.3
93.07036	0.3
95.04972	0.5
95.08576	0.2
97.02896	0.4
97.06541	0.2
97.20546	0.2
98.20802	0.2
98.97563	0.2
99.04466	0.3
105.01867	0.4
105.07057	0.3
107.08602	0.4
109.02879	0.5
109.06560	0.3
109.10138	0.2
116.07122	0.2
116.98609	0.3
119.04958	0.2
119.08620	0.3
120.08101	0.2
121.10121	0.3
123.04393	0.2
127.03916	0.8
133.10066	0.3
135.11684	0.2
137.06004	0.5
145.10176	0.2
150.05568	0.2
151.03938	1.1
151.11197	0.2
161.02975	0.4
161.13242	0.2
163.03830	0.2
163.11201	0.7
181.12256	0.4
191.10455	0.3
195.01137	1.6
198.34294	0.2
203.05293	2.1
209.15536	0.2
217.07077	0.2
236.07326	0.2
237.02316	0.2
249.11258	0.5
249.14645	0.8
250.11670	0.3
269.06311	0.2
309.15503	0.2
352.94678	0.2
359.02805	0.2
371.16687	1.2
382.92908	0.2
429.20966	100.0
430.21295	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	428.2047
Annotation	YM-215343
Peak:m/z	Relative Intensity
53.03942	0.5
55.05516	2.8
56.05027	0.7
57.03428	0.9
58.06616	1.0
59.07391	0.4
60.08165	15.3
67.05504	1.0
69.03433	1.0
69.07081	0.4
70.06595	1.1
70.91886	0.8
71.04977	0.4
71.07378	4.9
79.05499	1.3
81.03397	0.4
81.07064	0.6
82.80832	0.3
83.08628	2.0
83.09074	0.3
85.02926	1.7
86.09708	43.2
87.10031	0.7
88.90015	0.3
91.05469	0.4
97.02910	0.7
97.10177	4.4
98.11935	0.3
98.98471	2.9
99.04485	0.3
99.76369	0.3
103.03940	0.6
104.10747	93.8
105.07025	0.5
105.11071	0.7
106.74851	0.4
107.08602	1.1
109.02866	0.4
109.10174	0.4
125.00010	24.8
125.09633	3.5
127.03901	1.3
129.97289	0.4
143.01050	0.5
145.04913	0.7
163.01553	0.6
163.11275	0.7
163.13319	0.4
184.07344	100.0
185.07697	0.8
189.11212	1.6
207.95175	0.3
227.12717	0.4
240.09868	0.4
245.13789	1.9
258.11130	0.9
351.11533	0.3
377.01443	0.4
410.19412	6.4
428.20410	44.6
429.20795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.05265	2.1
55.05512	29.8
57.03439	10.2
57.07078	30.2
67.05501	11.1
69.07070	36.0
69.36789	6.3
69.37212	4.8
71.04956	1.3
71.08633	20.4
79.05495	5.7
81.07057	15.4
83.04985	2.0
83.08138	1.8
83.08620	24.0
85.10197	11.0
93.07040	7.6
95.08618	15.3
96.95096	1.0
97.06533	5.0
97.10174	15.8
98.21494	2.6
99.08086	1.5
107.08588	5.1
109.10143	7.3
111.08073	2.5
111.11700	5.7
121.10169	8.6
123.11755	3.1
125.09612	3.3
125.13278	2.2
135.11716	7.6
137.13277	1.6
139.11153	2.9
143.10599	1.5
149.13225	5.9
153.12813	2.1
163.14824	2.6
167.14296	2.5
177.16443	1.5
177.94106	1.2
181.15807	1.5
192.03807	1.4
195.17506	1.6
208.85229	1.4
209.19092	1.8
223.20627	1.5
317.32001	3.6
335.33118	9.9
380.88394	1.2
409.36884	12.4
427.37848	100.0
428.38248	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	428.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75081	0.4
54.79369	0.4
55.01861	0.5
55.05508	2.8
56.05027	1.0
57.03433	0.8
58.06610	1.1
60.08165	15.1
67.05499	1.5
69.03423	1.1
69.07068	0.7
70.06585	1.6
71.06978	0.5
71.07374	5.1
73.18600	0.4
79.05482	1.1
81.03410	0.6
81.07056	0.5
83.04996	0.6
83.08617	1.6
85.02895	1.4
86.09707	46.6
87.10016	0.8
93.07028	0.9
95.04991	0.4
97.02876	0.9
97.06528	0.6
97.10179	4.1
98.20639	0.7
98.98470	2.8
99.04420	0.5
104.10745	98.5
105.11065	0.8
107.08592	1.6
109.02839	0.5
109.06436	0.4
123.04457	0.4
125.00003	27.0
125.09603	3.5
127.03902	1.1
137.31607	0.4
143.01006	0.4
153.05453	1.0
162.34596	0.4
163.11165	0.7
181.02783	0.5
184.07343	100.0
184.44247	0.4
185.07751	1.3
189.11203	2.2
201.61349	0.4
227.12894	0.5
229.18704	0.5
245.13957	1.9
249.11360	0.8
258.11111	0.9
410.19333	6.8
416.08502	0.4
428.20432	43.6
429.20963	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85906	0.4
54.35016	0.4
55.01867	0.6
55.05510	0.4
56.96558	1.1
57.03437	0.5
65.46966	0.4
67.05494	0.6
69.03426	1.2
69.07075	0.4
69.74102	2.6
70.06596	0.9
70.77564	0.3
71.04996	2.1
73.02905	0.9
73.56349	0.3
74.41373	0.3
77.68600	0.4
79.05515	0.5
81.03409	0.8
83.04993	0.8
84.04523	0.5
84.08127	0.5
84.96044	0.4
85.02902	4.6
85.06552	2.0
85.87828	0.4
86.06880	0.6
86.09734	0.5
93.07048	0.6
95.08614	0.5
97.02906	2.0
97.06559	0.6
98.21502	0.5
98.97583	0.9
99.04446	0.7
103.03957	0.9
105.07063	0.7
107.04974	0.5
107.08616	0.6
109.02750	1.8
111.04478	0.5
116.98632	1.0
119.08589	0.8
121.10193	1.0
123.04428	0.4
127.03909	2.3
129.05508	0.7
133.10150	0.8
136.07600	0.6
137.05984	1.0
139.03880	0.4
145.02882	0.4
145.04985	1.2
146.99582	0.5
150.07724	0.9
151.03941	0.8
159.11696	1.4
161.01259	0.5
161.09641	0.8
177.00777	0.7
177.05402	0.6
177.12776	0.4
179.03439	2.2
179.10715	1.3
180.06586	1.6
201.03723	0.4
203.05273	9.6
203.07086	0.6
203.12839	0.6
217.12080	0.8
237.02917	0.6
247.13023	0.5
247.17072	0.6
261.03195	0.5
266.09192	0.4
300.13760	0.4
303.05014	4.9
304.05356	0.8
325.05817	2.1
325.55997	1.1
334.06299	4.9
334.56467	1.4
335.06155	0.4
337.38940	0.4
340.99911	0.5
345.57016	1.7
346.07245	1.0
377.01791	4.5
378.02274	0.9
379.17020	0.7
393.47266	0.4
395.03098	1.8
397.18335	10.5
400.04578	0.4
409.18457	0.8
413.96689	0.4
427.19440	100.0
428.19766	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	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.5
57.03433	3.7
59.05009	2.7
59.07399	0.4
61.02925	2.9
67.05504	34.9
68.05836	0.8
69.03424	2.0
69.07051	1.2
69.44193	3.6
70.06596	0.7
71.04974	1.4
73.02893	0.7
81.03401	1.3
81.07059	4.7
83.08620	3.5
85.02907	5.2
85.06526	1.6
90.26465	0.5
91.03949	1.5
91.05494	3.1
93.07030	1.2
95.04946	0.6
95.08617	2.8
97.02882	2.6
97.06516	1.0
97.41344	0.5
98.97624	0.6
99.04453	1.3
103.03941	2.1
105.07071	0.9
107.08591	1.4
109.02853	1.6
109.10155	46.8
110.10514	0.8
111.08064	1.3
116.98689	0.5
119.08577	3.6
127.03904	3.5
135.41235	0.4
137.05960	1.3
137.09631	2.0
145.04942	1.9
145.74997	0.5
147.04407	0.6
155.10664	4.5
163.06032	1.4
172.26678	0.4
173.11742	25.6
175.86623	0.4
177.05476	1.3
178.05937	0.8
189.09129	0.5
229.14349	100.0
230.14658	2.3
233.11725	0.6
247.15416	1.0
281.25351	0.5
288.05984	0.5
303.05035	1.2
377.01605	0.5
391.19693	1.0
395.02771	0.7
426.17648	2.1
427.18207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2615
Annotation	Lythranidine
Peak:m/z	Relative Intensity
53.30539	0.6
55.05513	2.4
57.03448	3.8
57.07079	18.7
60.29617	0.7
61.92224	0.7
62.05789	1.5
62.06091	21.6
67.05510	3.8
69.07066	4.7
69.96230	3.1
71.08281	1.2
71.08634	14.9
73.67419	0.7
75.71168	0.7
79.05503	0.9
81.07046	5.2
83.08622	2.3
85.10202	5.9
86.09741	1.0
89.06017	1.2
93.07011	1.0
95.08605	9.3
97.10187	1.7
98.98460	3.7
109.10154	3.7
111.11692	0.7
116.10727	1.5
123.11737	1.2
124.01611	1.6
124.99957	0.8
137.13243	0.9
149.08408	0.8
155.01027	4.4
184.07353	1.1
201.03767	0.8
211.20621	2.9
214.18011	10.6
216.06377	2.9
254.24817	9.4
268.68585	0.8
280.14172	0.8
285.24249	100.0
286.24579	3.9
365.20831	7.7
394.14218	0.8
408.25217	5.3
408.30179	1.4
426.26102	3.3
426.31793	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
54.03422	0.6
55.01871	1.8
55.05516	1.0
55.61267	0.8
56.96563	1.7
57.03420	1.1
61.02927	1.3
64.51885	0.7
67.05494	1.1
68.99778	1.3
69.03427	7.3
69.07069	5.8
69.54361	0.6
70.06595	1.3
70.85985	2.3
71.04984	0.8
73.02905	1.1
79.05488	1.9
81.03426	6.9
81.07081	1.1
85.02908	13.7
87.00844	4.4
91.05479	6.9
93.07060	3.9
95.04961	1.5
95.08576	0.9
97.02905	5.6
97.06516	1.0
98.97575	2.4
99.04465	3.7
103.03940	1.3
105.01849	2.1
105.07038	15.2
107.04944	1.4
107.08581	2.5
108.39880	0.8
108.70939	0.9
109.02879	5.4
109.06519	0.8
111.04449	0.9
116.98602	1.2
117.07029	2.3
119.08588	22.0
120.08121	0.9
121.06488	2.0
121.10123	1.6
123.04441	1.7
123.08073	0.8
127.03933	7.6
128.06247	1.6
129.06979	1.5
131.08565	2.9
133.06554	1.1
133.10132	28.1
135.04395	0.7
135.08069	1.3
135.11707	1.1
137.06024	1.8
137.09605	2.0
139.03917	3.1
142.07777	1.0
143.08556	2.8
145.04997	3.4
145.06454	2.0
145.10124	2.6
146.07222	1.2
147.08031	1.1
147.11656	0.9
149.09628	1.3
151.11139	1.0
154.51711	0.8
157.10139	1.2
159.02890	2.3
159.08069	2.1
161.09628	41.6
163.07454	1.0
163.11240	1.1
173.09668	1.2
175.07599	1.7
175.11137	1.7
177.05412	1.4
177.09152	1.7
179.03403	3.0
179.10680	100.0
180.06541	2.1
180.11023	1.3
185.09641	0.7
187.07578	1.0
189.09105	1.4
189.12767	1.4
201.09021	0.9
203.10693	4.7
203.12701	1.7
203.35393	0.8
207.13818	0.8
215.10703	0.7
217.12189	1.4
219.10201	1.6
221.11694	4.5
223.06450	3.7
231.10187	1.3
237.02794	1.0
237.11356	0.9
241.07631	1.4
245.11795	1.3
247.06348	0.9
265.07538	1.7
283.08682	1.8
287.05643	0.9
323.14859	1.1
325.13373	0.7
327.72894	0.8
341.15979	1.3
365.15820	1.8
367.10651	3.2
383.16928	4.1
409.14990	2.4
427.16086	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	426.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01851	2.0
55.05513	3.2
56.96571	2.4
57.03437	2.4
59.04996	1.9
61.02917	4.6
67.05492	3.9
68.61211	2.0
69.03429	14.7
70.31664	1.8
71.04974	4.5
71.58226	3.0
73.02921	6.1
78.12563	2.0
81.03425	13.9
83.04960	3.3
84.08147	3.7
85.02432	4.0
85.02908	64.9
85.06542	13.7
89.03886	2.4
91.05476	4.2
93.07053	2.8
95.04961	3.8
97.02892	35.2
98.97593	4.5
99.04463	37.0
103.03944	81.0
107.04960	3.9
109.02880	19.4
109.06517	2.1
111.04404	2.6
115.03914	3.1
116.98603	5.3
117.03307	2.0
119.08617	2.9
122.06020	4.9
123.04430	2.4
125.09628	3.1
127.03919	100.0
135.04454	6.0
136.07568	4.8
138.09120	3.0
140.07158	2.0
143.10652	4.7
145.02991	3.4
145.04958	62.3
145.07533	2.0
147.04417	4.2
149.00914	2.7
150.05530	3.5
150.07697	5.5
152.07101	3.9
159.11691	2.6
163.03961	22.3
163.06007	71.8
164.07146	2.6
165.07495	2.2
173.98854	2.6
175.07603	3.2
179.03387	5.7
179.10719	2.7
187.06116	2.5
203.05322	5.3
205.07129	3.5
206.11778	3.4
219.01768	4.3
231.31117	2.7
237.02859	2.4
271.08185	11.6
289.09171	7.4
305.14908	3.9
307.10309	16.2
397.18356	10.4
426.18192	38.6
427.14316	4.4
427.19504	59.2
444.07861	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	425.1783
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
53.03948	0.5
54.95549	0.4
55.05502	0.9
56.96561	0.7
61.02913	0.5
62.04504	0.5
62.60829	0.5
67.05497	0.7
69.03419	2.0
69.07061	1.0
69.41290	0.4
69.71700	3.1
70.06572	1.6
77.42053	0.4
78.84564	0.5
81.03410	1.2
81.07054	0.8
83.04963	0.4
85.02901	3.3
85.06532	0.8
86.09691	0.5
91.05479	1.3
93.07063	0.7
94.89537	0.5
95.04970	0.5
95.08607	1.1
97.02907	1.2
97.06530	0.7
98.97572	1.5
99.04446	1.2
103.03952	1.4
105.07015	1.5
107.04961	0.6
107.08623	1.3
108.07262	0.5
108.98254	0.5
109.02866	1.3
116.98637	0.9
119.01907	1.6
119.08583	2.5
121.10181	0.5
123.04410	0.7
124.07590	0.7
125.09619	1.2
127.03925	2.8
131.08583	0.5
133.10156	1.1
134.99701	0.7
136.07550	0.5
137.05957	1.0
139.03961	0.5
145.02806	0.6
145.04962	1.7
147.04382	1.0
149.05986	0.5
154.13135	0.5
159.11662	1.3
161.02953	1.0
161.13258	2.2
163.06042	0.8
177.05496	1.4
203.05241	9.6
213.12404	0.6
219.51183	0.5
227.16399	0.6
237.02859	0.6
245.11502	13.8
261.13333	0.7
263.12473	1.1
286.14093	0.7
323.13541	2.8
365.14365	0.6
379.17239	2.5
407.16913	0.6
425.17813	100.0
426.18167	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	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
56.96563	0.9
69.03426	1.9
69.07069	0.8
70.06583	1.8
71.05006	0.7
71.59016	0.6
81.03427	0.9
81.07048	1.2
83.04986	1.0
84.04456	0.5
85.02913	3.0
86.09706	0.8
91.05486	0.9
93.07047	0.5
95.04972	0.5
95.08608	0.8
97.02894	1.6
98.97600	0.9
99.04459	1.0
103.03938	1.2
105.07038	1.9
107.04954	0.6
107.08597	0.9
107.45229	0.4
109.02885	1.0
109.10156	0.7
116.98602	1.1
119.01949	2.4
119.04987	0.6
119.08597	2.8
120.23242	0.5
120.80323	0.4
121.06496	0.7
124.07592	0.5
125.09663	0.4
127.03942	3.3
131.08551	0.6
133.10126	1.6
134.99664	0.7
136.07639	0.6
137.02977	0.6
137.06088	0.4
143.01897	0.7
145.04979	0.6
145.07512	0.4
145.10078	0.5
147.04417	1.3
149.05998	0.5
158.99698	0.6
159.11728	1.6
161.02997	2.1
161.09615	0.7
161.13301	3.1
163.06052	0.5
177.00740	1.1
177.05495	1.4
191.48718	0.4
194.37433	0.4
195.83014	0.5
203.03374	0.7
203.05280	13.7
203.07108	0.9
213.12321	0.5
214.94305	0.5
224.28172	0.5
237.02861	1.0
243.12357	0.6
245.11496	21.1
257.12930	0.7
261.13345	0.5
263.12598	1.6
286.14096	1.7
305.12201	0.7
323.13370	3.8
341.14365	0.9
346.14676	0.5
357.08472	0.8
365.14093	0.9
379.17377	0.9
425.17838	100.0
426.18237	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	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23657	0.8
61.81557	0.7
69.03432	0.9
70.06595	1.7
71.58122	1.4
77.00906	1.3
81.03420	1.0
82.99860	1.6
85.02895	2.2
87.77383	0.8
99.84606	0.7
101.00890	6.8
103.26245	0.8
104.54163	0.8
109.02898	1.3
113.00899	1.1
113.65289	0.8
119.01925	22.3
127.02463	1.1
131.01930	7.7
137.02959	3.9
139.02477	1.3
142.03595	0.9
143.01897	20.1
145.03458	9.0
147.01408	1.7
149.03027	1.5
154.03499	0.8
155.01920	8.4
157.03435	5.1
161.02963	50.2
162.02995	1.1
163.04521	1.8
167.00685	0.8
167.01852	4.7
169.03496	1.8
171.05038	1.1
173.02962	18.3
174.03088	1.1
175.04485	3.6
177.24107	0.8
179.01921	1.8
184.04576	1.6
185.02963	30.7
187.04584	4.9
191.03958	4.4
197.02972	14.7
198.03067	1.4
203.04013	15.4
208.04599	0.9
209.02966	1.3
213.12343	1.4
215.04008	7.7
221.05075	2.6
222.68687	0.8
227.03995	7.7
245.05084	100.0
246.05334	2.9
257.05096	4.9
263.06122	26.9
275.06128	13.9
286.07730	1.5
293.07141	4.7
305.07181	9.4
335.08191	3.5
365.09247	9.0
425.07159	5.9
425.11386	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	425.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01873	0.5
55.05509	1.1
56.42190	0.4
57.03437	0.9
61.02918	0.7
61.77168	0.4
67.01862	1.4
67.05507	1.4
68.99782	0.7
69.03429	5.2
69.07057	0.6
70.50541	1.3
70.50907	0.6
71.04995	1.6
76.96252	0.4
78.04718	0.5
79.05489	2.1
81.03420	8.2
81.07054	1.2
83.04980	0.7
85.02895	3.5
86.09718	0.9
87.00840	0.5
89.03917	7.4
90.11732	0.4
91.05495	2.5
93.07047	1.5
95.04967	1.2
95.08582	1.1
97.02897	4.5
97.06563	0.8
99.04472	2.2
101.02374	0.5
103.05439	0.5
105.07030	1.4
107.04935	0.9
107.08595	0.6
109.02113	0.6
109.02872	9.4
109.06561	0.5
109.10135	0.7
117.03374	24.4
117.07024	0.5
119.04985	0.7
119.08560	0.8
121.06462	0.5
121.10139	0.8
122.02737	0.5
122.06021	0.9
123.04444	0.4
123.08050	0.5
125.00003	0.7
125.09594	0.8
127.03914	7.0
129.01822	0.7
131.08583	0.8
132.55663	0.4
133.10149	0.8
134.03629	1.2
135.04420	3.3
135.08087	0.5
135.11658	0.4
137.05954	0.9
143.08568	0.6
145.02841	51.3
146.03172	0.6
147.02956	0.4
147.04358	0.4
147.11600	0.5
149.05977	7.6
158.05981	0.6
159.11722	0.4
163.03894	7.0
171.11710	0.4
176.10712	0.6
177.05464	100.0
178.05782	1.5
184.07323	1.9
185.07765	0.4
186.05486	2.7
195.06517	3.0
205.10994	0.9
206.11766	1.4
233.07440	0.4
251.14476	0.5
283.37402	0.4
287.16391	0.5
321.09637	2.5
363.17059	1.9
407.09653	1.1
407.19992	0.5
425.10727	9.2
425.21149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03946	1.5
55.05477	0.3
57.03424	0.6
61.02895	0.7
63.02365	0.4
67.01855	1.3
68.99772	0.6
69.03432	4.5
69.07041	0.3
69.54656	0.2
71.04999	1.4
71.59418	0.4
78.04707	0.5
79.05476	0.5
81.03419	6.6
81.07023	0.3
83.04977	0.3
84.62563	0.2
85.02905	6.3
86.03231	0.4
87.00829	1.1
89.03916	6.7
89.29403	0.2
91.05457	0.9
93.07026	0.4
95.04951	0.6
95.08572	0.3
97.02901	4.7
97.06535	0.6
99.04465	2.6
100.04766	0.5
103.03938	2.0
103.05480	0.4
104.04255	0.7
105.01868	0.3
105.07016	0.3
106.04152	0.4
107.08595	0.3
109.02882	9.3
109.10129	0.3
110.03139	0.4
111.04416	0.2
117.03381	21.3
119.04942	0.4
119.08543	0.3
120.08064	0.3
123.00810	0.2
124.05180	0.3
127.03919	9.5
128.04254	1.1
129.01820	0.6
134.03624	1.3
135.04408	1.9
135.11684	0.3
137.05981	0.6
145.02847	50.5
145.04921	1.8
146.03207	0.9
146.05301	0.8
147.02879	0.6
147.04385	0.6
149.05983	7.1
149.09547	0.2
155.86418	0.3
159.08005	0.3
159.11575	0.3
162.03119	0.5
163.03941	1.6
163.06049	1.4
164.06364	0.6
177.05472	100.0
178.05797	1.8
186.05493	2.1
195.06555	2.6
206.11688	0.3
213.04088	0.4
278.17728	0.4
280.95911	0.2
285.07480	0.2
289.09134	0.3
289.46222	0.2
299.05518	0.4
321.09717	3.3
339.10901	0.4
365.08734	0.6
407.09616	1.5
425.10849	8.3
425.16653	0.4
425.21912	0.3
426.11267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
63.75340	0.3
67.05469	0.5
69.07083	0.3
71.04968	0.3
71.58928	0.4
79.05499	0.3
81.03374	0.4
81.07048	0.4
81.19244	0.3
84.94521	0.3
91.05425	0.3
95.08566	0.4
96.44283	0.3
97.06525	0.4
97.88109	0.3
105.22218	0.2
107.04902	0.4
107.08505	0.3
109.02888	0.5
109.10165	0.5
118.98936	0.3
121.02830	0.3
121.10051	0.3
137.02351	3.6
145.02881	0.6
145.09996	0.3
163.03870	0.3
177.05475	1.1
179.40945	0.3
202.07831	1.6
203.08490	1.1
219.07953	0.3
220.08839	0.4
229.06593	0.6
230.07195	0.5
231.08051	5.4
242.07245	1.2
247.07584	0.6
252.09360	0.9
253.10196	0.6
255.07774	0.4
257.06097	0.4
258.06778	3.1
259.07556	22.1
260.08139	1.6
261.08905	0.3
263.08762	0.4
265.10190	0.5
266.10861	0.3
267.11694	0.7
268.08899	0.7
271.07483	0.8
276.09351	3.7
277.10104	4.3
278.10919	0.6
279.08038	1.0
279.11533	0.3
280.09027	0.8
281.09543	0.8
286.06247	0.6
287.08575	0.3
289.10065	0.9
292.08817	0.8
293.09525	0.8
294.10428	1.3
295.07877	0.4
295.11163	8.6
304.08902	0.7
305.09631	12.3
306.10199	1.3
307.11182	0.7
308.08423	1.8
309.09088	0.6
315.08112	0.6
316.08694	1.0
321.09140	1.4
322.09860	1.1
323.10690	10.6
324.07904	0.6
332.08304	2.6
333.09091	13.1
334.09818	2.6
337.08615	0.4
341.11786	0.5
343.07675	0.4
344.08438	0.4
345.09055	1.0
349.08640	1.1
350.09363	1.6
351.10175	15.2
352.10568	0.8
360.07736	0.5
361.08600	11.7
362.09140	1.2
363.10159	0.7
369.11121	1.7
373.08731	0.5
377.08057	2.8
378.08807	1.1
379.09668	61.5
380.09940	3.7
389.08188	2.9
390.08835	2.4
395.09103	0.4
397.10748	6.3
405.07697	0.9
406.08371	1.1
407.09149	31.4
408.09537	2.2
425.10211	100.0
426.10547	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08062	2.4
55.01862	2.8
55.05514	19.1
56.96565	5.4
57.03428	5.3
66.92985	3.0
67.05499	6.0
69.03427	11.5
69.07059	12.0
70.06580	8.1
71.04996	6.7
71.49549	3.0
71.49901	2.6
79.05484	9.1
81.03445	6.5
81.07039	14.5
83.04961	12.6
83.08620	15.5
84.04487	3.6
84.08135	2.7
84.96041	2.7
85.02902	21.3
85.06535	6.4
86.09705	3.7
91.05473	11.7
93.07048	15.6
95.04978	12.8
95.08605	19.6
97.02894	9.6
97.06534	9.8
98.97580	12.1
99.04491	6.8
105.07037	11.1
107.04961	3.4
107.08595	32.4
109.02850	4.1
109.06516	10.9
109.10162	8.3
111.08051	4.5
115.07562	6.8
116.98586	7.6
119.01972	2.9
119.08603	11.3
121.06481	5.9
121.10143	53.2
122.10486	2.9
123.08057	10.6
123.11735	5.6
124.07573	2.9
125.09630	9.6
127.03919	9.6
131.08560	6.4
133.10129	11.5
134.99673	5.4
135.08047	4.2
135.11713	5.1
136.07587	4.6
137.05939	8.1
139.52141	2.9
141.09087	6.3
145.02841	3.5
145.05013	4.8
145.10216	2.8
147.04390	4.8
147.11697	3.6
150.05544	4.1
151.03893	3.1
151.11200	16.1
153.09120	5.6
158.99644	5.3
159.10216	8.0
159.11710	5.1
161.13287	8.1
163.14803	11.6
164.07054	11.0
167.14339	14.8
173.13255	13.8
177.00751	5.0
177.05405	6.7
177.12747	3.2
191.14276	13.2
203.05304	15.4
209.15364	100.0
219.12059	3.0
223.09312	4.0
227.16373	16.6
245.11528	17.1
262.14435	15.0
283.51761	3.2
295.57565	2.9
297.09937	3.2
323.13223	4.3
325.14700	3.5
334.15192	9.2
339.11142	4.9
388.13455	3.0
424.14359	10.2
424.19473	4.3
425.17853	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24212	1.0
53.03947	5.2
53.96302	1.2
55.05501	2.5
57.03432	2.9
61.02915	2.7
69.03139	1.3
69.03429	14.0
70.37540	2.6
70.37941	2.3
71.05001	5.7
73.02893	4.5
79.05485	1.5
81.03410	18.5
81.07061	1.8
83.05025	1.5
85.02905	67.9
89.03888	6.0
90.29866	1.0
91.05476	2.6
93.07063	1.4
95.04952	1.8
95.08522	1.3
97.02891	26.2
97.06515	2.4
99.04449	39.4
103.03938	89.7
104.10695	1.3
105.03364	2.6
107.06419	1.0
107.08564	2.0
109.02871	24.8
109.06512	1.2
117.03379	15.7
125.02331	2.7
127.03911	100.0
128.04160	1.1
135.04387	1.1
137.06012	2.0
141.01764	1.4
145.02855	40.2
145.04948	50.3
145.16603	1.2
147.04410	1.2
149.06000	6.4
163.03943	1.9
163.06013	57.0
177.05470	73.5
177.81915	1.1
184.07416	1.7
186.05412	1.9
187.06004	5.4
188.93823	1.1
191.10477	1.3
195.06531	2.3
205.05222	1.6
205.07069	4.5
245.13713	1.4
250.90065	1.2
253.07140	2.0
269.13892	3.4
271.08176	7.3
271.27042	1.2
289.09213	4.1
307.10300	10.5
321.09717	2.3
348.52103	1.2
359.60294	1.2
407.09787	1.2
424.16302	1.8
424.24850	1.5
425.10764	6.5
445.71265	1.1
449.51187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
53.57325	1.7
55.01878	3.2
55.05500	3.7
57.03435	5.6
61.02917	5.8
61.97071	1.4
67.05507	2.9
69.03430	17.0
69.07056	3.3
69.42931	13.9
70.06586	3.1
71.04993	6.9
73.02901	1.7
79.05482	4.2
81.03420	16.0
81.07064	4.0
82.92911	1.4
83.04986	4.7
84.04518	1.7
84.08148	1.7
85.02903	70.8
86.09716	2.1
87.57881	1.4
89.03928	2.9
91.03970	1.9
91.05466	5.0
93.07036	3.5
95.04971	2.2
95.08620	2.3
97.02898	17.8
97.06518	7.2
99.04449	34.4
103.03938	87.5
103.14408	1.4
104.10728	1.7
105.07007	4.1
107.04985	3.3
107.08605	3.9
109.02873	19.4
111.04446	1.6
117.03364	12.0
119.08640	2.2
120.08058	2.8
121.06507	2.5
121.10146	2.2
123.04405	1.8
123.11710	2.4
126.47988	1.4
127.03915	100.0
131.08553	2.4
133.10132	2.2
134.99615	2.3
135.11745	3.5
137.05992	6.7
141.12721	4.6
145.02884	22.8
145.04955	52.8
145.10133	2.1
147.04364	1.4
147.08086	1.4
149.05978	5.2
151.03851	2.4
163.03943	2.5
163.06026	63.8
163.11261	1.7
165.27995	1.6
177.05461	36.3
177.07751	2.0
184.07329	1.7
187.06024	5.8
199.15001	1.8
205.07083	5.1
227.12823	2.7
252.97845	1.7
270.07571	3.4
271.08127	6.4
283.15503	2.0
287.05453	7.1
289.09152	6.1
307.10309	11.7
317.06589	2.9
345.15277	1.6
363.11758	2.6
378.59805	1.7
389.18082	2.4
407.15610	2.1
425.10635	2.8
425.15988	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
60.71962	0.7
68.99787	1.0
70.72017	1.5
70.72388	1.7
72.52451	0.7
78.88015	0.7
79.05502	0.7
82.41320	0.7
85.06502	0.9
91.05460	1.8
93.07018	1.0
96.04467	2.6
97.02853	1.0
103.05450	1.5
105.07014	0.7
107.04958	32.4
108.04449	1.8
115.05435	1.0
117.06995	2.1
121.06473	2.9
129.06927	1.7
131.04932	1.2
141.06960	1.1
144.08035	1.5
145.06471	2.5
146.06017	2.3
147.04401	2.3
149.05995	7.2
157.06529	1.2
158.06006	2.5
159.04384	2.0
159.08084	0.8
160.07584	1.3
162.05507	5.5
163.03917	1.0
171.04343	0.9
172.07556	3.8
173.05974	2.9
174.05412	1.7
174.09105	1.1
175.03882	7.2
185.05989	3.1
186.05481	1.3
186.09166	1.4
188.07091	1.4
189.05429	4.1
191.05376	0.7
191.06989	1.2
193.04961	1.8
196.07552	2.1
197.05981	1.9
199.03865	1.3
199.07639	1.0
200.07056	6.7
201.05473	25.7
202.08675	2.1
203.07062	1.3
213.05490	12.1
214.06380	1.0
214.08588	2.8
215.07042	1.6
216.06569	4.7
224.07100	2.6
225.05487	2.4
226.08612	1.7
227.07051	3.5
228.06598	10.9
229.04961	1.3
229.07314	3.0
230.08084	2.6
231.06497	1.8
240.06569	1.4
241.04950	4.4
242.05653	3.2
242.08064	16.8
243.06538	1.2
243.08830	1.3
244.09746	5.8
245.04448	1.3
252.06567	3.1
254.08157	3.9
255.06609	1.1
258.07654	5.2
259.06036	1.6
270.07614	100.0
271.08298	4.4
272.09174	16.9
282.07816	3.6
288.08716	3.1
300.08621	2.6
337.10690	2.3
349.10852	1.8
364.11838	3.5
378.13422	7.4
406.12860	66.7
407.13068	2.6
424.13904	88.0
425.14075	3.8
447.15231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.9
55.01869	1.5
68.99786	1.2
69.03434	1.2
69.46786	1.9
69.47195	6.0
70.06595	1.5
80.05003	1.1
81.03384	1.0
81.07056	1.7
83.04997	2.0
85.02911	2.2
91.05495	2.6
96.04495	3.1
98.06034	0.9
98.20779	2.0
103.05484	1.4
105.03381	0.9
105.07039	1.7
107.04961	33.4
108.04523	2.2
108.05263	0.9
109.02847	1.2
117.07040	2.2
121.06500	1.9
127.03844	1.7
129.07037	1.4
131.04965	1.2
135.04335	1.0
141.06943	1.4
141.09064	1.3
144.08095	1.8
145.06497	2.9
146.06021	2.4
147.04433	2.0
149.06006	7.1
151.03963	1.6
158.06036	3.0
159.04388	1.4
159.10170	1.8
160.07616	1.8
162.05537	1.4
172.07596	2.1
173.05978	3.9
174.05525	3.1
174.09242	1.8
175.03952	7.2
176.07059	1.0
177.05414	1.4
180.06599	3.0
184.07666	1.4
185.06036	3.1
186.05545	2.1
186.09094	2.3
187.03902	0.9
188.07104	1.1
189.05424	4.4
193.04921	1.3
196.07635	1.3
197.06015	1.4
199.03938	1.5
200.07053	6.9
201.05495	27.5
201.07362	1.4
202.06258	1.0
202.08667	2.9
210.25270	1.0
213.05530	13.5
214.08636	2.6
215.07129	2.3
216.06557	4.4
217.05042	1.2
225.05469	2.6
226.08479	2.1
227.07053	3.2
228.06564	12.8
229.07272	1.5
230.08170	2.5
231.06622	1.3
235.59087	1.0
240.06572	1.7
241.04900	4.3
242.05743	2.8
242.08113	18.3
243.06647	1.4
243.08934	1.2
244.09752	9.1
245.04678	0.9
252.06583	3.0
253.04968	1.3
254.08237	3.7
254.91644	1.2
255.06673	2.2
257.07129	0.9
258.07712	4.4
259.05975	2.1
270.07632	100.0
271.08273	6.9
272.09192	17.8
282.07693	3.3
288.08759	3.1
300.08810	2.0
337.10529	1.8
349.10773	2.1
364.11847	4.5
378.13297	7.3
388.11783	1.5
389.77496	1.1
406.12872	74.5
407.13208	5.4
424.13947	90.6
425.13974	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	423.2739
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.13483	3.7
52.30408	3.4
53.03946	13.8
54.56807	4.1
55.01870	5.0
55.05519	24.8
57.03435	7.6
59.53734	5.2
64.87652	3.9
65.03934	4.6
67.05508	84.6
69.03439	38.5
69.07076	24.5
70.16794	18.3
71.04986	9.4
73.02898	3.6
78.14540	3.5
79.05497	69.5
81.03422	38.2
81.07063	100.0
83.04977	13.1
83.08626	12.0
85.02910	26.5
85.06535	6.0
88.58700	5.1
91.05481	43.4
93.07037	72.1
95.04996	21.0
95.08603	73.0
97.02888	18.5
97.06570	10.4
97.10179	7.2
97.88493	3.9
99.04463	11.5
105.07053	41.1
107.08595	45.0
109.02880	9.6
109.06532	18.2
109.10154	42.7
111.04438	9.2
111.08092	7.0
112.66226	4.1
117.07010	30.8
119.08579	38.4
121.06491	4.8
121.10149	47.1
123.08076	13.4
123.11703	13.5
125.09609	5.3
127.03955	7.0
128.06195	4.8
129.05522	6.2
129.06996	16.6
131.08582	30.6
132.47954	4.0
133.06509	8.6
133.10127	36.4
135.08049	9.6
135.11717	23.5
137.13326	7.0
141.06990	5.2
143.08578	16.5
145.06473	5.2
145.10123	30.2
147.08101	5.4
147.11697	19.7
149.09642	5.9
149.13261	19.8
151.07500	6.3
155.08569	6.0
157.10126	15.4
159.11653	18.9
161.13280	15.5
166.57368	4.3
169.10117	5.8
171.11765	10.6
173.13281	10.3
175.14850	5.5
179.14384	11.3
183.11792	7.7
184.07344	8.2
185.13271	8.1
187.14822	7.9
188.80925	4.9
191.14261	7.4
199.14873	8.1
213.16306	4.4
243.21001	4.9
259.16330	3.9
259.20593	9.6
261.22055	24.7
277.21600	12.5
291.23212	9.0
301.21811	4.9
303.23267	11.7
315.22971	5.6
319.22879	4.3
331.26230	4.2
341.24759	5.0
345.24438	6.1
350.77975	4.8
351.23456	10.5
369.24155	22.5
387.25192	25.2
405.26312	41.9
423.26752	30.2
423.32050	8.0
432.75293	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	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
55.01856	3.1
55.05508	1.3
57.03431	0.8
58.99568	1.1
60.04516	1.4
61.01147	6.1
61.99429	0.7
65.03944	1.0
67.05480	2.4
67.44247	0.9
69.03416	1.9
69.07054	1.6
69.20480	0.9
69.60985	6.2
70.06576	1.4
70.49434	0.8
72.04515	10.6
73.02888	1.7
74.54778	0.7
77.01892	0.8
78.03787	14.1
81.03402	2.3
81.07050	1.0
83.04972	2.9
84.04466	0.8
85.02895	9.4
85.06546	1.5
86.06037	1.9
86.09691	1.3
88.02216	5.2
89.07126	1.0
91.05459	2.2
95.04953	1.0
95.08593	3.4
97.02853	1.7
98.02387	1.1
98.06029	1.5
98.21504	1.0
98.97547	1.1
99.04460	6.3
99.05563	3.3
99.52156	0.8
100.02210	0.9
100.04000	0.8
102.03772	20.0
103.02162	2.3
103.03943	15.5
109.02879	4.6
112.07568	1.1
113.06001	2.0
114.03728	3.0
114.05509	1.6
120.04805	3.9
124.07571	1.1
126.05516	16.4
127.03918	6.8
130.08630	1.0
131.06377	9.4
132.04785	12.6
137.05974	1.0
141.09161	1.7
141.93730	0.8
142.08623	4.1
146.02715	2.0
147.05821	0.9
149.07440	48.2
152.07013	2.3
154.08630	2.1
159.05858	3.4
159.10202	1.4
159.11641	1.5
175.05360	3.1
178.71390	0.8
180.06548	11.6
181.05064	1.2
184.09659	2.5
187.07542	1.1
198.07587	3.1
203.03514	1.0
203.05255	1.2
207.02812	0.8
216.08669	1.5
218.08176	0.9
231.11588	3.5
241.09682	1.1
242.08080	1.3
243.11449	0.9
255.11209	1.2
257.09479	1.6
259.08322	4.9
261.12790	3.7
263.07401	1.3
275.10541	3.1
293.11646	100.0
293.64932	0.9
294.11890	3.3
302.09634	0.9
302.12427	1.0
318.14267	1.0
394.14743	3.6
405.12711	1.8
405.16907	30.9
423.16238	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01867	7.0
55.05510	29.0
57.03436	10.2
57.07084	3.5
63.08175	2.7
65.03955	3.6
67.05505	94.4
69.03436	24.1
69.07078	21.4
70.99138	8.8
71.05009	5.9
73.02911	3.2
76.31447	2.9
79.05498	46.3
81.03421	37.5
81.07062	100.0
83.04977	9.4
83.08613	12.5
85.02913	14.3
85.06530	6.4
86.09721	7.4
88.70844	3.5
91.05482	41.3
93.07047	64.6
95.04976	13.3
95.08607	49.8
97.02890	9.7
97.06531	7.3
99.04463	11.0
105.07027	35.5
107.05001	4.9
107.08598	41.2
109.06513	9.4
109.10155	46.5
111.04434	8.0
111.08085	6.8
111.11737	3.1
117.06984	15.6
119.08604	30.3
121.10140	28.1
123.04451	4.9
123.08067	6.7
123.11709	10.0
125.09679	4.2
129.07019	8.2
131.08571	25.3
133.10130	25.3
135.08051	5.0
135.11687	22.3
141.07001	3.2
143.08585	11.6
145.10115	21.2
147.11700	18.5
149.09671	6.4
149.13274	15.3
155.08498	3.4
157.10130	8.3
159.11679	18.9
161.09584	4.7
161.13304	9.6
163.14934	5.4
169.10103	7.6
171.11684	7.4
173.11795	7.5
173.13300	10.5
175.11186	3.3
177.12692	3.6
179.14380	4.0
183.11655	3.8
184.07362	10.3
185.13277	4.7
187.11157	3.7
187.14899	6.9
195.13812	5.4
241.19562	3.6
243.21118	6.7
259.20618	6.0
261.22174	24.2
277.14307	2.9
277.21716	5.7
289.21643	3.8
303.23257	9.0
315.23178	6.8
333.22028	3.0
341.24713	3.0
345.24655	3.1
351.23172	4.0
369.24289	16.9
387.25165	13.0
405.26602	19.7
411.88281	3.4
423.27289	44.6
423.32034	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	423.1434
Annotation	(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
Peak:m/z	Relative Intensity
52.58829	1.7
55.82996	1.6
56.96526	2.7
58.99580	4.7
60.04519	2.1
60.60612	1.9
61.02934	3.3
67.05500	10.6
69.03428	9.5
69.07067	43.3
70.06583	11.7
71.04994	2.1
71.58463	2.8
76.02229	2.7
81.03422	7.2
84.04486	2.4
84.08163	5.6
85.02901	28.2
91.37858	1.9
95.04996	4.6
97.02908	13.4
99.02685	5.7
99.04473	1.9
100.02204	2.9
101.02472	1.6
101.04248	21.7
109.02905	3.3
112.07602	12.7
116.98628	2.0
119.01961	3.4
121.06504	5.6
122.02745	2.5
123.04410	2.8
124.07558	2.5
127.02135	15.5
127.03922	6.8
127.05798	2.9
133.03453	3.4
134.99643	2.2
138.05504	3.2
138.09175	2.2
140.07057	32.8
143.01747	6.5
144.01947	3.8
145.04961	2.4
147.04393	2.7
148.02267	7.6
152.07066	3.3
155.01727	9.1
157.03471	1.8
161.02979	5.9
161.06624	2.5
163.02698	2.0
170.06369	5.4
171.01134	20.0
172.01466	15.5
172.04280	63.6
173.00928	2.2
173.02940	4.5
175.04509	2.3
179.07594	2.1
180.04865	2.8
180.08572	2.0
182.08206	8.3
185.02902	2.8
185.75948	1.7
187.04539	2.2
197.07411	4.4
198.05869	6.7
203.04012	2.4
203.07617	2.8
214.05397	7.7
215.08401	3.8
217.58060	2.0
221.05115	4.4
244.06409	18.3
245.05063	4.5
248.09348	1.9
260.05960	2.3
261.06409	2.9
261.09067	23.7
286.07538	3.9
286.14066	5.0
293.10876	2.1
302.12296	4.2
305.10938	6.0
323.11884	2.9
342.09912	2.0
377.13882	6.9
423.14337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1433
Annotation	(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
Peak:m/z	Relative Intensity
57.03430	1.1
58.99583	5.1
59.15882	0.8
61.02905	1.6
67.05500	5.4
69.03426	5.1
69.07067	13.5
70.06566	1.3
70.99450	2.2
74.50687	0.7
76.02223	2.3
81.03411	1.7
82.41859	0.8
83.95177	0.8
84.08128	3.4
85.02905	10.6
88.03990	0.8
95.04943	1.7
97.02892	5.0
99.02670	2.2
101.04239	42.2
109.02856	1.2
110.06019	1.0
110.47864	0.8
112.07590	2.4
120.08073	1.0
122.02763	1.0
125.04142	1.0
127.02164	4.5
127.03931	2.0
127.05779	2.8
129.03680	1.4
129.10240	0.8
138.05455	0.8
139.94504	0.8
140.07062	7.5
143.62617	0.6
145.04985	0.9
155.01546	1.8
170.06366	2.3
172.04272	100.0
173.04561	1.0
175.04314	1.0
180.04816	1.7
182.08176	2.8
195.61325	0.7
197.07462	2.8
198.05884	4.5
201.62463	0.7
214.05313	10.1
215.08519	6.1
219.01855	0.8
244.06395	7.5
261.09070	11.8
266.34424	0.8
286.07291	1.4
303.10129	1.0
334.09592	1.6
339.10144	1.0
342.10168	0.9
360.11057	2.1
377.13791	8.4
413.50308	0.7
423.14319	76.8
424.14621	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.5
58.99578	2.5
67.05493	9.2
69.03425	9.7
69.07076	31.0
70.11813	9.3
81.03420	4.3
85.02905	15.3
86.09657	2.6
95.05000	4.8
97.02911	11.7
98.97572	4.8
99.02691	4.2
101.04237	19.3
105.45401	2.3
109.02846	4.5
110.06045	2.5
112.07597	3.7
119.01939	5.9
127.02147	16.8
127.03917	4.5
131.01909	3.4
133.03461	4.6
140.07089	19.4
143.01904	4.1
145.03485	4.0
145.04935	2.9
152.07072	5.2
155.01727	6.3
161.02939	5.2
164.11050	2.4
169.18903	2.3
170.06355	2.9
172.04277	49.9
173.02937	2.9
175.02820	2.7
180.04865	2.4
182.08174	5.5
197.07419	3.0
198.05824	3.4
214.05472	5.0
215.08437	3.3
215.98514	3.5
221.05115	3.1
239.60193	2.5
243.02640	3.6
244.06303	11.4
261.03754	3.0
261.09097	20.6
302.12555	4.6
321.10358	6.4
363.10294	2.7
377.13626	3.8
423.08957	100.0
423.14322	67.2
424.09009	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	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05523	16.3
57.03437	5.1
59.04988	2.4
61.02918	3.2
61.45732	2.8
67.05503	12.6
69.03431	14.6
69.07072	9.5
69.48887	7.5
69.49305	21.2
70.06593	10.7
71.04992	9.5
73.02908	4.8
74.08216	3.3
75.09190	2.8
75.21615	2.7
79.05487	8.4
81.03415	11.5
81.07059	27.4
83.04987	18.3
84.04520	4.0
84.08130	3.6
85.02911	38.5
85.06588	4.8
86.09698	3.8
87.04475	4.0
91.05492	9.2
93.07061	9.8
95.04964	51.4
95.08594	18.7
97.02911	19.3
97.06549	7.2
97.10195	3.9
98.20744	5.8
98.97591	8.1
99.04453	33.2
103.03967	4.5
103.05472	3.1
105.07030	21.4
107.04919	3.9
107.08591	22.6
108.53803	2.9
109.02861	7.3
109.06533	11.4
109.10155	34.4
111.08105	7.1
112.07636	3.4
115.03938	6.2
116.01689	22.0
116.98595	7.5
119.08585	29.6
121.06540	4.9
121.10142	36.1
123.08072	36.9
123.11687	8.3
125.06014	3.6
125.09636	5.9
127.03922	20.1
127.07565	3.5
128.24593	3.0
133.10121	11.8
134.99706	4.9
135.08040	5.5
135.11716	3.8
137.05989	4.6
137.09631	32.7
137.13292	5.1
139.07487	4.4
141.09116	3.3
143.08563	3.3
145.04973	13.2
145.10095	9.6
147.11688	21.5
149.09630	21.3
151.07509	3.5
151.11208	11.8
153.09135	25.2
159.11722	7.0
161.09641	3.2
161.13278	23.4
163.11189	12.7
165.12767	13.0
171.11752	3.3
177.12746	5.9
179.14357	11.5
181.12254	3.8
182.48535	3.1
189.12726	22.4
192.05983	3.3
195.13834	4.1
207.13818	57.5
225.14862	100.0
234.99010	3.8
237.02867	6.5
243.15964	13.8
261.04208	3.3
298.19992	3.0
301.11911	5.3
350.60507	3.0
400.15186	3.8
404.12646	6.6
422.13220	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	423.0899
Annotation	Mangiferin
Peak:m/z	Relative Intensity
62.79969	1.7
67.45080	1.7
70.52747	4.2
70.53101	3.7
72.69273	1.7
75.11698	1.7
103.26526	1.6
107.26571	1.9
107.27348	1.7
172.04268	3.8
243.02620	3.2
261.03677	3.9
271.84525	2.1
395.62872	2.3
423.08969	100.0
424.09598	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	422.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
56.02284	0.5
56.68716	0.5
57.03426	1.2
61.02918	1.1
63.46880	0.4
69.03436	3.0
70.06574	0.6
71.57951	0.9
73.02894	0.5
74.00656	0.8
80.38199	0.4
81.03405	1.1
84.08110	0.6
85.02909	7.8
95.05059	0.5
96.08168	0.5
97.02879	3.3
99.04449	0.8
100.02190	1.1
101.02499	0.5
109.02889	0.8
109.72281	0.4
113.84248	0.5
115.02182	2.3
119.01909	0.8
120.01168	0.8
121.06506	1.6
123.04442	0.7
127.03904	1.5
137.05943	0.5
138.09145	0.5
139.03981	0.4
140.55460	0.5
143.01627	17.6
144.01900	0.5
145.04948	1.4
146.02673	1.5
147.03047	0.5
147.04362	0.6
152.07062	0.7
153.04082	1.5
161.02948	1.5
171.01112	100.0
172.01447	1.6
172.04251	1.0
173.02992	0.5
195.33144	0.5
203.04018	0.5
221.05104	0.7
243.03238	0.7
260.05823	19.0
275.09830	0.5
287.82526	0.5
293.10706	0.6
302.06812	0.8
375.26047	0.5
375.79913	0.5
404.09924	0.5
422.12952	0.8
423.13925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2585
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03938	3.0
55.01876	6.5
55.05516	20.9
56.96555	2.8
57.03442	9.5
58.06090	1.6
59.05005	2.4
61.46046	1.5
65.03959	3.8
67.05507	53.0
69.03438	6.1
69.07069	13.6
69.84496	9.1
71.04992	4.9
79.05495	41.1
80.08345	1.6
81.03419	18.3
81.07056	33.1
83.04975	10.0
83.08611	12.0
85.02919	2.6
85.06565	4.7
91.05482	40.1
93.07051	26.3
95.04366	2.8
95.04971	54.8
95.05551	3.0
95.08606	24.9
97.02914	2.8
97.06547	15.2
97.10176	12.7
101.02399	1.8
103.05457	1.8
105.07041	18.3
107.04961	22.8
107.08588	15.7
109.06515	7.6
109.10159	28.3
111.04465	1.6
111.08086	4.2
115.05489	2.7
117.07039	14.0
119.04978	4.3
119.08586	20.7
121.06513	18.5
121.10174	6.6
123.08099	7.1
123.11722	1.8
125.09641	8.0
128.06204	2.8
129.07004	13.0
131.04935	2.3
131.08569	20.4
133.06516	8.9
133.10132	13.5
135.08044	7.4
135.11674	2.8
137.06023	6.4
137.09659	4.5
139.11241	1.7
141.07016	5.1
143.08527	8.9
145.02930	1.8
145.06543	4.3
145.10107	11.5
147.08095	6.3
147.11751	4.5
149.09708	4.9
149.13277	2.4
155.08603	6.5
157.06529	2.5
157.10144	11.3
159.08130	4.5
159.11697	9.5
161.09683	6.5
163.03986	5.9
163.07596	2.3
163.11188	9.3
167.07196	1.6
167.08594	3.4
169.10196	3.2
171.08025	3.1
171.11745	4.9
173.02409	1.6
173.09637	2.4
173.11806	5.9
173.13272	2.6
175.07506	1.5
175.11163	9.6
177.12819	5.8
181.10138	3.0
183.11812	5.1
185.09683	3.4
185.13358	3.7
187.11188	2.2
187.14952	2.1
187.24442	1.7
189.09183	6.5
189.11256	8.5
189.12770	3.2
191.14362	1.6
193.12263	9.8
195.11707	4.0
199.11263	3.6
201.12817	2.9
203.10782	7.0
203.12708	3.0
203.14452	3.3
203.52887	1.7
205.12332	5.9
209.13339	2.0
213.12769	2.9
215.07123	3.7
217.12337	2.7
219.13870	2.7
223.13284	3.6
231.13884	3.0
245.15538	2.1
249.14848	7.2
255.09279	2.3
259.09674	19.6
275.07181	1.8
283.20724	2.6
289.62527	1.5
301.21719	5.3
311.19916	11.4
319.22757	1.7
329.21121	76.0
330.21545	2.7
347.22198	14.9
365.23294	2.5
367.22473	2.4
377.23328	2.2
385.23828	5.4
403.24786	64.6
404.25165	3.5
421.26062	100.0
422.26541	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	421.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11734	1.9
51.66776	1.5
53.03942	3.1
55.01872	10.0
55.05497	6.7
57.03427	6.6
57.07063	5.3
60.04515	1.8
61.02916	1.7
67.05490	5.7
68.99778	4.4
69.03428	32.0
69.07053	5.2
70.06600	2.5
71.01348	3.6
71.04978	4.1
71.08619	5.5
71.57681	2.6
71.58099	2.7
72.44946	1.4
73.02929	3.7
79.05486	8.5
80.77293	1.5
81.03423	19.2
81.07059	24.3
83.04955	6.2
83.06102	12.0
83.08636	1.8
84.04490	2.2
84.08126	3.3
85.02425	3.1
85.02905	36.0
85.06533	7.3
86.09686	3.7
87.00839	14.7
87.04469	3.6
91.05482	17.1
93.07038	7.0
94.19245	1.5
95.04979	8.5
95.08596	6.6
97.02896	32.8
97.06509	3.7
97.10168	3.1
98.97614	1.6
99.04447	9.5
99.08109	15.7
103.03946	2.9
103.11594	1.7
105.01852	8.5
105.07036	30.3
107.04966	3.5
107.08585	7.4
109.02887	13.3
109.06506	5.9
109.10139	6.2
111.04425	6.4
113.06005	2.3
115.03945	14.6
115.05468	2.7
116.06216	2.5
117.07018	10.4
117.09122	7.6
119.08589	23.9
121.06473	2.6
121.10114	4.7
123.04450	3.1
123.08078	2.2
125.02298	2.2
125.06033	1.9
127.03919	17.8
128.06192	3.5
129.01862	2.6
129.07021	8.5
130.07785	1.8
131.04912	3.0
131.08571	99.5
132.08916	3.3
133.06427	3.2
133.10118	8.6
135.67050	2.1
137.05989	6.1
137.09581	1.8
137.13173	2.4
138.09131	5.9
139.11217	2.1
141.06927	2.1
141.09077	9.5
142.07771	6.7
143.08537	12.2
144.09302	3.8
145.04938	3.8
145.06468	2.8
145.10132	42.3
147.11678	9.3
149.05978	1.9
149.09622	3.4
151.03902	2.2
153.05415	3.8
153.12706	3.7
155.08580	4.7
155.10678	2.0
155.14316	6.5
156.09326	15.1
157.06505	2.7
157.10135	23.3
158.10884	5.2
159.02905	4.5
159.08043	2.1
159.11707	19.3
161.06035	2.2
161.09572	3.0
161.13246	3.5
165.07198	1.9
167.08577	2.9
168.09375	2.5
169.10124	3.8
170.10912	2.4
171.11688	40.5
173.13264	100.0
174.13660	2.9
175.07500	2.4
175.14822	20.6
177.11217	5.0
179.08539	4.9
181.10162	4.2
182.10948	2.0
183.08116	1.8
183.11723	8.1
185.13258	14.8
187.05978	2.5
187.11189	6.6
187.14828	4.5
189.12711	6.9
191.14223	3.2
193.10210	2.6
194.10826	2.2
195.11652	5.9
197.13185	4.2
199.11176	2.5
199.14749	3.7
200.04558	1.8
201.03925	4.7
201.12735	17.8
203.14259	12.3
207.11664	2.5
209.13263	6.6
209.15160	2.0
211.14749	3.4
213.12724	6.4
215.08243	2.5
215.14322	5.6
221.05066	5.0
225.12856	2.5
227.14307	4.9
231.05029	2.5
231.13817	6.2
235.14893	2.9
237.12735	4.2
239.14276	6.1
243.13773	2.1
253.15897	4.5
255.13817	5.7
257.15265	4.0
259.09674	2.4
260.00150	1.9
263.14334	3.5
269.15118	2.3
271.16815	2.5
273.14944	3.0
275.09784	3.2
281.15323	10.6
285.08206	4.4
295.55115	1.9
299.16449	11.4
301.11456	2.1
317.10754	4.0
317.17514	4.9
359.14697	4.6
377.16086	8.8
385.16324	8.9
385.20285	2.9
403.17679	13.1
421.17856	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	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67238	0.2
53.03954	0.9
55.01871	0.5
55.05507	2.3
57.03429	0.6
57.07069	0.5
64.06203	0.2
65.03944	0.7
67.05507	2.7
68.99788	0.6
69.03426	6.6
69.07064	2.0
71.04992	0.5
71.08630	0.4
79.05494	5.3
81.03410	3.1
81.07053	5.6
83.04974	2.3
83.08622	0.5
84.08145	0.7
85.02905	1.0
85.06503	0.3
87.00830	2.6
91.05472	6.1
91.06005	0.4
93.07046	3.4
95.04947	1.6
95.08607	2.0
97.02886	3.0
97.06533	1.3
99.04450	1.2
99.08077	0.6
103.05423	0.4
105.01900	0.5
105.07025	7.0
107.04952	4.2
107.08591	18.7
109.02878	4.1
109.06510	2.4
109.10152	6.0
109.10899	0.3
111.08092	0.3
115.05440	1.6
117.07012	1.9
118.07754	0.4
119.06094	0.3
119.08571	3.1
121.06504	2.1
121.10133	10.1
122.07291	5.3
123.08054	1.2
127.03912	11.5
129.07008	0.4
131.08572	2.7
133.10124	100.0
134.10431	2.3
135.04404	0.3
135.08049	7.0
135.11665	1.5
137.06078	0.6
137.09610	55.4
138.09976	1.2
143.08549	1.3
145.04977	0.7
145.10107	1.4
147.04393	0.3
147.08087	0.5
147.11700	2.0
149.09647	2.4
149.13254	8.2
155.14316	0.8
157.10149	0.3
158.10902	1.1
161.06111	0.2
161.09563	0.5
163.03967	0.3
163.07509	0.4
163.14789	2.0
166.96602	0.2
169.05037	0.4
173.02257	0.3
173.13258	6.3
179.07021	0.3
181.04956	0.3
189.12769	0.6
191.14296	49.1
192.14674	1.8
202.92889	0.3
212.89778	0.2
213.03937	3.6
215.07030	0.7
229.59355	0.3
231.05049	2.2
231.13873	0.3
257.15445	0.3
259.09671	2.4
260.01715	0.3
281.15359	0.3
299.16296	0.6
306.13428	0.2
317.17377	0.7
335.18427	0.7
363.06055	0.2
403.17273	1.1
421.18381	1.2
421.23242	0.5
425.80695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05506	4.1
67.05496	1.7
69.03438	6.3
69.07066	5.9
69.26632	1.0
69.69402	6.9
70.06597	7.3
71.04997	1.8
72.08144	1.9
72.93775	1.1
79.05492	3.7
81.03416	2.9
81.07050	3.6
82.06565	1.3
83.04976	1.0
83.08593	1.0
84.08157	1.5
85.02916	6.5
86.09695	1.6
91.05470	9.3
93.07037	8.8
94.89946	0.9
95.04955	2.7
95.08611	2.1
97.02880	2.9
99.04518	1.2
103.05515	1.3
105.07032	26.8
107.04903	1.1
107.08607	8.4
109.02895	2.9
109.06533	1.7
109.10149	1.5
109.64966	0.9
110.07196	1.2
115.05456	1.2
116.07075	4.7
116.98625	2.4
117.07034	6.7
119.04924	1.4
119.08582	89.5
121.06511	2.9
121.10128	4.0
122.03718	2.1
123.08071	0.9
125.05991	1.5
127.03918	3.9
129.06953	1.9
131.04970	1.3
131.08551	9.3
132.04482	1.1
132.95863	2.1
133.10136	24.0
135.08060	2.0
135.11700	2.9
137.05975	33.9
137.09639	1.7
138.06360	1.4
141.07033	1.0
142.08636	4.0
143.08502	1.6
144.09331	4.9
144.95830	1.4
145.04979	2.8
145.06403	1.5
145.10130	3.1
146.10931	1.5
147.04364	2.5
147.08005	1.9
149.05997	6.0
149.09619	1.7
149.13286	3.1
150.96796	1.5
151.03946	1.3
153.09093	3.4
156.07686	1.1
157.10138	1.6
158.97394	1.9
159.08099	1.7
159.11697	51.2
161.09679	2.5
161.13255	100.0
162.13683	1.7
163.07513	3.0
163.11258	1.2
174.96927	1.3
175.11215	1.1
177.12750	16.7
179.10686	2.2
181.05029	1.7
181.08557	1.2
187.11174	9.7
189.12794	1.1
198.96780	1.6
205.08235	1.2
205.12254	36.5
205.14201	1.9
212.07254	1.1
219.01891	1.2
223.13293	78.5
224.13719	1.4
234.98996	2.0
245.19157	0.9
293.09073	1.2
361.05838	1.7
376.09824	3.7
385.18408	1.5
420.08978	18.3
420.15646	6.9
420.21231	1.7
421.09909	2.7
421.15820	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.2
57.02561	1.7
61.02941	2.0
67.05504	3.6
69.03429	6.7
69.07071	5.3
69.40859	15.8
70.06590	7.8
76.65894	1.7
79.05488	4.5
81.03414	4.7
81.07068	2.7
85.02898	9.5
88.07603	2.1
88.51924	1.7
91.05484	11.9
93.07059	9.1
95.04977	2.7
95.08626	4.0
97.02927	2.7
98.97580	3.5
103.05486	3.6
105.07036	28.9
105.40050	1.6
107.08596	8.0
109.02905	3.2
109.10169	2.6
116.07094	5.3
117.07012	4.9
119.04965	2.1
119.08583	85.8
121.06512	5.8
121.10148	7.0
123.04430	2.2
127.03916	5.8
131.04916	3.9
131.08574	8.2
133.10129	30.4
135.08006	2.2
135.11662	3.9
137.05992	7.9
137.09663	2.1
144.09369	7.5
145.06477	2.7
145.10039	2.2
146.10910	2.0
147.04401	5.7
147.08092	2.1
149.05988	6.2
159.11691	59.4
159.39076	2.5
161.09627	2.2
161.13260	100.0
162.13541	2.1
163.06265	1.7
163.07541	6.1
163.11186	1.9
167.07074	2.3
169.03235	1.9
172.07530	3.2
177.12747	19.9
179.10684	4.0
181.04941	2.9
187.11211	8.7
188.06683	1.8
190.69096	1.7
205.12245	32.7
218.63174	1.8
219.01672	1.9
223.13290	60.9
224.13573	2.2
237.02809	1.8
293.09091	4.1
293.12024	2.2
358.15588	2.3
420.16019	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	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05510	26.4
59.25311	1.0
63.83475	1.0
67.05497	1.3
69.03453	2.7
69.57304	8.0
79.05484	1.2
81.03433	1.6
83.04983	85.1
85.02881	2.1
93.07068	2.2
93.27168	1.0
95.08608	1.2
97.06548	2.1
100.14555	1.0
107.08576	2.3
109.02898	2.4
111.08083	1.3
127.03879	1.3
137.06010	3.3
153.12753	100.0
154.13051	1.8
167.07005	1.3
171.13800	24.8
177.64688	1.1
181.04935	2.8
273.95627	1.2
325.88086	1.0
362.45108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05516	1.0
57.03178	1.9
57.03436	19.5
57.46189	1.0
59.04997	5.0
60.04520	2.7
61.02922	2.6
65.03932	1.5
67.05500	1.4
69.03429	73.5
70.06590	3.7
71.01357	1.3
71.05002	1.4
71.58961	2.0
72.08147	1.4
72.59668	1.0
73.02895	2.3
73.85820	1.0
75.04478	3.2
79.05480	2.8
81.03408	4.2
83.04984	1.5
84.08121	1.0
85.02904	59.4
86.09668	1.0
87.04470	50.5
91.05480	100.0
91.86417	1.1
92.05811	1.8
93.07038	1.5
95.04979	1.3
95.08610	3.6
97.02891	76.2
97.06516	1.9
98.97576	1.1
99.04486	3.4
103.03935	2.4
105.07037	4.3
107.04969	8.3
107.08582	1.6
109.02859	2.2
112.07671	1.4
115.03931	82.4
116.04250	1.6
116.07104	1.2
117.05510	2.5
117.07032	2.3
119.08566	2.3
121.06506	1.1
121.10098	1.5
123.04417	1.6
125.67397	1.1
127.03906	7.1
129.07002	2.3
131.08612	1.7
133.04964	85.8
133.06551	4.8
135.04436	1.5
137.05997	2.5
145.04956	11.3
145.06517	2.1
150.07622	11.7
151.03915	2.1
159.08147	1.6
159.11693	5.3
161.04492	4.5
163.03882	1.9
163.06039	3.0
163.07440	1.6
163.11244	1.5
171.08073	2.2
175.07570	3.2
177.05505	2.3
177.12772	4.9
181.04869	1.4
191.19200	1.1
205.08591	2.7
205.12289	1.6
214.36739	1.1
215.08102	1.3
217.08585	3.7
223.06064	4.9
223.09653	10.7
223.13295	4.2
235.09738	2.2
241.07137	2.6
244.63571	1.1
253.10785	3.5
259.08167	4.4
261.80817	1.3
264.15179	1.2
271.05640	1.4
271.11700	1.2
277.09250	2.7
295.10330	3.6
357.49594	1.1
376.16669	2.1
384.60355	1.6
391.74030	1.1
420.15311	4.3
421.17645	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
54.81134	1.1
55.01877	5.5
55.05515	13.2
57.03438	9.2
57.07077	24.2
58.72436	1.2
61.02922	3.1
67.05499	2.3
68.99791	2.1
69.03431	14.0
69.07063	5.4
70.06583	1.7
70.13912	2.9
70.14316	2.4
71.04984	3.7
73.02920	3.4
73.06522	1.2
79.05493	7.2
81.03426	16.4
81.07056	92.7
82.07384	2.2
83.04986	14.1
85.02907	34.1
85.06564	6.1
87.00835	14.2
87.29431	1.2
91.03953	1.7
91.05471	2.0
93.07063	2.1
95.04972	12.7
95.08600	6.9
97.02888	22.8
97.06526	4.3
98.97619	1.7
99.04462	6.8
99.08092	100.0
100.08422	2.0
105.01866	10.5
105.07011	1.5
107.08582	1.8
109.02876	14.4
109.06496	2.0
117.01835	3.0
119.04936	1.3
119.08582	2.1
121.06503	3.4
121.10132	1.5
123.08105	1.5
127.03915	22.7
128.04317	1.8
129.01802	1.8
131.10501	1.3
132.22169	1.3
133.10115	1.7
137.05908	2.9
137.13228	3.5
145.04970	14.0
147.02913	1.2
147.11766	1.5
149.02420	1.5
151.03899	2.5
151.11192	2.9
153.12733	26.1
154.13062	1.2
155.14301	30.4
155.15567	1.9
159.02887	9.7
163.11240	1.6
169.12267	1.3
181.05025	2.4
189.12740	1.9
220.88977	1.0
231.05022	2.9
235.13327	1.4
323.60901	1.2
357.15717	1.3
361.10547	1.3
419.21875	5.2
423.99286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32716	0.5
69.36001	1.2
69.36427	3.4
71.16822	0.5
94.92418	1.0
94.93016	14.1
120.94550	1.5
127.03648	0.5
136.94022	100.0
148.94022	31.1
166.95087	62.2
178.95099	3.3
190.95094	1.0
196.96141	22.7
208.96136	2.5
220.96175	1.9
238.97247	2.9
256.98254	18.4
374.62698	0.5
376.52145	0.6
412.66901	0.5
419.03531	27.0
420.03906	0.7
432.34921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00190	2.1
53.03943	7.5
55.01886	10.2
55.05505	8.6
57.03432	8.8
57.07077	11.7
57.80457	2.0
59.04997	6.7
61.02936	3.8
66.82663	2.3
67.05517	8.6
68.99815	2.2
69.03434	29.4
69.07053	10.0
69.76297	13.0
70.06594	3.9
71.04975	3.2
73.02922	4.9
79.05486	5.2
81.03426	25.5
81.07066	23.1
83.04983	9.2
83.08629	2.3
85.02422	3.4
85.02908	46.4
85.06546	8.3
86.09700	3.7
87.00829	16.6
87.04446	3.4
88.56186	2.2
90.85227	2.0
91.03947	1.9
91.05498	12.5
92.05774	3.4
93.07050	9.0
95.04971	9.9
95.08622	26.9
97.02898	30.6
97.06525	10.2
98.97570	2.8
99.04471	11.8
99.08100	27.7
103.05477	3.0
105.01880	14.6
105.07034	6.6
107.04945	3.1
107.08604	12.4
109.02898	20.3
109.06541	6.1
109.10175	14.1
109.10792	2.6
111.08078	19.3
113.09652	23.5
116.98693	2.9
117.07005	2.1
119.08584	6.7
121.02873	2.5
121.06520	5.0
121.10130	4.8
123.04438	3.8
123.08086	4.4
123.11778	2.6
127.03918	36.7
127.11192	20.4
131.04913	3.4
131.08562	2.7
133.10127	4.5
135.08037	3.3
135.11719	13.5
137.05965	14.8
145.04959	15.8
145.06506	2.1
145.10124	2.8
147.04486	2.2
149.02361	8.3
150.02670	5.0
151.11249	4.3
153.09181	2.1
153.12759	100.0
154.13078	3.5
155.14302	9.6
159.02924	12.1
159.11743	2.3
161.09523	2.7
163.11133	3.2
167.07053	8.9
169.12245	2.2
171.13814	53.0
175.07468	3.2
177.12794	4.3
181.04898	10.0
193.08705	3.0
194.08963	2.1
198.49927	2.3
213.03908	3.4
219.01711	2.8
221.08012	2.5
221.11626	3.0
222.08447	2.8
222.11928	2.3
231.04970	11.1
293.09204	6.5
334.06119	2.7
335.10065	4.5
401.20929	3.7
402.19296	3.3
419.12918	12.4
419.17545	2.5
419.21832	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	418.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.04464	0.6
57.03420	0.7
69.03441	0.7
69.90083	1.4
69.90474	1.4
79.05499	0.8
83.04999	0.8
85.02895	1.2
91.05460	0.8
92.49168	0.5
93.07019	1.6
94.06538	0.6
95.04964	0.6
95.08579	1.2
97.06557	0.8
98.21407	0.8
105.07014	0.9
107.08603	1.2
109.02898	0.8
115.05457	0.7
123.08101	0.7
127.03918	0.7
135.11671	0.9
137.06024	1.4
138.37822	0.7
140.04958	2.1
149.09181	0.6
154.06580	0.9
155.04813	1.2
155.06044	15.8
156.10234	0.6
157.07625	0.8
157.10217	0.6
163.07610	0.7
167.05981	3.3
168.06851	2.7
169.07622	24.7
170.06029	1.8
170.07968	1.0
179.06023	9.6
180.06491	0.5
181.05040	0.9
181.07599	2.2
182.05992	1.2
183.05553	14.2
183.09126	1.3
184.07582	1.0
185.07108	7.5
187.94354	0.6
193.07635	9.5
194.06120	1.4
195.03749	0.8
195.04243	0.4
195.05534	20.0
196.06310	11.7
197.07106	20.7
198.05511	5.6
198.07294	1.3
201.06537	1.6
207.05544	6.0
208.06299	1.3
209.07179	3.1
210.07893	1.5
211.05067	2.0
211.08688	5.2
213.06583	17.2
221.07095	15.3
222.07652	0.9
223.05006	1.5
225.06590	39.2
226.06970	2.1
229.06085	16.1
236.08260	0.8
237.06630	3.1
238.07422	3.2
239.04478	2.5
239.08154	21.3
240.08437	0.7
241.06131	2.8
243.07707	6.3
249.06615	8.3
250.07042	0.7
251.08209	0.8
253.06094	4.0
255.07690	1.9
257.05487	4.8
257.09399	0.7
265.06042	2.0
266.06833	1.2
267.07666	14.2
269.05566	2.8
271.07129	27.0
272.07309	1.5
277.06082	9.9
280.07010	0.8
283.07022	1.1
285.08698	26.5
286.09128	1.3
290.09229	0.8
295.07150	26.8
296.07407	1.4
312.09869	1.4
313.08197	29.8
314.08569	1.8
331.09238	9.6
336.09573	1.5
340.09305	4.2
354.10696	2.8
358.10336	33.5
359.10794	1.8
372.12009	4.0
382.10345	6.3
400.11404	40.7
401.11545	3.5
418.12451	100.0
419.12698	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05517	0.6
56.96554	0.6
57.03437	0.6
65.03933	3.7
69.03428	3.5
70.06594	0.9
71.04996	1.0
71.57611	0.7
73.02912	0.8
74.10027	0.5
80.05008	1.0
81.03419	3.6
83.04979	1.0
85.02430	0.8
85.02915	9.7
86.09727	0.5
92.05009	32.7
93.05293	0.6
93.05808	3.0
94.06567	2.2
97.02904	3.9
99.04461	6.5
103.03954	5.6
103.04576	0.7
109.02889	4.1
110.06046	100.0
111.06401	2.0
116.98615	0.5
127.03928	10.1
145.04961	3.0
152.07048	0.7
163.29610	0.5
168.06612	0.5
172.95308	0.5
173.66948	0.5
182.17271	0.5
183.00369	0.5
187.06082	0.8
218.07977	0.6
236.09200	0.7
254.10254	1.4
258.69086	0.6
272.11356	3.3
329.40387	0.5
336.34714	0.6
354.15503	2.5
398.14560	1.1
416.15527	49.4
417.15723	2.8
419.20480	0.5
442.37726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00053	1.4
69.37318	14.5
69.49191	1.3
76.07676	1.4
85.02932	1.2
169.97261	1.4
318.90198	3.2
373.08987	10.1
417.07928	100.0
418.08124	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	415.3207
Annotation	Diosgenin
Peak:m/z	Relative Intensity
51.03178	0.7
55.05518	4.1
57.03429	2.1
66.92518	0.7
67.05497	10.0
69.07069	29.7
70.00185	4.7
73.06550	4.2
79.05495	7.4
81.07048	12.5
83.04987	0.9
83.08622	0.9
86.09728	2.1
91.05461	6.7
93.07039	11.3
95.04969	1.8
95.08601	9.1
96.07286	0.8
97.06519	4.2
98.98460	5.1
105.07044	10.0
107.08599	13.1
109.10151	11.3
115.07565	3.7
117.07018	2.9
118.45079	0.8
119.08575	9.4
121.10147	18.2
123.11684	2.1
124.20450	0.7
125.00006	0.9
125.09619	7.0
129.07021	2.7
131.08569	8.3
133.10118	13.7
135.11710	5.6
142.07806	2.5
143.08559	5.6
145.10132	12.0
147.11691	15.9
149.09631	1.7
149.13264	3.2
151.11166	1.9
155.01003	6.3
155.08560	2.2
157.10133	32.5
159.11679	16.4
161.09610	0.9
161.13281	2.3
163.11241	1.6
163.14767	2.0
169.10132	2.6
171.11699	6.2
173.13281	5.0
175.11182	7.4
177.12695	1.1
183.11681	4.4
184.07420	3.5
185.13289	2.7
187.14816	1.5
197.13206	6.6
198.80432	0.8
199.14833	1.2
201.16476	1.2
211.14828	5.5
213.16386	1.4
223.14919	0.8
224.15616	2.0
225.16370	2.0
238.17117	1.3
243.21153	2.1
246.49112	0.9
253.19522	46.9
254.19861	1.3
261.22128	7.0
262.22690	0.9
271.20554	100.0
272.20953	2.6
283.24280	2.6
301.20038	1.5
397.31158	1.6
415.32083	37.6
416.32224	1.5
429.95758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.9
67.05503	8.0
69.07069	31.7
69.84049	3.5
69.84457	8.5
73.06554	3.6
79.05490	6.2
81.07040	9.6
86.09705	1.7
91.05482	5.0
93.07058	11.2
95.08604	9.9
97.06549	4.5
101.56708	1.8
105.07037	8.0
107.08598	11.5
109.10155	10.2
115.07587	4.3
117.07026	2.9
119.08577	41.9
121.10145	16.8
123.11726	2.7
125.09646	3.5
129.07016	3.7
131.08575	7.3
133.10124	15.3
135.11714	4.5
139.03201	1.8
142.07791	4.2
143.08583	5.0
145.10112	12.2
147.11684	18.2
149.13260	2.1
151.11162	2.5
157.10152	33.9
159.11662	16.3
160.22536	1.6
169.10193	2.2
171.11754	8.5
173.13292	2.4
175.11247	8.2
183.11732	4.5
184.07359	5.5
185.13271	2.8
197.13304	6.8
211.14842	5.0
213.16394	2.2
225.16377	2.0
253.19516	52.0
254.20009	2.1
271.20572	100.0
272.20877	2.3
283.24353	3.6
392.19095	1.9
397.16672	2.3
415.32047	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	Diosgenin
Peak:m/z	Relative Intensity
51.68196	0.4
55.05513	3.5
57.03414	1.4
62.21533	0.5
67.05505	7.7
69.07069	27.1
70.06065	1.2
70.06458	1.2
71.90064	0.5
73.06551	3.5
75.37305	0.4
79.05489	5.0
81.06667	0.5
81.07063	7.2
83.08587	0.8
86.09642	0.7
91.05473	6.7
93.07045	8.5
95.04955	1.5
95.08070	0.6
95.08609	7.6
97.06530	5.2
97.10156	0.6
104.10738	0.7
105.07033	6.8
107.08595	11.7
109.10157	11.5
115.05426	1.0
115.07595	3.7
117.07002	2.9
119.08579	43.4
120.08848	1.2
121.10136	16.0
123.11699	1.2
123.32221	0.5
125.09633	6.8
127.11208	0.8
129.06964	2.2
131.08572	7.3
133.06476	0.6
133.10127	14.6
135.11717	3.6
137.05978	1.3
141.06972	0.8
142.07756	3.4
143.08540	5.3
145.10118	10.8
147.11691	13.8
149.09642	1.2
149.13216	1.4
151.11147	2.6
155.01030	1.1
155.08516	2.1
156.09242	0.6
157.10126	34.6
159.11697	17.2
159.13016	1.0
161.13257	2.1
163.11194	1.1
166.29692	0.5
169.10129	1.9
171.11705	8.2
173.13268	4.5
175.11171	7.3
175.14830	0.6
177.12741	0.6
183.11719	3.6
184.07312	2.0
185.13235	3.1
187.14832	0.8
196.12486	0.6
197.13266	6.9
199.14867	1.1
201.16354	0.6
211.14825	5.2
212.15527	0.9
213.16365	2.3
223.14841	0.8
224.15657	2.1
225.16309	2.8
238.17162	1.2
239.65129	0.5
253.19505	50.1
254.19862	1.4
261.21960	0.6
271.20557	100.0
272.20880	2.4
283.24225	4.7
301.25320	0.8
397.31104	1.0
415.32062	39.1
416.32501	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	415.3207
Annotation	Diosgenin
Peak:m/z	Relative Intensity
51.00259	1.4
52.83284	1.4
53.03935	1.8
55.01873	1.9
55.05510	3.7
56.05017	1.2
56.32242	1.2
56.96580	1.3
57.03434	2.2
67.05515	9.0
69.03421	4.4
69.07074	24.7
71.05012	1.5
71.59216	1.8
73.06555	4.1
79.05509	6.7
81.03403	4.3
81.07059	8.1
83.04990	1.8
83.08627	2.0
85.02903	2.5
86.06116	1.8
86.09707	5.3
87.04490	1.5
91.05439	7.3
93.07043	10.6
95.04955	2.9
95.08597	6.8
97.02905	3.0
97.06532	7.0
98.97589	2.3
99.04450	3.4
104.07149	2.4
105.07041	8.8
107.04939	2.1
107.08587	11.6
109.02871	3.7
109.06516	1.5
109.10162	11.5
111.04410	1.8
115.07604	3.7
117.07007	3.2
119.04971	1.8
119.08580	8.2
121.10152	15.4
122.06033	3.1
123.08065	1.2
123.11697	1.6
125.00021	2.2
125.09635	5.7
127.03935	4.0
129.06976	1.8
131.04941	1.5
131.08569	6.3
133.10123	12.4
135.08057	1.9
135.11679	5.7
135.40335	1.3
137.05974	4.9
138.00035	1.4
139.07579	1.5
142.07802	3.8
143.08549	6.3
145.10139	13.8
147.11681	17.4
147.13539	1.5
149.13290	1.8
151.11194	2.5
157.10135	32.0
159.11681	17.7
161.13263	3.0
163.11226	2.0
167.06996	1.9
169.10115	2.2
171.11687	5.6
173.13225	4.2
175.11169	8.1
183.04210	1.5
183.11703	2.8
184.07332	15.8
185.13174	3.7
197.13252	6.5
211.14854	5.0
213.16316	2.2
225.16344	3.8
253.19527	48.8
254.19882	1.7
271.20575	100.0
272.21017	3.3
283.24210	2.9
355.13956	1.7
415.23941	2.3
415.26059	1.7
415.32156	35.1
416.24301	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.05514	0.7
56.05038	1.7
56.96572	2.0
58.06602	100.0
62.84325	0.7
67.05504	3.9
67.11305	0.6
69.03442	1.0
69.07074	2.4
71.59418	0.7
73.02946	0.8
79.05497	1.7
81.03430	1.7
81.07059	2.5
84.04530	1.1
85.02907	1.4
85.06568	0.6
86.09704	8.6
88.93652	0.6
91.05473	12.3
93.07060	1.2
94.06575	5.1
95.04993	0.8
95.08642	0.6
97.02906	1.3
97.06556	0.6
98.09734	0.7
99.87263	0.6
103.05478	0.8
105.07001	1.4
107.04949	0.7
107.08620	1.0
108.08134	1.3
109.10134	1.0
110.30266	0.6
111.05609	0.7
113.07140	1.4
114.09174	0.9
115.05491	0.8
115.08707	2.9
117.05799	0.9
119.08625	1.4
120.08127	0.9
121.47373	0.6
122.06037	10.7
123.06836	1.1
127.03989	0.6
129.06998	1.7
130.06569	2.5
131.04900	0.6
132.08099	23.1
133.10135	1.3
137.06018	4.1
138.09198	1.0
143.08228	1.3
144.08067	1.3
145.10187	0.9
146.09709	3.7
147.11737	0.7
154.08664	0.7
160.07593	1.2
163.07692	0.8
171.09221	1.9
171.14937	14.4
173.10680	0.8
181.13344	0.8
184.07381	1.9
188.07106	3.0
188.11852	1.6
189.10249	11.4
199.10957	0.9
199.14426	14.1
200.11777	1.1
210.16054	2.2
213.12407	0.7
214.13316	0.9
217.09749	8.0
227.58569	0.8
238.15508	5.7
239.15506	2.2
255.09030	1.5
256.18106	18.3
259.08673	0.9
273.10300	0.8
276.02972	0.7
284.17679	1.3
285.10263	0.8
292.12485	0.9
301.15506	1.2
302.15033	10.9
302.18430	1.0
309.11542	0.6
309.62015	0.9
312.17087	28.3
313.12912	0.8
313.17447	1.4
318.12131	0.7
325.12933	3.6
325.63080	2.6
327.17102	1.3
330.18130	8.9
332.13547	0.8
334.13165	0.8
339.12778	2.3
339.62872	1.4
355.13919	4.1
355.64099	1.6
357.12585	0.6
358.21277	9.7
365.16718	1.3
383.17703	0.9
397.22748	1.0
406.19254	0.8
415.23462	21.9
416.23981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1751
Annotation	Vermixocin B
Peak:m/z	Relative Intensity
55.01879	0.2
58.65744	0.2
63.02383	0.2
65.03945	0.2
66.04714	0.3
67.05502	0.3
67.37467	0.2
69.07072	0.2
70.72008	0.6
79.05486	0.4
81.03429	0.2
81.07056	0.5
89.03916	1.6
91.05492	0.6
93.07002	0.3
94.04178	1.5
95.04964	0.3
103.05466	4.1
105.07047	0.2
107.04945	0.3
107.08611	0.2
109.10162	0.2
115.05420	0.3
117.03381	4.9
117.04213	0.3
117.06981	0.5
122.03646	4.9
131.04927	11.7
132.05240	0.4
134.03648	0.3
135.04439	0.5
137.05975	100.0
138.06288	1.3
145.02843	11.3
145.06517	0.6
147.04407	0.4
149.05983	2.0
153.05469	0.3
158.06000	0.2
163.07549	10.0
164.07903	0.3
175.07547	1.2
177.05466	17.0
178.05794	0.2
179.07092	0.8
186.05537	0.8
187.05859	0.2
187.07567	0.7
189.09114	0.5
203.10687	0.8
205.08609	2.9
213.09174	0.3
219.10149	1.7
219.58597	0.2
231.10153	2.2
263.45190	0.2
270.44275	0.2
271.60983	0.2
275.92639	0.2
305.11807	0.4
337.14423	0.7
355.15402	12.0
356.15717	0.3
427.17416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.05499	1.7
57.03431	2.2
59.04992	4.6
59.27303	1.6
69.03432	12.9
70.06578	7.8
71.04990	3.7
71.59129	4.5
72.08149	2.4
73.02917	2.5
73.06548	6.0
79.05492	2.1
81.03416	15.6
84.04479	2.5
84.08144	2.2
85.02902	71.6
86.09698	3.0
87.04449	2.2
91.05425	2.1
93.07064	1.8
95.04957	2.5
97.02896	20.8
97.06527	2.3
98.97573	6.5
99.04447	32.7
103.03941	92.2
105.07025	3.1
107.04941	5.3
107.64411	1.9
107.92075	1.8
109.02872	16.2
112.07593	2.9
115.03918	2.7
116.07008	1.9
116.98561	2.5
117.03336	1.8
119.08624	3.1
120.08096	5.0
124.07533	4.0
127.03918	100.0
134.99690	2.2
137.06004	4.6
138.05508	2.6
145.04948	57.5
147.04387	6.5
148.07584	2.8
149.11717	6.2
150.05527	2.3
152.07080	4.8
163.03954	3.4
163.06021	70.6
164.06979	2.6
187.06029	5.9
190.03140	2.0
205.07120	4.9
236.33998	2.1
237.02774	2.3
245.12924	3.3
271.08157	7.9
275.13879	3.4
289.09097	7.4
293.14896	2.0
307.10257	21.8
350.20618	2.3
382.14343	2.1
414.17404	6.3
414.25360	2.3
415.19043	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	413.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67950	1.0
55.05264	1.6
55.05513	26.1
57.03449	10.1
57.06792	1.3
57.07074	27.4
67.05508	10.4
69.07068	32.4
71.03313	2.9
71.05002	1.9
71.08637	18.1
73.06555	1.2
75.04461	1.5
79.05489	4.4
81.07056	17.3
83.04960	1.0
83.08620	27.6
85.10181	8.7
92.07404	1.0
93.07043	7.2
93.41962	1.1
94.34850	1.5
95.08611	14.1
95.48784	1.0
97.06516	5.6
97.10162	16.4
107.08615	5.3
109.10159	7.5
111.08081	3.0
111.11716	4.9
115.07603	1.5
119.08514	1.3
119.13461	1.1
121.10134	7.1
123.11728	3.0
125.09630	2.5
129.09122	1.4
133.10185	1.3
135.11685	5.7
137.13272	2.1
139.11174	3.9
149.13277	5.2
153.12779	3.0
163.14873	3.1
167.14386	2.9
175.14827	1.3
177.16438	1.6
181.15881	2.5
182.64969	1.1
191.17934	1.3
195.17387	1.5
202.98895	1.1
237.22195	1.4
303.30496	4.9
321.31509	10.0
395.35266	12.2
413.36288	100.0
414.36319	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	414.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.05508	1.9
56.96565	1.5
57.03428	2.5
61.02914	1.4
61.92855	1.1
62.08693	0.9
65.25327	1.0
66.34186	0.9
66.97913	1.0
67.05489	1.3
69.03426	10.8
70.06586	2.6
71.04982	3.8
71.59048	2.3
73.02915	4.2
73.05413	1.2
73.06553	2.0
77.04002	1.0
81.03413	13.8
81.07069	1.9
83.01328	1.5
83.04974	1.9
83.13286	1.0
84.04489	1.3
84.08105	1.5
85.02908	66.0
85.06588	1.0
86.09690	2.4
86.95810	1.0
91.05455	1.3
97.02895	20.5
98.97585	1.3
99.04454	32.8
103.03944	87.1
105.07020	1.5
107.04957	2.1
109.02876	15.1
109.06526	1.5
109.10242	1.2
119.08636	1.5
120.08091	1.7
121.06504	1.0
121.10136	1.2
122.49195	1.2
123.04425	2.3
124.07616	1.2
127.03919	100.0
137.05966	6.8
145.04965	60.0
163.03851	2.8
163.06024	82.6
173.07101	1.7
174.07924	1.4
180.06564	33.3
184.07339	1.8
187.05984	5.3
205.07051	5.6
253.07043	1.3
271.08136	9.3
275.13998	2.2
289.09216	8.0
293.14957	1.6
307.10272	20.7
311.91382	1.2
342.11819	2.4
414.13263	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	413.3052
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
52.28546	4.6
55.01878	10.6
55.05518	35.9
56.89534	4.9
56.96563	10.8
57.03442	5.4
57.07072	5.5
67.05508	53.4
68.67632	4.8
69.03423	12.1
69.07070	31.9
70.31017	18.6
71.05009	6.2
79.05495	37.7
81.03420	9.6
81.07064	58.9
83.04983	10.3
83.08614	18.8
83.85004	4.6
91.05484	32.2
93.07045	35.9
95.04974	15.1
95.08603	43.5
97.02902	6.5
97.06537	6.5
97.10197	25.0
105.07053	33.0
107.08607	32.5
109.06522	12.6
109.10149	16.6
111.08026	5.6
117.07014	22.6
119.08577	22.0
121.06528	7.2
121.10153	21.4
123.08080	7.0
125.09623	25.6
128.06241	5.5
129.07042	25.7
131.08598	26.3
133.10181	27.8
135.11725	12.2
137.05977	36.0
137.09608	6.6
141.07008	6.9
143.08615	32.7
145.10152	28.7
147.11656	15.6
148.91464	4.9
155.08580	19.0
157.10150	24.2
159.11650	23.5
161.13322	6.3
169.10129	16.5
171.11699	20.5
173.09618	6.0
173.13274	11.9
176.32060	4.8
183.11690	18.3
185.13255	16.3
189.11247	10.1
195.11691	9.0
197.13287	11.9
199.14783	5.3
209.13232	6.9
213.16284	13.2
213.75276	5.5
221.13298	4.9
227.18024	28.5
227.87297	5.1
251.17982	100.0
269.19000	17.7
275.20166	8.7
285.10245	6.3
331.15952	6.0
349.16922	15.4
367.18073	6.2
377.28482	8.2
385.31039	6.3
395.29498	53.7
396.29660	7.4
413.21860	7.8
413.30573	88.1
414.30731	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01872	1.9
57.02242	1.3
57.03428	3.0
61.02920	2.4
67.05487	2.4
69.03439	11.3
69.07062	2.8
69.48861	12.0
70.06595	1.4
71.04997	3.5
73.02924	2.3
74.55255	1.2
79.05494	2.1
81.03425	12.7
81.07043	3.6
83.04977	1.4
85.02908	66.6
86.09720	1.8
91.05470	4.0
93.07038	1.7
97.02897	17.0
97.06538	8.4
99.04455	39.8
103.03945	84.4
105.07041	2.6
107.08572	3.0
109.02868	17.3
109.10154	3.0
120.08097	2.4
125.05869	1.3
127.03920	100.0
133.10153	2.5
137.06018	3.7
145.04961	55.5
145.10120	1.3
145.50665	1.2
163.03915	2.0
163.06027	50.3
164.07091	1.5
169.05067	1.8
185.97139	1.2
187.06032	5.4
205.07092	3.8
215.10606	1.9
233.11766	2.0
271.08188	7.6
271.15344	6.6
289.09140	7.9
299.09122	2.6
307.10196	11.6
318.16846	2.4
351.12213	1.9
377.17929	2.4
393.25858	1.5
394.22235	2.0
412.17825	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.96555	2.4
58.20576	1.1
61.02949	1.3
67.05492	1.7
68.71680	1.4
69.03416	3.4
69.07065	1.6
69.40601	2.7
69.41019	9.8
70.06598	3.4
72.08146	1.5
74.06087	3.4
79.05483	1.6
81.03413	1.6
81.07075	1.5
83.04967	2.4
84.04486	1.6
85.02888	6.7
85.90960	1.3
86.09711	2.0
91.05475	1.7
93.71066	1.2
95.04996	2.2
97.02890	2.6
98.97591	2.9
102.05520	1.4
105.07033	1.7
107.08570	2.4
111.04464	2.3
116.98615	1.7
117.03320	1.3
120.06565	8.4
121.06528	1.4
123.04359	1.4
125.00634	1.1
127.03928	4.2
133.10115	1.5
135.04434	2.2
136.06183	100.0
137.04582	2.5
145.02834	3.4
145.05003	1.7
150.05472	2.0
152.07108	2.4
162.04114	61.5
164.06995	1.4
177.00618	1.9
177.05473	4.5
237.02786	1.3
238.98618	1.4
251.09100	2.2
252.97098	1.3
268.10504	1.6
275.10928	1.7
281.09927	58.3
282.10364	1.6
327.35147	1.4
413.14566	3.3
413.21005	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	411.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12383	0.5
55.05512	0.5
56.76735	0.4
56.96563	0.5
57.03439	0.5
61.39542	0.4
67.05514	1.2
68.47427	0.4
69.03436	2.4
69.07070	1.0
70.06604	2.4
70.25076	0.4
70.50210	0.3
71.04993	1.1
72.08137	0.4
79.05498	0.5
81.03429	1.1
83.04980	0.7
83.06145	0.6
83.08625	0.4
84.08168	0.8
85.02906	4.6
86.06153	0.4
86.09715	0.6
87.00824	0.7
91.05486	0.7
93.07030	0.7
95.04966	0.5
97.02919	1.2
97.06563	0.6
98.20692	0.6
98.97644	0.4
99.04453	0.7
100.71037	0.4
103.03966	0.4
105.01817	0.7
105.07063	1.4
107.04991	0.5
107.08629	1.0
108.08082	0.5
109.02903	1.5
109.06571	0.6
109.10178	1.6
111.04452	0.5
116.07074	0.6
119.04958	0.5
119.08618	1.5
121.06530	0.4
121.10140	0.5
123.04404	0.7
125.09622	0.7
127.03950	1.7
127.11163	2.4
133.10143	0.8
134.99644	0.4
135.04411	0.7
137.06007	1.0
139.03912	0.5
141.21829	0.4
145.04953	0.5
145.12245	0.5
146.06084	0.6
147.04475	0.9
147.11679	0.6
149.09689	0.4
151.03860	0.6
159.11632	0.7
161.02951	0.8
161.09682	0.6
162.05537	0.5
163.04013	0.8
163.06018	0.5
163.07463	0.4
163.11272	0.6
163.13351	0.9
167.52425	0.5
171.11688	0.4
174.01691	0.4
177.05486	0.6
203.05278	6.9
222.89624	0.4
231.09969	0.6
231.13701	1.5
233.10181	0.7
245.06459	0.9
289.05280	2.1
290.05524	0.5
291.10825	0.4
291.13882	0.6
309.12039	0.8
353.15689	8.7
354.16248	0.6
411.11505	7.4
411.20065	100.0
412.12000	3.1
412.20422	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
57.03429	2.3
58.56538	0.7
61.02917	1.7
61.40459	0.6
67.05493	1.5
69.03085	0.9
69.03436	15.1
69.54556	6.7
70.06567	1.1
71.04996	4.5
79.05491	4.7
81.03420	27.9
81.07052	2.2
82.58867	0.7
83.04961	0.8
85.02906	41.0
86.09706	1.1
91.05480	1.4
93.07048	1.5
95.04953	1.2
95.08573	0.8
97.02873	3.5
97.06519	0.9
99.04459	23.8
103.03945	44.8
103.05447	2.6
104.10705	1.0
105.07032	35.5
107.04952	1.3
107.08597	1.4
109.02882	22.7
119.08585	1.2
123.04415	0.9
127.03920	100.0
133.06482	2.5
135.04448	1.4
143.08575	1.1
145.04967	14.4
145.10086	0.9
147.04369	1.8
161.05896	0.8
163.03947	3.1
163.06030	2.6
163.07422	0.7
171.08099	0.7
178.08272	0.7
184.07315	0.8
187.06078	8.0
189.09091	0.8
201.76587	0.7
240.06567	0.9
249.11070	0.9
253.06982	3.9
271.08212	3.2
303.17758	1.2
335.20389	1.2
411.15469	1.5
411.20233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.4
57.06833	2.2
57.07083	35.7
57.78661	1.6
59.04994	1.9
61.31350	1.6
63.10184	1.8
67.05453	2.7
69.07065	4.3
71.08636	25.1
71.58678	2.0
73.06540	4.2
79.05483	1.9
81.07046	2.4
83.08612	3.1
85.10182	22.4
89.06036	100.0
93.07024	4.2
95.04945	3.0
95.08551	1.7
97.10175	3.5
98.25048	1.7
99.11739	3.0
105.07027	7.7
107.07064	3.7
107.08612	3.5
109.10113	3.1
119.08573	6.6
120.08886	2.7
121.10175	2.8
130.08659	4.8
131.08589	2.6
133.08612	47.3
133.10112	2.4
145.10065	2.7
147.11681	2.8
151.09668	3.7
155.17918	3.3
161.39421	2.1
177.11206	14.7
188.42496	2.0
221.15405	3.3
222.15562	2.3
239.14914	35.6
243.23137	5.5
345.66748	2.1
392.17477	2.5
393.32129	44.7
410.27780	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	411.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89629	5.7
70.06610	1.3
94.93020	1.8
112.89619	11.9
114.89330	4.0
136.80251	1.0
140.55106	0.9
145.07655	2.1
174.00241	1.0
185.29295	1.0
230.92377	1.2
411.08987	100.0
412.09271	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	410.2537
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
53.03933	2.5
55.01872	4.3
55.05509	8.3
56.96568	1.9
57.78059	1.8
60.80914	1.8
61.93180	1.9
67.05511	14.5
69.03429	4.5
69.07075	4.4
69.89409	8.8
70.06582	7.7
71.04995	4.0
71.08641	2.2
79.05482	20.8
80.17737	1.9
80.90453	1.9
81.03409	17.7
81.07066	15.3
83.04991	4.8
83.08617	8.1
85.02897	2.7
85.06542	4.2
86.09695	3.3
88.07625	8.2
91.05470	27.4
93.07040	17.2
95.04969	7.1
95.08603	5.1
97.02872	2.3
97.06537	5.5
98.09679	2.9
98.21422	2.2
99.08064	2.7
102.09213	4.4
103.05461	3.1
104.10765	2.1
105.07037	14.8
107.04951	5.8
107.08599	20.0
108.08896	1.8
109.02872	3.4
109.06531	4.6
109.10166	6.3
111.08080	4.9
115.05450	1.9
117.07014	3.5
119.04941	6.7
119.08588	5.1
121.06495	4.8
121.10136	11.2
123.04453	5.3
125.09611	2.1
127.03907	3.3
129.07039	3.5
131.08582	8.7
133.06520	10.4
133.10115	9.6
135.04413	9.4
135.08054	3.0
137.05966	41.5
145.06500	3.9
147.04390	15.3
147.08014	5.3
147.11728	4.4
149.02345	17.6
149.06023	5.5
149.09612	11.0
157.06544	3.4
157.10146	5.5
159.08112	3.5
161.05978	28.4
161.09705	3.0
163.03905	4.2
163.07512	4.5
164.07053	2.8
169.10133	2.3
171.08095	3.4
173.05994	7.3
173.11880	1.9
175.07527	9.5
175.11221	7.9
183.08130	2.2
184.07364	13.7
187.07547	16.6
189.09138	11.7
191.53606	2.0
193.04961	15.9
193.12253	16.5
199.07593	3.3
200.20064	18.1
201.09146	8.8
215.10640	3.5
217.08745	3.7
225.14905	5.6
227.10658	2.0
237.07571	11.0
257.15323	2.5
274.08679	6.8
285.10114	3.4
285.14804	13.7
299.16571	5.1
311.16412	6.3
315.73541	1.8
317.17493	13.4
321.83850	2.1
324.11246	3.2
329.17401	5.0
331.18994	3.7
334.20099	33.7
343.18979	17.6
360.21368	3.4
361.20050	9.4
375.21646	8.3
378.22736	19.2
392.24326	100.0
393.24683	7.3
410.13629	10.5
410.25299	41.6
411.25574	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05515	8.7
55.44931	1.0
56.46318	1.2
56.96560	1.4
57.03427	2.1
67.05503	17.0
69.03418	2.9
69.07072	5.1
71.04986	3.2
71.11005	2.5
75.52769	1.2
77.03918	1.2
79.05062	2.1
79.05493	27.4
81.02980	1.6
81.03422	20.9
81.07060	26.1
83.04971	4.0
83.08620	9.4
85.02908	1.9
85.06532	4.8
91.05481	36.5
93.07049	21.3
95.04961	12.0
95.08608	8.3
97.02891	1.5
97.06514	4.7
97.10155	3.1
99.08080	1.4
100.11242	4.0
103.05442	1.4
105.06377	1.9
105.07030	21.5
107.04953	8.5
107.08595	30.7
109.06518	5.6
109.10149	4.9
110.86612	1.1
111.04443	1.0
111.08071	4.4
112.87334	1.1
115.05419	2.0
115.07597	1.1
117.07000	3.8
119.04922	10.7
119.08590	10.0
121.06515	4.6
121.10144	16.9
122.06017	2.0
123.04423	7.1
123.08083	3.9
125.09573	1.5
127.03864	1.3
127.28103	1.0
128.06244	1.6
129.06978	7.1
131.04919	3.2
131.08556	13.5
133.06496	11.9
133.10098	9.7
135.04419	16.3
135.08017	1.9
137.05980	49.4
137.09523	1.2
143.08531	1.3
145.06480	3.4
145.10127	2.7
147.04411	24.6
147.08020	5.5
147.11691	9.5
148.04941	1.3
149.05989	8.8
149.09612	26.8
150.10017	1.6
151.07661	1.1
157.06454	3.4
157.10112	7.5
159.03015	1.2
159.08076	3.3
161.05980	49.9
161.09570	1.4
162.06343	2.5
163.03976	1.8
163.07530	5.1
164.06990	2.0
165.09103	1.9
165.12738	1.2
169.10153	1.2
171.08046	3.5
173.05994	10.8
173.09656	1.8
175.07559	23.1
175.11145	9.5
176.07948	1.3
177.09103	1.6
182.15506	1.5
183.08051	2.5
185.09485	1.5
187.07545	22.9
187.11079	1.3
188.08299	1.5
189.05466	1.7
189.09093	18.0
193.12244	19.7
199.07513	4.6
199.49138	1.1
201.09131	9.2
203.10637	3.7
203.12491	1.6
207.13759	1.8
211.11192	1.4
213.09160	2.5
213.16388	2.0
215.10663	3.0
219.10240	1.9
225.12906	1.5
225.14816	7.0
243.13760	2.7
249.12613	2.1
257.15289	5.2
267.13864	6.0
285.14886	26.4
286.15195	1.4
311.16400	11.8
317.17480	45.3
318.17816	2.4
329.17450	11.3
334.20135	60.4
335.20462	5.0
343.19012	24.0
360.21588	4.1
361.20068	18.3
362.20227	1.5
375.21674	8.6
378.22736	25.0
379.23001	1.5
392.24313	100.0
393.24350	6.0
410.25363	27.5
411.25168	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01889	1.9
56.96564	1.6
57.03433	3.1
59.56702	1.1
61.02929	3.6
61.27438	1.2
67.05500	1.6
69.03432	14.0
69.07073	11.9
70.06580	1.3
71.04992	6.6
71.06954	1.2
71.48520	2.2
72.08150	1.4
73.02911	3.8
76.51269	1.1
79.05489	2.0
81.03419	12.7
81.07047	1.4
83.08627	1.3
85.02913	74.3
86.03235	1.2
86.09722	1.2
91.05499	2.9
93.07056	1.6
95.04952	2.5
95.08611	1.5
97.02899	20.6
97.06525	2.0
98.03271	1.5
99.04465	33.6
103.03951	96.4
105.01866	1.4
105.07041	4.2
107.04962	2.6
109.02879	15.9
109.06557	2.2
109.08498	1.3
111.04430	1.4
115.03910	1.5
117.06949	1.5
119.08665	1.5
120.08113	1.4
123.08057	1.2
127.03925	100.0
127.11216	8.9
128.04218	1.7
131.04892	1.3
135.04465	1.9
135.08145	1.7
135.17236	1.2
137.06007	1.5
145.04967	60.9
147.04424	2.1
147.08052	1.9
153.09085	2.1
161.79802	1.3
163.03859	3.8
163.06030	79.2
164.06372	1.3
165.09169	1.5
169.04924	1.6
177.09113	1.9
187.06042	3.5
195.10164	3.5
205.07123	5.9
212.66827	1.4
239.83853	1.2
252.75319	1.2
253.07228	2.0
255.12288	2.0
271.08133	8.5
289.09143	14.2
307.10226	24.9
313.09561	1.3
343.86288	1.4
365.15707	3.0
405.59830	1.3
410.18054	13.8
410.22064	1.3
411.19794	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11283	6.3
55.05518	16.7
58.73363	5.1
59.55220	5.6
60.48598	5.6
66.94018	6.5
67.05495	26.6
69.07059	21.0
70.76608	14.7
71.04999	15.1
79.05486	20.1
81.07061	99.6
83.08633	11.2
91.05482	19.0
93.07049	95.8
95.04993	7.7
95.08614	100.0
97.10162	10.4
105.07035	50.3
107.08598	55.1
109.10162	38.1
117.07001	12.2
119.08588	80.4
121.10152	65.1
123.11679	30.0
131.08560	17.7
133.10127	24.1
135.11690	35.6
137.09592	7.9
137.13307	8.2
139.58392	6.1
145.10120	24.5
147.11697	25.8
149.13275	63.6
159.11697	34.5
161.13258	30.4
163.14835	25.4
171.11746	9.9
173.13330	16.9
175.14825	17.4
177.16425	7.7
185.13176	7.3
186.19258	6.6
187.14793	13.8
189.16412	19.1
191.17982	6.7
199.14864	7.4
201.16400	22.5
203.17969	13.0
213.16266	10.7
215.17915	16.6
217.19534	21.5
227.17926	9.7
229.19739	8.0
231.21144	13.3
241.19569	7.2
243.21228	7.5
252.03783	6.5
257.22617	10.5
259.24261	9.0
300.53397	6.1
309.00455	8.0
351.30377	9.8
391.33609	20.2
409.18448	9.0
409.34668	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.05510	24.4
57.07071	8.3
59.05006	4.1
65.03939	3.0
67.05502	22.8
69.03428	7.6
69.07067	12.2
69.30123	16.0
69.30555	18.2
79.05503	24.3
81.07056	39.2
83.04987	3.9
85.06506	4.4
85.10185	4.3
91.05480	37.4
93.07042	50.7
95.04969	53.3
95.08607	34.9
97.06522	10.6
105.07027	100.0
107.08604	33.7
109.06526	16.0
109.10165	10.7
111.08139	3.5
116.06241	4.1
117.07020	15.5
119.04964	3.8
119.08574	63.3
121.06542	18.6
121.10146	20.6
123.08080	21.0
123.71761	3.2
128.06270	4.5
129.07007	12.4
130.07819	4.8
131.08566	28.1
133.06482	4.8
133.10123	25.9
135.08076	14.8
135.11728	6.6
137.09627	11.3
141.06989	6.6
142.07814	18.0
143.08591	21.0
144.09183	4.2
145.10129	43.3
147.08037	18.2
147.11679	38.4
149.09615	11.9
151.07539	26.1
155.08614	10.7
156.09389	8.4
157.10129	28.6
159.08096	8.4
159.11714	14.6
160.57532	4.0
161.09657	9.8
161.13248	3.7
163.11269	5.7
165.09116	32.6
166.07903	3.3
168.09309	4.5
169.10170	13.6
171.11725	16.8
173.09535	6.1
173.13286	11.1
175.11174	25.2
181.10178	5.5
181.12158	4.9
183.11679	14.2
185.13304	9.6
187.11124	5.0
189.12814	9.6
196.12415	4.0
197.13257	4.9
201.12798	13.3
203.14349	13.9
207.13773	8.4
209.13306	4.2
209.15329	5.0
211.14841	9.2
219.13762	4.7
221.13284	4.3
221.15358	75.3
225.12799	3.6
225.16302	4.8
229.15857	8.9
234.16141	12.3
286.19278	5.0
287.20108	7.2
329.21124	6.2
358.22198	3.1
391.26138	6.8
409.27414	85.2
409.33011	5.7
410.27710	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.05517	15.9
57.07061	9.9
67.05489	17.0
69.03419	9.2
69.07052	8.9
71.04995	4.9
79.05475	25.8
81.06637	3.8
81.07062	33.3
83.04988	4.6
83.08633	3.8
86.18237	2.7
91.05485	33.2
93.07039	45.3
95.04967	54.6
95.08596	30.5
97.04988	3.4
97.06534	8.4
98.20703	6.7
103.05460	4.2
105.07028	100.0
107.08595	25.1
109.06527	12.5
109.10130	9.2
111.08105	3.9
117.07001	14.7
119.07784	5.7
119.08583	65.4
121.06515	17.0
121.10164	14.9
123.08060	18.0
128.06218	7.6
129.06984	9.7
130.07806	6.1
131.08580	21.4
133.06494	8.1
133.10104	20.9
135.08064	13.3
135.11693	7.5
137.05936	3.4
137.09601	12.6
142.07793	11.8
143.08537	14.5
144.09383	4.9
145.06528	3.4
145.10121	36.5
147.08051	13.5
147.11684	39.7
149.09630	12.6
151.07568	18.0
155.08559	7.5
156.09314	5.3
157.10115	21.1
159.08066	6.1
159.11684	9.3
161.09637	7.0
161.13222	6.1
163.11217	5.3
165.09096	27.4
169.10072	7.5
170.10915	3.7
171.11691	12.9
173.09656	6.6
173.13216	7.4
175.11194	40.0
177.09116	4.0
181.10049	6.2
183.11682	9.3
185.13260	6.2
187.11131	4.3
187.14828	5.3
187.93015	3.7
189.12669	6.5
195.11703	5.5
201.12769	8.2
203.14348	10.4
207.13744	6.2
209.13293	3.7
209.15392	4.6
211.14964	6.6
215.14265	3.2
221.13406	3.1
221.15358	74.1
229.16002	4.2
233.15318	4.6
234.16127	19.7
239.14268	3.4
253.16057	3.4
287.20035	3.5
300.20779	8.4
329.20950	3.7
349.80457	3.1
391.26169	6.1
409.27335	56.4
410.27493	3.8
429.48318	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03960	3.6
55.01859	2.4
55.05518	16.7
56.56380	1.7
57.07072	7.8
59.04998	4.5
67.05509	26.1
68.15296	2.0
69.03430	7.8
69.07054	6.9
69.30296	21.6
71.05018	3.4
77.53900	1.8
79.05493	21.2
81.07061	42.3
83.04978	4.5
85.06541	3.7
85.29321	1.9
91.05487	36.8
93.07054	58.2
95.04368	3.6
95.04969	56.4
95.08615	40.6
97.06532	14.1
98.21575	2.8
103.05467	4.1
104.06321	2.1
105.07038	91.4
106.07357	2.6
107.04931	3.3
107.08607	30.8
109.06509	18.2
109.10142	11.4
111.08057	3.0
115.05463	3.5
117.07016	18.5
119.08585	72.6
121.06535	22.4
121.10152	22.4
123.08076	24.9
128.06241	5.3
129.07010	15.2
130.07802	3.6
131.08577	30.6
133.06490	5.8
133.10153	20.8
135.08072	16.8
135.11726	4.3
137.06036	3.2
137.09647	9.5
141.06984	4.2
142.07803	17.3
143.08557	23.9
144.09302	4.2
145.06541	4.8
145.10132	47.1
146.07362	2.9
147.08057	18.8
147.11713	38.1
149.09619	12.8
151.07549	28.5
153.06992	3.9
155.08595	11.4
156.09378	7.5
157.10139	27.1
159.08075	7.7
159.11703	15.3
161.09631	11.9
161.13248	4.9
163.11188	7.7
165.07045	3.7
165.09135	37.2
166.07959	2.2
167.08638	2.4
168.09364	5.6
169.10120	16.8
171.11679	14.7
173.09686	4.7
173.13277	11.2
175.11186	32.0
175.14778	2.3
177.09131	6.1
178.07823	2.4
179.08554	4.0
181.10149	5.8
181.12241	5.9
182.10851	3.0
183.11714	17.0
185.09628	2.9
185.13306	6.1
187.11194	5.9
189.12784	9.3
191.10815	2.3
191.14374	5.5
193.10126	3.0
194.10974	2.6
195.11713	6.8
196.12471	4.3
197.13280	5.6
199.11234	4.4
199.14917	3.9
201.12708	11.5
201.16362	3.2
203.14359	16.2
206.11006	2.5
207.11920	3.9
207.13843	9.8
209.13445	4.6
209.15448	7.2
211.11336	2.3
211.14850	9.9
215.14339	2.5
219.13800	5.3
221.15379	95.3
222.15828	2.6
223.14761	4.4
229.15944	7.1
231.13802	3.0
233.15488	5.8
234.16272	15.0
253.15797	4.3
271.16956	2.8
277.19626	2.5
281.19299	2.5
286.19296	7.6
287.20013	11.2
300.20822	5.9
312.20816	2.3
313.21851	2.2
317.21115	2.4
329.21121	5.0
353.20856	2.1
373.25208	2.5
391.21277	3.1
391.26233	11.6
409.27408	100.0
410.27722	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	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03923	6.0
54.64737	1.8
55.01867	2.5
55.05511	19.1
55.12929	1.7
57.07070	8.1
59.05005	2.1
65.03944	2.3
67.05509	20.8
69.03418	6.3
69.07067	8.5
79.05496	21.9
81.03403	2.1
81.07056	43.2
83.04962	4.2
83.08618	3.6
85.06536	5.0
91.04993	1.5
91.05483	40.7
93.07045	52.2
95.04973	56.5
95.08601	29.6
95.64091	1.9
96.05252	2.1
97.06546	9.5
98.21571	6.0
103.05460	2.8
105.07030	100.0
107.04928	2.3
107.08592	28.7
109.06543	16.4
109.10143	8.9
111.08074	3.7
113.09632	1.9
115.05455	2.4
117.06999	16.2
119.04890	2.2
119.08580	59.6
120.08904	2.8
121.06515	21.3
121.10159	20.7
123.08060	18.8
128.06218	7.1
129.07024	10.5
130.07779	5.7
131.08569	27.2
132.09337	2.4
133.06433	4.9
133.10143	24.2
135.08054	16.1
135.11726	4.2
137.09599	9.3
141.06996	4.4
142.07802	15.4
143.08554	21.7
144.09352	6.5
145.06483	3.8
145.10133	44.6
145.11261	2.3
146.10764	2.8
147.08060	19.3
147.11691	39.5
148.11926	2.3
149.09641	10.7
151.07561	19.0
155.08548	9.0
156.09349	7.0
157.10126	28.6
158.10928	3.4
159.08080	6.9
159.11702	15.7
161.09601	12.7
161.13283	4.9
163.11168	2.8
165.09119	30.7
167.08559	3.8
168.09329	4.8
169.10129	12.5
170.10945	3.9
171.08171	2.2
171.11676	12.0
173.09625	5.9
173.13264	9.8
175.11182	30.6
177.09167	3.8
179.08560	3.6
180.09308	2.5
181.10123	6.0
181.12244	2.7
182.10892	5.1
183.11708	11.3
185.09659	3.8
185.13300	7.3
187.11223	5.9
189.12695	6.7
191.14427	2.8
193.10172	5.9
194.10803	2.3
195.11716	7.4
196.12509	4.3
197.13257	6.0
199.11200	3.8
199.14815	3.3
201.12764	5.9
201.16370	4.6
203.14320	15.7
207.11948	2.0
207.13733	9.2
209.13272	6.2
209.15405	6.5
211.10995	2.4
211.14854	8.4
213.12721	4.7
215.14487	2.0
219.13742	3.3
221.13396	3.1
221.15369	75.2
222.15784	3.7
223.14839	2.7
225.16437	2.3
227.13950	2.0
229.15894	5.3
231.13823	2.9
233.15469	4.8
234.16211	16.2
241.15778	2.6
253.15956	4.9
271.17126	2.1
286.19186	4.1
287.20047	8.7
291.17438	2.4
300.20798	3.5
304.08304	2.0
310.22449	2.2
329.21259	6.7
335.19968	2.5
391.26413	7.9
409.13281	10.5
409.27423	64.1
410.13794	4.4
410.27774	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
57.03445	0.6
67.01871	1.2
67.97067	0.4
68.99797	1.3
69.03442	1.0
70.95313	1.0
71.05008	0.7
79.05515	1.4
81.03419	8.7
81.03855	0.7
81.07079	1.0
83.04952	0.5
85.02922	0.7
89.03913	6.1
91.05491	1.3
93.07059	0.5
95.05000	1.1
95.08616	0.8
97.02908	0.5
97.06537	1.0
97.80466	0.4
99.04457	7.8
105.07034	0.7
107.04988	2.1
107.08596	0.5
109.02887	8.1
117.03381	7.3
119.04951	1.1
119.08637	0.5
121.02873	0.5
121.10125	0.5
127.03920	7.9
135.04422	18.6
137.05992	0.5
145.02850	12.1
145.03995	0.6
147.04408	5.8
163.03911	100.0
164.04276	1.7
169.04970	58.7
170.05283	0.6
180.72440	0.4
184.07407	0.5
186.05516	0.6
259.07465	0.5
271.06039	2.3
289.07141	2.1
292.05066	1.0
322.06033	0.7
331.08020	1.5
409.12744	3.8
409.26248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76305	1.0
52.89422	1.2
53.03942	4.5
55.01886	2.7
55.05263	1.6
55.05513	17.6
57.07076	9.2
59.04988	3.2
62.75060	1.0
65.03949	2.6
67.05508	22.6
69.03419	7.6
69.07076	8.6
69.28969	12.1
71.04980	1.8
71.10085	1.1
77.03966	1.5
79.05063	1.5
79.05497	23.4
81.03417	2.4
81.07063	40.1
83.04993	5.3
83.08606	3.0
85.06540	5.3
89.06032	2.3
91.05484	38.9
92.05791	1.1
93.07044	53.1
95.04971	60.1
95.08606	33.6
97.06530	13.4
98.21465	2.2
103.05466	3.3
105.07034	100.0
106.07334	2.6
107.04958	2.4
107.08595	27.2
109.06519	14.1
109.10170	13.8
111.08075	3.7
115.05448	3.2
116.06229	1.9
117.07017	14.5
119.04942	2.4
119.08582	69.7
120.08872	1.4
121.06508	20.7
121.10133	18.6
123.08069	20.5
123.11739	2.0
125.05997	2.5
125.09635	1.4
128.06206	7.1
129.07002	12.5
130.07835	6.5
131.08572	25.6
132.09264	2.3
133.06493	4.8
133.10132	23.7
135.08061	14.9
135.11671	5.6
137.05898	1.5
137.09604	9.4
139.11192	2.2
141.06963	6.4
142.07796	14.1
143.08559	20.9
144.09315	2.8
145.06470	3.1
145.10126	41.3
146.07343	1.3
146.10832	1.5
147.08066	17.5
147.11688	33.3
148.11969	1.4
149.09608	11.7
151.07545	25.4
153.07030	2.5
153.09122	2.9
154.07796	1.8
155.08530	9.1
155.10626	2.4
156.09334	7.3
157.10132	28.8
158.07283	2.2
158.10860	2.2
159.08037	7.0
159.11693	16.8
160.08833	2.1
161.09636	10.6
161.13278	5.5
163.11220	5.8
165.06985	2.5
165.09126	31.9
166.09297	1.5
167.08539	2.6
168.09341	6.9
169.10124	15.1
170.10905	3.9
171.11694	12.9
172.12186	1.2
173.09624	8.0
173.13292	8.3
174.10382	1.3
175.11197	26.6
175.14702	1.9
176.11507	1.2
177.09138	4.8
177.12753	1.5
178.09891	1.2
179.08629	2.1
180.09380	1.6
181.10188	5.5
181.12270	5.1
182.10928	3.1
183.11665	13.7
184.12300	1.2
185.09598	2.5
185.13266	8.3
187.11177	6.0
187.14870	3.9
189.12730	5.9
191.14331	4.0
193.10138	3.0
194.10918	1.7
195.11717	6.7
196.12436	1.5
197.13304	4.2
199.11188	2.6
199.14809	2.7
201.12747	8.7
201.16362	2.7
203.14307	12.5
207.11670	3.2
207.13835	11.9
208.12531	1.5
209.13260	5.0
209.15402	4.6
211.11211	1.9
211.14830	7.8
213.12770	2.4
213.16370	1.3
215.10632	1.7
215.14355	3.0
219.11829	1.6
219.13858	4.0
221.13399	3.4
221.15363	79.2
222.15881	2.2
223.14897	3.7
225.16409	2.8
226.13701	1.3
227.14468	2.0
229.12279	1.3
229.15900	7.9
231.13821	3.6
233.13211	1.6
233.15399	4.3
234.16138	12.1
235.14822	2.7
237.14687	1.7
239.14372	2.4
241.15981	1.9
247.16928	1.6
251.18033	1.6
253.15913	3.1
255.17404	1.5
269.18967	2.7
271.17065	1.6
286.19263	4.5
287.20129	9.2
293.64380	1.2
299.20148	2.6
300.20856	3.8
307.20471	1.5
312.21039	1.6
317.21338	1.5
329.21167	6.1
345.25568	1.5
353.21017	1.3
373.25311	2.3
391.20996	1.8
391.26270	9.1
409.27380	76.8
410.27777	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	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01862	1.7
55.05500	3.6
56.96566	1.3
57.03433	2.6
57.07069	1.3
59.05000	1.8
61.02919	1.9
67.05502	6.6
68.39272	0.7
68.53706	0.9
69.03448	4.2
69.07063	12.3
71.04993	6.6
71.18220	0.9
71.18557	1.4
72.08164	1.3
79.05482	4.0
81.03407	3.6
81.07058	11.2
81.54659	0.9
83.04994	2.5
83.08618	5.8
84.08101	1.1
85.02911	7.1
85.06534	3.8
86.09699	1.5
91.05498	4.9
93.07035	10.1
95.04960	3.2
95.08600	18.7
97.02901	3.2
97.06530	12.0
98.97564	1.0
99.04449	4.0
99.08115	1.3
102.09168	1.3
105.07037	7.6
106.07365	0.8
107.08598	12.4
109.02873	2.5
109.06512	7.7
109.10157	24.6
109.10909	1.4
111.04423	0.9
111.08045	1.7
111.11706	1.3
115.07553	5.8
119.08579	13.9
120.08129	1.4
121.06463	1.4
121.10137	7.7
122.06086	1.1
123.04417	1.8
123.08118	4.3
123.11704	14.4
125.09598	1.5
127.03908	2.0
127.11200	2.3
129.10245	2.1
131.08565	2.2
133.10130	25.5
135.11690	26.6
137.05957	3.3
137.09604	5.4
145.04970	1.6
145.10124	1.3
147.11714	3.4
149.13254	10.1
151.14856	0.9
153.12708	3.1
155.10658	1.3
157.10101	1.1
161.06000	1.2
163.07513	1.0
167.14343	0.9
175.14822	44.2
176.15114	1.8
177.05469	1.0
177.16412	3.1
178.08507	1.1
184.07355	2.1
184.83603	0.8
193.15881	44.8
194.16203	2.3
204.10143	1.7
206.11682	1.0
211.16927	100.0
212.17334	2.5
219.71768	0.9
229.14383	1.2
237.02747	1.0
247.07652	1.2
257.04233	1.3
261.87167	0.9
267.15930	1.1
275.06955	1.4
279.13251	0.9
291.04684	2.1
300.15912	2.7
301.21671	0.9
321.05869	1.3
332.18588	2.1
346.16409	4.7
364.17368	1.3
390.18909	2.1
393.10022	1.1
397.18680	0.9
408.12375	7.0
409.13303	1.5
409.18265	1.2
410.79163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17575	0.8
54.24193	0.8
55.05503	1.4
56.96576	1.1
61.02898	1.0
66.04703	0.9
67.05510	1.0
69.07086	1.0
71.56092	1.6
79.05503	1.2
81.03424	1.4
81.07053	1.9
91.05515	4.5
93.07075	1.0
95.08633	1.2
97.06541	1.1
105.07055	1.7
107.04985	4.1
107.08569	0.8
108.05723	1.7
109.02955	0.9
109.10138	1.2
117.07033	1.6
118.76431	0.9
119.04945	2.0
119.08611	1.0
119.75237	1.0
121.06491	2.1
131.04921	1.9
135.04431	1.8
136.05211	6.1
137.06012	5.0
145.06485	0.9
147.04430	3.8
147.08060	3.4
150.06767	1.0
151.07550	100.0
152.07898	3.0
160.08926	1.5
161.05991	1.3
161.09555	1.7
162.06770	1.3
163.07523	2.1
165.09134	7.9
176.08296	1.0
177.09062	6.8
179.10692	1.3
180.06583	1.8
184.07350	1.2
186.10342	0.9
188.08331	1.7
189.09134	3.6
191.10626	2.3
202.07971	1.0
202.09885	1.4
203.10716	2.7
217.12225	5.1
229.07513	1.5
258.06845	1.7
259.07455	2.6
263.05292	2.6
291.04752	6.5
311.76132	0.9
319.04218	1.9
321.05887	7.3
323.16293	1.2
338.56714	0.8
340.16696	12.5
355.19046	16.4
367.17902	3.3
373.20541	1.7
379.21417	1.1
385.19110	1.5
390.08102	1.8
393.09946	2.6
401.14966	1.0
408.12741	14.3
408.25336	3.8
409.12650	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	408.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78074	0.6
51.32232	0.6
55.05513	27.1
56.05027	1.7
58.99586	13.1
61.01147	0.9
61.89814	0.7
69.03422	1.2
70.30095	3.0
73.01129	1.2
75.02701	1.4
76.02237	8.4
76.03998	4.4
78.01796	1.6
79.05499	1.4
80.05015	1.0
81.03406	2.3
81.07043	2.5
83.06127	0.9
83.08622	41.1
84.04510	21.4
85.02917	0.8
86.09705	1.0
86.99058	12.5
88.02217	2.9
91.05496	1.5
93.07072	0.7
95.04996	0.9
96.08129	1.2
98.09676	0.9
99.05587	1.2
101.09615	1.5
102.05547	1.0
105.00101	0.9
105.01914	0.8
107.08591	1.4
115.05827	1.7
116.01685	54.2
124.07609	10.4
127.72298	0.7
129.06607	3.2
129.07365	2.1
130.05011	5.0
134.02705	0.8
137.06009	1.2
141.07350	0.7
142.03261	3.9
144.01155	28.8
145.06079	2.0
147.04330	0.8
153.06546	0.9
156.10335	1.1
158.08095	1.1
159.08401	39.6
160.08716	0.7
161.17516	0.7
162.02211	100.0
163.02559	1.5
163.03931	0.7
164.01717	0.8
170.02766	1.2
176.11024	5.7
179.04861	1.2
187.07883	1.5
193.12277	0.9
197.51860	0.7
204.10510	0.8
205.08971	1.0
244.10031	1.6
245.06093	0.9
246.07991	1.6
259.11160	1.5
261.10565	5.8
262.11108	57.8
263.11407	1.8
267.15973	3.7
279.13754	30.6
280.14124	0.9
333.14868	11.8
390.16983	1.4
408.18137	8.5
409.11154	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	408.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24697	0.5
69.03440	0.6
69.07058	0.7
70.50716	2.2
74.00671	0.7
79.05495	0.8
81.03419	0.7
81.07045	1.4
85.02908	0.8
86.09714	0.7
88.03991	5.1
91.05486	1.6
93.07024	0.8
95.08612	0.7
97.02902	0.9
97.06501	0.8
102.98536	0.9
105.07025	1.4
105.10175	0.5
107.08566	1.0
119.08607	0.9
120.01204	0.9
123.11709	0.6
127.03840	0.6
133.10074	0.6
137.05984	1.4
147.04428	2.0
147.11630	0.8
163.03908	1.1
176.07152	0.7
184.07344	1.6
191.08572	0.8
202.07819	3.6
203.08611	1.4
219.07751	0.7
227.08701	0.7
229.14357	1.1
231.08043	7.2
232.08957	0.6
233.09653	1.3
235.05769	1.9
242.07295	4.8
243.08073	2.5
245.04230	1.4
247.07680	4.7
255.08066	1.7
257.06107	4.9
258.06805	15.1
259.07535	22.4
260.08203	2.0
261.09116	1.1
263.05252	27.1
264.05563	1.4
270.06781	6.2
271.07635	3.9
273.03616	6.5
273.09088	0.9
274.04407	2.1
275.05206	4.6
279.04877	0.6
283.07516	3.0
286.06256	4.0
286.08966	0.8
287.07016	4.3
289.08792	10.4
290.03851	1.1
291.04742	100.0
292.05008	4.8
293.06348	1.4
300.16156	0.7
301.08643	5.2
303.04700	10.7
304.04932	0.7
317.06296	2.2
318.06030	0.7
319.04224	32.0
320.04590	1.9
321.05792	92.4
322.06042	4.8
331.04077	1.0
344.07373	4.9
345.05804	1.2
346.16473	2.3
362.08453	2.2
390.07935	25.6
391.06216	6.7
408.08960	46.7
409.09396	2.5
409.15945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72316	1.8
106.17787	0.8
115.78636	0.8
119.01904	5.4
137.02971	3.4
177.00964	13.7
178.01108	1.2
201.01068	1.1
217.04118	2.2
219.02020	25.5
220.02132	2.7
225.01106	1.6
242.03746	1.0
243.01933	7.2
259.00061	0.9
260.00027	1.2
261.03079	100.0
262.03223	7.0
277.00983	3.3
279.01306	0.9
283.00070	1.8
284.04745	5.8
301.01163	6.5
302.01004	1.9
303.00897	1.8
305.00525	0.9
324.02658	1.0
340.02417	1.0
367.02319	3.2
385.03204	17.1
386.03531	1.4
386.96393	1.1
403.04260	26.3
404.04395	2.1
408.04816	1.9
426.05670	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05508	17.2
55.19680	0.9
57.03446	1.0
57.07059	0.9
59.05002	1.1
61.96757	0.9
65.38441	0.8
67.05495	2.6
67.74825	0.9
69.03432	3.9
69.07066	1.7
69.58040	1.7
69.58453	4.2
79.05467	2.1
81.07058	3.7
83.04968	13.6
83.08619	13.0
85.02907	5.3
91.05462	1.5
93.07036	3.9
95.04955	2.2
95.08592	3.0
97.02908	0.9
97.06557	3.0
97.10179	2.6
98.20740	1.1
105.07042	2.8
107.08589	8.3
109.06511	2.1
109.10156	8.4
111.08093	3.5
113.09643	1.2
114.82592	0.9
117.06969	1.1
119.08585	3.4
121.10156	4.9
123.11734	5.9
125.09661	4.7
127.03992	1.0
131.08548	2.7
133.10136	5.4
135.08047	1.9
135.11707	2.2
137.05930	1.5
145.10109	1.6
147.11681	3.3
149.13278	3.1
151.11186	19.6
153.09120	1.3
158.10843	1.6
163.04881	1.1
163.14778	1.7
167.14308	23.4
173.13271	5.4
191.14313	8.9
209.15366	100.0
210.15662	3.6
227.16402	2.0
280.00009	0.8
363.28986	0.9
395.90369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0584
Annotation	2,2',6,6'-Tetranitro-4,4'-azoxytoluene
Peak:m/z	Relative Intensity
55.05495	0.5
59.14478	0.3
67.05507	0.4
70.92935	0.4
70.93254	0.6
81.03387	0.4
81.07048	0.6
91.05453	0.4
91.64165	0.3
93.07002	0.5
95.04898	0.4
95.08605	0.7
97.06492	0.4
102.98515	0.3
107.08591	0.4
121.05029	0.4
125.00001	0.3
184.07362	0.6
191.08562	0.9
202.07753	4.9
203.08516	0.4
218.07271	1.2
219.08057	1.0
229.06444	0.4
230.07225	1.0
231.08049	2.2
235.05801	2.4
242.07401	0.5
243.08057	0.7
244.08871	0.7
245.04166	1.9
245.09673	1.3
247.07571	8.3
248.08284	0.3
255.08075	1.1
256.18097	0.5
257.05975	6.9
258.06778	20.8
259.07556	7.8
263.05267	37.3
264.05557	1.4
270.06778	0.5
271.07654	2.2
273.03702	9.9
273.08948	1.9
274.04401	1.3
275.06860	0.5
284.08298	0.5
285.05569	0.4
286.06244	4.3
287.07504	3.8
289.09097	1.6
290.03946	1.2
291.04742	100.0
292.05042	2.8
299.04877	0.5
301.03052	0.7
301.08752	0.4
303.04672	4.6
315.04608	1.9
316.05362	0.5
317.06274	2.3
319.04236	29.2
320.04810	1.5
321.05896	0.6
327.04800	0.4
333.05814	5.7
343.04141	0.7
345.05786	2.6
345.22244	0.4
361.05289	4.2
363.06839	1.8
389.04819	0.5
406.24390	0.4
407.05847	95.9
408.06079	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
56.96553	1.2
57.03428	1.2
57.07081	1.1
58.06594	1.1
61.02924	1.7
67.05492	2.1
69.07066	2.3
69.13669	0.7
70.06587	4.3
70.84402	0.6
71.58510	1.2
72.08155	0.8
73.63817	0.6
73.91219	0.6
79.05480	2.5
81.03406	1.2
81.07037	3.0
82.57147	0.7
83.08625	1.0
84.08136	1.3
85.02888	1.4
86.09694	1.4
88.07632	1.2
91.05473	2.0
93.07055	3.4
95.04963	1.4
95.08601	2.8
97.02876	1.7
97.06549	1.3
101.02485	0.7
102.09153	0.9
105.07009	2.4
107.04971	1.2
107.08596	1.0
109.10181	1.0
118.08647	1.5
119.08583	1.3
121.10139	1.2
127.03905	0.9
131.08583	0.9
132.10197	1.0
133.10162	1.4
137.05974	2.6
144.74420	0.6
145.10085	0.9
149.13338	0.8
172.34427	0.7
201.79623	0.7
212.02824	0.7
217.07550	0.8
231.71953	0.7
247.08537	0.7
256.26416	0.8
257.26715	3.9
259.08392	1.9
267.08969	1.3
269.10394	1.4
285.10123	2.0
291.04773	2.0
295.15277	0.9
300.28967	1.5
301.29385	5.1
303.11111	0.9
321.06070	1.0
345.31879	3.3
347.15344	0.9
349.16666	1.5
350.11380	1.1
351.12262	3.3
361.10541	2.4
365.16171	1.1
367.17926	1.2
406.35245	1.2
407.12158	2.0
407.24045	100.0
407.35526	26.2
408.24542	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05507	10.0
57.03421	3.8
57.07068	2.3
57.47117	1.5
61.02916	1.8
67.05488	6.8
68.99775	2.2
69.03413	6.8
69.07057	9.4
70.06557	2.6
71.04997	8.2
71.56635	2.7
73.02902	1.7
77.79411	1.6
79.05470	6.9
81.03411	2.5
81.07022	9.4
83.04983	6.2
83.08625	3.9
85.02909	9.3
85.06560	3.5
91.03926	1.6
91.05467	9.2
93.07041	11.7
95.04947	3.7
95.08605	15.6
96.04488	2.0
97.02885	5.1
97.06510	4.1
98.97581	1.8
99.04463	1.9
103.05450	3.1
105.07011	10.3
107.04950	40.0
107.08595	38.8
108.04511	3.3
109.02853	5.0
109.06503	5.3
109.10155	22.1
111.08082	3.6
115.05429	1.9
117.07022	3.8
119.08569	8.9
120.97321	1.5
121.06525	2.2
121.10143	51.7
123.08035	4.2
123.11710	7.7
125.09646	7.1
127.03860	4.8
127.07552	3.1
127.32459	1.7
129.07010	2.4
131.04944	2.3
131.08578	7.4
133.06462	2.3
133.10117	15.4
135.08026	7.1
135.11685	21.5
137.05968	2.7
137.09587	9.5
137.13243	10.6
139.11174	6.5
141.06960	2.4
143.08545	2.0
144.07994	2.0
145.06485	4.9
145.10124	3.4
146.05978	2.4
147.04419	2.4
147.08089	1.6
147.11668	7.7
149.05963	5.6
149.09612	4.3
149.13252	10.7
151.03879	2.1
151.11240	3.1
153.09090	2.4
155.10651	2.1
157.06459	4.0
158.05972	2.3
158.10875	2.7
159.04381	3.6
163.14810	42.4
165.12758	8.9
167.07132	2.1
167.14291	2.9
172.07631	3.9
173.05974	7.2
173.13274	19.8
174.05466	3.7
175.03911	7.2
181.15846	2.0
185.05960	2.7
186.09081	2.9
189.05580	2.2
191.14305	34.3
193.05048	1.8
196.07614	2.6
197.08380	2.2
200.07082	5.9
201.05489	26.5
202.05800	3.2
209.15350	38.6
213.05489	11.3
214.05994	2.3
214.08525	2.7
215.07074	4.6
216.06586	4.3
224.07011	2.7
225.05545	3.2
226.08568	2.0
227.07137	2.5
228.06523	12.1
229.07274	2.4
230.08040	2.7
241.04900	4.3
242.05653	4.6
242.08133	15.3
243.08582	3.2
244.09708	7.6
252.06557	2.3
254.08054	2.8
255.06461	2.6
258.07642	5.3
270.07608	100.0
271.08173	10.7
272.09201	19.9
273.09509	2.9
282.07590	4.7
298.11758	1.7
300.08636	3.3
337.10574	2.3
349.10794	2.6
364.11603	2.2
378.13391	9.7
406.12814	61.3
406.20898	3.4
407.13333	9.6
424.13745	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29943	1.7
55.05508	16.2
56.96567	2.2
57.03422	2.9
57.07057	2.5
62.49540	1.7
67.05495	4.2
69.03429	4.7
69.07071	4.3
71.03632	3.5
71.04988	1.8
76.55457	1.8
79.05511	4.4
81.03419	2.9
81.07063	15.9
82.31886	1.7
83.04980	12.5
83.08627	15.0
84.72156	1.8
84.85325	1.8
85.02898	11.6
85.06519	2.0
91.05444	4.8
93.07041	7.6
95.04973	7.8
95.08594	7.7
97.02866	3.0
97.06526	8.7
97.10146	2.3
98.97598	5.0
105.07045	11.0
107.08589	16.6
109.06506	21.0
109.10159	19.3
111.08111	4.3
115.07548	3.4
119.08596	5.8
121.10153	21.1
123.08051	4.5
123.11710	7.7
125.09628	6.9
131.08585	7.8
133.10135	24.3
133.50549	2.1
135.08043	3.0
137.13152	2.1
145.10155	3.8
147.11674	10.5
149.13242	8.5
151.11162	19.3
153.09160	8.9
163.14830	5.0
164.76712	2.1
165.12746	3.8
167.14346	19.1
173.13263	16.7
175.14749	2.8
177.00710	2.2
191.14305	18.0
209.15373	100.0
210.15593	4.5
227.16431	13.0
270.84827	2.0
425.14874	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.52487	0.4
55.05509	1.4
56.96553	0.6
57.03436	0.9
61.02915	1.3
61.03397	0.5
61.60413	0.5
67.05487	2.0
69.03418	2.6
69.07054	1.2
70.06577	0.9
71.04974	1.1
71.58829	0.7
71.59219	0.5
79.05486	1.3
81.03407	1.2
81.07059	1.8
81.86022	0.5
83.04977	2.6
84.08160	0.6
85.02909	5.6
86.09704	0.9
87.04444	0.5
91.05482	1.3
93.07040	2.1
95.04976	1.0
95.08614	3.1
96.08163	0.5
96.27140	0.6
97.02901	2.0
97.06517	3.2
98.97564	0.5
99.04495	0.5
101.58643	0.5
103.05493	0.7
105.07018	1.5
107.04951	0.8
107.08570	1.7
108.08099	0.7
109.02877	0.7
109.06503	2.4
109.10126	0.7
110.09669	0.7
111.04468	1.1
111.08041	0.7
115.05463	0.5
116.98587	0.6
119.08571	1.7
120.08049	0.6
121.06477	1.4
121.10156	5.2
123.08064	100.0
124.05186	0.5
124.07568	1.3
124.08408	2.0
127.03936	1.2
131.04942	0.7
131.08540	0.5
133.10104	1.3
133.30162	0.6
134.99626	0.7
135.11664	0.9
137.05972	4.2
137.09622	1.6
138.06395	0.6
145.05054	0.6
145.10115	0.8
147.04443	0.7
147.11694	0.9
149.09615	2.5
151.03894	0.8
151.11172	3.6
152.07112	0.6
154.08636	0.8
155.08470	0.5
161.06003	0.6
161.13220	0.6
163.03920	0.7
163.07521	0.8
163.11221	1.3
164.07965	0.7
166.08627	1.4
167.07060	3.1
167.10674	2.3
168.07408	0.9
177.00598	0.6
181.12234	10.7
184.07397	0.6
189.12772	1.4
197.92401	0.6
207.13811	4.9
210.14870	1.0
220.06152	0.7
225.14838	19.8
226.15161	0.8
231.02864	1.1
269.15631	0.5
288.18011	0.7
317.14758	0.9
345.10706	0.7
373.10095	1.0
404.15991	0.9
404.24713	0.8
429.66913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01870	2.6
55.05509	1.9
56.05036	4.7
57.03431	4.8
57.19310	0.6
58.84617	0.6
58.99589	8.8
61.01133	0.7
67.05497	0.9
68.05026	1.3
69.03423	1.0
69.07064	1.6
70.02947	1.1
70.06577	1.3
70.54127	1.8
71.04992	1.6
73.01125	1.9
74.00654	1.7
76.01827	1.2
76.02231	16.2
76.03995	2.0
79.05499	3.5
80.05036	0.6
81.03387	0.9
81.05807	0.6
81.07059	13.3
83.04977	0.7
83.06113	1.7
84.04510	23.6
84.08170	1.3
85.01125	2.6
85.02888	3.3
85.06525	1.2
86.00654	3.0
86.99052	4.9
87.00813	0.7
87.02693	4.8
88.02225	1.7
91.05487	1.7
93.07045	1.5
95.04980	1.2
95.08605	3.2
97.06529	2.1
98.09702	10.2
99.08103	3.8
102.05537	4.7
105.07027	2.0
107.04876	0.8
107.08607	1.5
109.02905	1.2
110.09679	1.4
111.08086	0.8
112.03950	3.4
113.04227	6.1
115.05788	1.8
116.00881	1.1
116.01680	18.5
121.06506	1.2
121.10137	1.3
122.09692	1.2
123.08062	1.1
127.03901	1.5
127.05757	1.2
129.06602	2.6
130.05011	7.5
130.06837	4.0
130.08662	1.7
131.08575	6.3
131.87170	0.5
137.05971	2.5
139.05786	1.7
142.03212	1.5
144.01147	7.2
145.06042	0.7
145.10127	2.1
149.09677	2.8
156.08426	15.5
156.10197	10.6
157.06822	7.5
162.02209	17.7
163.11212	0.9
167.07068	1.3
170.02747	0.9
174.09506	11.6
176.35643	0.6
179.04848	7.2
188.03847	0.8
189.03476	0.8
191.10651	3.1
209.11731	9.6
210.11211	2.8
215.04857	0.7
216.06917	5.2
222.09378	0.6
227.12816	0.8
233.05893	1.9
259.11127	100.0
260.09286	1.1
260.11609	1.6
277.12204	1.5
285.12653	2.3
308.09106	1.3
313.12183	3.1
331.13226	5.3
336.68390	0.6
388.15320	1.8
389.13458	0.8
406.16394	4.7
419.34592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
57.03443	3.9
63.99250	0.4
65.03921	0.6
67.05517	0.5
68.99770	0.6
69.03438	1.2
69.07063	0.7
70.06608	0.6
70.99376	0.8
71.04993	1.2
72.08163	2.1
73.02914	1.2
75.04475	3.8
81.03414	1.1
81.07066	0.5
83.04984	0.6
84.08144	1.1
85.02906	6.1
85.06512	0.7
86.09695	0.8
89.74482	0.4
91.05482	100.0
92.05810	1.9
93.07042	1.0
94.56717	0.5
95.00765	0.4
95.01331	2.5
95.08599	2.9
97.02881	1.2
97.06544	0.6
97.80951	0.4
99.00771	0.7
105.01845	0.6
105.03383	2.8
109.02863	0.4
111.04395	0.5
113.02326	1.2
113.06044	0.7
119.08569	1.2
121.06487	0.7
121.10134	0.6
123.08035	0.8
124.07587	0.6
127.03917	1.6
127.07519	1.0
129.10281	1.0
131.03435	0.9
133.06474	0.5
134.01262	0.5
135.11639	0.6
136.07529	1.2
137.05991	9.1
141.01842	6.5
143.11813	0.8
145.04982	0.7
159.02895	1.2
161.13284	0.6
163.07523	0.6
167.07060	0.5
179.06995	1.2
189.12761	1.0
190.19548	0.4
193.08612	61.9
194.08952	0.9
197.08139	0.5
207.13806	1.2
211.09657	33.3
212.09882	0.5
324.74854	0.5
351.10611	1.2
369.11749	3.4
404.16174	4.2
404.22577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.1
56.96561	13.7
67.05512	3.7
69.03443	2.3
69.07080	3.5
69.85658	3.4
69.86063	8.7
71.06221	1.8
78.29610	1.9
79.05485	4.8
81.07040	5.6
91.05483	4.2
93.07038	2.2
95.04974	2.6
97.02888	1.9
97.06537	2.5
98.97581	35.6
107.04958	2.6
107.08565	2.5
109.10221	2.0
111.02966	2.1
111.08122	1.9
112.98130	1.9
116.98619	51.3
117.07049	2.7
121.10202	2.5
122.03646	3.2
132.05258	2.3
133.10109	3.5
134.99661	49.8
137.05983	52.6
138.06360	2.9
140.00232	3.8
150.60085	1.9
153.00696	11.2
158.01254	9.0
163.07553	4.7
167.07048	17.4
168.07414	11.7
168.08607	2.0
177.05460	3.9
178.09474	1.9
197.01210	3.9
226.11197	12.3
235.02766	39.6
238.01567	4.8
244.12196	10.8
253.03847	89.5
254.04343	2.4
269.17572	6.0
271.04965	6.8
276.05414	21.1
279.56931	1.9
329.08054	3.6
344.10394	2.1
344.15433	6.8
368.15714	3.7
372.09799	8.2
404.17456	100.0
405.17648	3.9
405.22403	28.4
415.35193	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
68.63128	0.4
69.43902	2.8
69.44317	0.9
78.04709	0.4
79.05495	0.5
86.92372	0.4
91.05485	2.4
93.07055	0.5
97.06586	0.6
105.03473	0.5
107.04934	3.1
108.05736	1.8
108.08126	0.4
109.06504	0.7
117.07014	0.6
119.08605	0.4
119.25650	0.4
121.06524	3.2
129.24518	0.4
133.06445	0.4
135.04428	1.2
135.05457	0.4
136.05225	1.9
137.05978	1.6
138.06331	0.9
145.06445	1.2
146.07265	2.7
146.43405	0.5
147.08055	0.6
149.05952	3.2
150.06757	0.4
151.07544	100.0
152.07861	1.6
158.84001	0.4
162.06775	1.3
163.07544	1.9
165.05505	1.0
165.09163	1.1
167.07062	1.8
168.07368	1.9
168.29765	0.4
177.09111	9.9
177.10643	0.6
178.05943	0.6
179.07028	2.3
183.02866	0.5
184.03250	0.8
188.08331	0.8
189.09125	1.3
191.07027	2.3
201.09050	0.7
203.10747	1.0
211.02499	0.5
215.10658	1.1
231.10097	0.5
245.09486	0.7
275.07108	0.5
278.12979	1.0
288.11465	2.4
289.12180	0.7
304.10919	0.6
305.11786	1.3
309.14795	2.4
319.13269	7.4
320.14035	1.8
328.09119	0.5
330.06961	0.5
331.07751	0.6
335.12677	0.7
337.07571	0.8
337.14252	5.7
351.15897	5.2
355.08536	0.6
359.07004	0.5
369.16977	22.7
370.17499	0.6
373.09070	0.6
374.09488	7.9
387.18063	11.7
389.11746	0.7
404.09903	0.4
404.14206	11.4
404.19675	0.9
405.14557	0.7
415.69702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1965
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01875	4.6
55.05506	7.9
56.96564	7.3
57.03420	5.7
61.02920	6.9
67.05506	10.5
69.03414	19.8
69.07066	5.6
70.06578	16.3
71.04958	4.6
71.58811	7.3
71.59229	7.7
71.66380	5.8
72.08154	28.3
79.05484	8.5
80.29453	3.7
81.03412	12.5
81.07036	9.8
83.04979	22.0
84.08114	7.1
85.02909	37.4
86.09703	32.7
89.03923	8.4
91.05479	25.0
93.07045	66.7
95.04950	17.8
95.08598	8.6
97.02882	9.8
97.06536	9.2
98.97575	9.6
99.04449	8.2
103.05457	5.0
105.07037	12.2
107.04955	10.6
107.08565	8.9
109.02856	10.0
109.06533	9.4
109.10180	4.9
111.04441	10.1
113.06002	6.1
116.98605	6.4
117.03346	5.7
117.07021	5.3
119.04953	6.7
119.08546	6.8
121.06503	100.0
121.10090	6.1
123.08115	5.8
127.03902	14.1
127.07562	9.2
129.01833	17.1
131.08507	5.9
134.99658	9.3
135.04367	5.5
135.08144	7.2
137.06024	11.3
139.07576	4.8
142.87054	4.3
145.04967	8.7
147.04367	4.9
147.08040	7.4
149.09581	5.9
151.03889	8.9
151.07478	6.1
152.07047	4.6
154.08606	4.8
159.11682	15.5
163.03900	35.1
163.11165	6.6
185.08034	6.9
187.11058	11.0
205.12265	62.3
207.06496	6.3
222.52055	4.4
223.13289	44.1
237.02742	5.8
241.07391	11.8
241.14354	10.8
259.08578	11.1
307.60803	5.0
403.13150	39.8
403.19482	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1754
Annotation	Tupichilignan A
Peak:m/z	Relative Intensity
53.03936	0.7
55.01882	1.0
55.05502	1.4
56.96559	1.1
57.03442	0.7
60.06708	0.4
65.03925	0.7
67.05506	3.4
69.03419	1.6
69.07045	1.0
71.04987	1.2
71.58558	0.8
71.73855	0.4
78.04701	1.9
79.05493	2.5
81.03408	1.9
81.07053	2.2
82.06577	0.7
83.05003	0.6
83.08610	1.7
84.04478	0.6
85.02903	1.9
86.84466	0.5
91.05482	3.6
93.07048	1.0
94.04162	1.6
94.05994	0.4
94.06553	2.6
95.04962	2.3
95.08601	1.7
96.05769	0.5
96.08093	0.6
97.02870	1.3
97.06520	1.4
99.04458	0.8
99.08113	0.5
100.11240	2.9
103.05466	5.1
105.07027	1.8
106.04183	1.2
107.04964	2.5
107.08591	1.5
109.02875	1.4
109.06528	1.6
109.10151	0.8
110.03696	0.5
110.09684	0.8
111.04433	0.8
115.05444	1.4
116.98647	0.5
117.07005	3.3
119.04918	1.4
119.08565	1.3
120.08095	1.1
121.06501	1.8
121.10172	0.9
122.03642	3.2
122.06039	6.3
123.04422	6.4
123.08071	0.6
124.05248	2.3
124.07575	1.2
127.03917	2.9
128.06285	0.7
129.01811	0.6
129.06932	2.4
131.04015	0.9
131.04930	12.2
133.02817	1.3
133.06477	1.1
133.10150	1.0
134.03653	0.8
134.99637	0.4
135.04428	0.8
135.11586	0.5
137.05977	45.6
138.06311	1.2
138.09116	2.1
143.04849	0.9
145.06474	5.5
147.04503	1.1
147.08093	0.6
147.11661	0.9
149.06006	2.2
151.03889	1.3
151.07535	1.2
152.04665	2.2
157.01389	0.7
157.06520	1.5
157.10143	0.6
157.29446	0.5
159.04381	1.4
161.05977	1.5
162.06754	0.6
163.03947	0.6
163.07533	21.0
164.07953	0.8
165.05492	1.1
167.07039	100.0
168.07344	3.0
171.07927	0.5
173.05991	1.8
175.03929	0.6
175.07529	2.6
177.05478	9.0
177.09094	6.8
178.05911	0.5
179.07129	2.7
181.05037	4.6
181.06490	1.4
182.15457	1.0
187.07507	1.4
189.09122	4.0
191.06979	1.3
193.08624	2.2
197.08054	1.3
201.09235	0.8
203.07056	1.0
204.10091	0.6
205.08609	1.5
207.06549	4.5
207.10144	3.1
209.08087	9.6
209.16461	1.4
210.14790	1.0
213.09079	0.8
217.08609	2.0
225.07507	1.9
226.19252	0.8
227.17525	0.6
231.10143	1.0
235.09668	1.2
249.11174	0.5
267.12015	0.8
331.25449	1.6
341.18539	1.4
359.19778	0.7
367.15424	6.6
385.16476	4.6
394.78467	0.7
399.10638	0.8
403.17828	1.0
403.22897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01866	5.0
55.05514	3.5
56.96561	2.5
57.03437	2.7
59.04996	2.1
61.02921	4.4
67.05506	5.7
69.03424	9.2
69.07063	3.3
69.67467	1.8
69.73938	4.8
69.74355	9.0
70.06588	5.8
72.08161	11.9
79.05489	7.1
81.03395	4.3
81.07053	2.6
83.04972	7.6
84.08157	2.3
85.02913	14.9
86.09727	10.6
87.00815	1.9
87.04457	2.2
87.82805	2.0
91.05492	10.6
91.65562	1.9
93.07051	18.9
95.04956	8.6
95.08604	3.3
97.02880	7.9
97.06516	4.0
98.97593	4.3
99.04476	3.5
103.05474	4.8
105.01859	2.9
105.07040	9.8
107.04954	5.9
107.08571	4.6
108.05712	2.4
109.02884	5.8
109.06489	2.9
109.10117	2.3
111.04442	4.9
115.05453	4.8
116.98601	3.2
117.07011	6.9
119.04901	3.3
119.08571	4.2
121.06521	27.1
123.04400	6.5
124.05194	2.8
125.05970	4.0
127.03928	9.9
127.07556	2.5
129.01836	5.7
131.04912	4.9
133.06543	9.6
135.04439	3.3
136.07550	2.0
137.05989	12.6
137.09593	3.4
138.09148	2.2
143.11813	3.2
145.04929	3.5
145.06383	2.0
147.04442	6.5
147.08038	7.0
149.09583	4.7
151.03871	4.8
151.07552	7.0
153.05489	27.1
153.06810	3.6
156.10138	4.4
156.13327	1.9
157.06439	3.5
159.08173	2.0
159.11722	4.5
161.05975	7.9
163.03897	4.8
163.07465	4.7
163.11122	2.2
165.06978	3.4
165.09125	2.8
167.07051	100.0
168.07355	3.4
173.05942	2.5
175.07568	3.4
175.10989	3.6
177.00755	2.4
177.05461	5.6
179.07062	4.1
179.10568	2.2
181.04942	2.3
181.06389	3.5
181.08618	8.4
185.07983	2.6
187.07556	5.8
189.09088	2.0
191.06996	15.2
192.07767	3.0
193.08617	37.8
193.10277	3.4
195.08043	2.9
201.12396	2.5
203.08762	2.0
205.08542	4.6
205.10359	2.9
205.12219	19.0
207.06505	5.2
207.08226	2.4
211.07471	4.1
213.09138	3.8
217.08656	4.2
219.01733	2.5
219.10229	2.7
221.09636	2.2
223.07527	3.1
223.13264	8.3
225.09209	4.2
231.10205	3.4
232.08838	2.1
233.09560	2.5
237.02852	4.7
237.09111	2.5
240.07751	2.4
243.10225	4.8
245.11711	3.9
249.09222	2.4
253.08559	3.4
254.09381	3.3
255.10214	2.9
265.08960	2.3
265.12155	3.1
267.10190	2.4
271.09756	3.2
273.11261	3.5
279.10358	3.1
281.11728	3.1
283.13150	3.8
285.11191	7.3
287.12802	2.9
293.11655	6.7
297.14944	2.3
299.12784	3.2
307.13290	4.7
307.60922	2.5
309.11218	2.3
311.12738	3.3
313.10635	2.6
315.16132	2.4
317.09067	2.9
317.13940	4.3
321.11353	2.5
325.14349	10.9
343.15466	8.1
353.13876	12.5
357.16959	2.7
359.14767	5.8
367.15390	8.2
371.14954	28.9
385.11273	2.0
385.16327	15.9
403.11960	3.8
403.18936	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	403.1753
Annotation	Hernanol
Peak:m/z	Relative Intensity
55.01856	0.7
55.05501	1.1
65.03953	1.2
67.05503	1.4
69.03422	1.2
70.06589	0.8
70.84912	1.5
70.85243	0.8
74.34244	0.6
78.04724	1.6
79.05489	2.6
81.03402	0.9
81.07043	1.3
85.02901	2.3
87.86494	0.6
91.05502	4.2
93.07040	1.1
94.04174	1.1
95.04951	1.8
95.08532	0.9
103.05459	7.3
105.07025	2.7
106.04175	1.2
107.04961	4.6
109.02874	1.0
109.06499	3.1
115.05428	1.6
117.07022	2.2
119.04924	1.3
121.06557	1.0
121.10128	0.8
121.33063	0.7
122.03664	4.9
123.04443	5.9
124.05199	1.5
127.03854	0.7
129.01865	0.7
129.07068	1.5
131.04922	17.3
133.02887	1.1
133.06470	2.2
133.10054	0.7
137.05980	55.1
138.06297	1.2
145.06488	3.7
147.04399	1.9
147.08011	0.8
151.03899	2.1
151.07529	1.3
152.04695	2.0
153.05453	1.3
155.07040	1.6
157.06555	1.0
161.05989	4.5
163.07542	31.3
165.05508	1.6
166.06163	0.7
167.07043	100.0
168.07365	1.9
173.05966	2.7
175.03818	0.6
175.07536	2.8
177.05437	2.4
177.09123	3.1
179.07085	3.4
181.04929	2.9
181.06371	0.7
181.08589	1.2
187.07535	1.1
189.09137	3.1
191.07141	1.1
193.08688	3.8
197.08093	2.7
201.09137	0.9
203.07069	1.4
203.10802	1.4
205.08556	4.0
207.06514	10.6
207.10146	2.9
209.08124	1.8
213.09053	1.4
217.08705	2.7
219.10165	0.7
225.07594	5.4
231.10226	0.9
233.11716	1.4
235.09645	2.1
367.15320	4.1
385.16574	2.1
385.21307	0.8
403.15570	2.4
403.21176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1754
Annotation	Hernanol
Peak:m/z	Relative Intensity
52.10808	0.4
55.01852	0.5
55.05504	0.7
62.64266	0.4
64.54973	0.4
65.03934	0.5
67.05507	1.2
71.55880	0.7
73.50462	0.4
75.00513	0.4
78.04704	1.8
79.05493	2.5
79.36273	0.4
81.03426	0.6
81.07034	1.4
89.03925	0.5
91.05490	3.9
93.07037	1.3
94.04189	0.9
95.04967	1.4
95.08636	0.5
97.02921	0.5
103.05472	6.1
105.07027	1.2
106.04188	1.0
107.04942	2.1
107.08590	0.7
109.02820	0.7
109.06523	1.1
115.05447	0.9
117.03340	0.5
117.07035	5.4
119.04942	1.6
119.08617	0.9
121.06506	3.2
121.10155	0.5
122.03628	2.5
122.06007	0.8
123.04430	5.7
124.05222	2.3
124.06014	0.4
129.01901	1.1
129.07028	0.8
131.04930	11.6
131.08607	0.6
133.02866	0.9
133.06288	0.6
134.03593	0.8
135.04475	0.8
135.08076	0.6
137.05986	34.4
138.06314	1.0
141.07050	0.6
143.04924	0.9
145.02887	0.6
145.06491	8.4
147.04413	1.5
149.05992	4.0
151.03918	0.9
152.04666	1.6
153.06999	1.0
157.06543	0.7
159.04405	1.7
159.05644	0.5
161.05986	0.7
162.06721	0.8
163.07555	19.7
165.05449	1.3
167.07051	100.0
168.07396	3.1
173.06036	0.6
174.06694	0.5
175.03931	1.4
175.07558	2.0
176.10695	1.3
177.05489	16.4
177.09113	11.0
178.06108	0.4
178.09448	0.5
179.07036	1.5
181.05017	0.6
181.06520	1.4
181.08524	0.6
187.07787	0.7
189.09128	1.8
191.07039	1.1
193.08630	1.7
195.14745	0.5
196.07332	0.8
197.08043	1.1
205.08635	1.9
205.10571	0.4
207.06512	3.4
207.10181	1.5
209.08107	13.4
213.09114	1.5
217.08583	2.3
219.10303	0.8
225.07559	0.7
253.10840	0.5
258.18610	1.0
277.58609	0.5
335.13211	0.6
342.20554	1.4
344.23019	0.5
367.15414	7.1
368.15820	0.7
385.16605	5.1
403.25140	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	403.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.01862	1.4
55.05504	1.1
64.61523	0.9
65.03937	2.4
67.05499	3.4
69.03420	2.3
71.04993	1.1
71.14462	2.8
77.03935	2.1
77.19364	0.8
79.05500	4.0
81.03397	1.8
81.07056	2.6
91.05482	30.0
93.07043	3.5
94.04179	1.8
94.06558	3.4
95.04963	3.6
95.08598	2.4
97.02872	1.6
97.06538	1.8
99.04446	1.4
103.05470	25.3
105.07041	2.6
107.04980	2.9
109.02875	2.0
109.06501	1.3
115.05450	2.8
117.06987	4.7
119.04935	35.4
119.08579	3.0
121.06514	3.5
121.10123	1.0
122.03671	4.8
122.06040	8.4
123.04396	1.9
124.07602	1.6
125.06047	1.0
125.09695	1.2
127.03917	3.8
127.10084	1.0
129.01855	1.6
129.06990	1.5
131.04926	57.8
132.02023	1.0
132.05235	1.5
133.06503	2.2
133.10130	1.3
135.04440	1.0
135.08012	1.0
136.07541	0.9
137.05974	73.1
138.06323	2.1
138.09155	1.4
142.07675	0.9
143.04947	1.3
145.06482	8.4
147.04413	32.5
149.02371	1.2
149.05983	3.9
151.07564	1.1
157.03957	3.0
157.06470	1.2
159.04390	1.0
161.05965	2.0
161.13254	6.0
163.03917	1.5
163.07541	34.4
164.04694	1.4
164.08052	1.7
165.05307	0.9
166.06299	1.1
167.07047	30.7
173.05994	6.2
174.10197	0.9
175.03914	59.4
175.07500	5.7
176.04315	2.1
177.05469	5.1
177.09096	6.6
179.07043	4.6
181.04950	5.8
181.06348	1.1
181.06943	1.1
181.08592	13.2
183.08159	1.0
187.07491	1.8
191.07063	1.2
193.08650	3.1
195.47298	1.0
203.10686	3.7
205.08606	20.1
207.06526	100.0
208.06973	1.9
209.08041	5.8
223.09703	7.4
231.10149	5.5
249.11156	6.1
261.11346	1.2
273.13821	1.1
274.08691	1.1
276.06506	1.2
367.15451	3.0
385.16418	13.1
385.21750	1.1
385.23505	1.6
403.17285	3.0
403.25320	5.3
404.24380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1752
Annotation	Tupichilignan A
Peak:m/z	Relative Intensity
69.07076	1.0
70.71764	3.1
78.04731	2.0
79.05491	1.9
81.07068	1.9
85.37370	1.1
91.05479	2.4
93.07056	1.7
101.92382	1.0
103.05468	5.2
105.07043	2.2
107.04963	2.5
115.05463	2.1
117.06998	6.6
119.04968	1.2
121.00928	1.1
121.06548	2.7
122.03623	1.5
123.04438	4.8
124.05189	1.8
129.01828	1.2
129.07022	1.5
131.04930	10.3
137.05981	33.1
145.06464	7.9
147.04399	1.6
149.05977	3.5
159.04399	1.4
162.06641	1.3
163.07536	19.5
167.07039	100.0
168.07396	2.1
175.07536	1.1
177.05479	15.7
177.09099	11.9
179.07133	1.2
181.06419	1.3
189.09161	1.9
191.07089	1.2
193.08612	1.2
199.72284	1.3
205.08611	2.5
207.06482	3.5
207.10275	2.2
209.08069	13.4
217.08618	1.6
223.09752	1.1
249.11113	1.0
272.39764	1.1
367.15414	7.4
385.16489	4.8
403.25281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20237	0.8
53.07694	0.8
56.96569	1.2
59.65604	0.8
61.87643	0.7
67.05495	1.0
69.31987	1.4
69.32384	7.9
75.06754	0.8
78.04705	1.1
79.05501	2.4
79.43423	0.8
81.07063	1.7
91.05508	4.2
93.07055	1.0
95.04981	1.5
103.05456	5.9
103.40502	0.9
105.07036	1.6
107.04948	3.1
109.06564	0.9
109.10189	1.0
110.00016	0.8
113.87041	0.8
115.05457	1.5
117.07013	4.8
119.04933	2.4
121.06516	3.1
121.10133	1.0
122.03645	3.0
123.04460	3.7
124.05209	2.3
129.01839	1.9
131.04924	10.6
133.02788	0.9
133.10162	1.0
135.04443	1.4
137.05980	34.2
137.07037	1.6
138.06331	1.3
141.46519	0.8
145.06483	9.2
147.04436	2.0
149.05989	3.9
151.03891	1.4
152.04684	1.4
157.06520	1.0
159.04402	2.4
161.05984	1.6
162.06787	1.7
163.07545	20.8
165.05553	2.2
167.07045	100.0
168.07362	1.5
175.03954	1.4
175.07501	2.3
177.05489	17.7
177.09102	11.1
179.07019	1.6
181.06467	1.1
181.08795	1.2
183.02913	2.9
189.09218	1.0
193.08597	1.7
197.08142	1.6
205.08737	1.4
207.06500	3.2
207.10262	1.5
209.08093	14.1
219.10028	1.2
275.07019	1.0
283.67892	0.8
295.07547	0.9
301.07056	2.3
327.08566	2.3
329.06671	0.9
330.07541	0.9
355.08054	1.3
358.06979	2.2
367.15491	7.5
373.09222	20.4
374.09369	1.3
385.16440	3.8
386.16193	1.2
388.11554	1.8
403.13882	26.4
404.14319	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	403.1754
Annotation	Hernanol
Peak:m/z	Relative Intensity
52.74130	0.5
53.25740	0.5
56.60630	0.6
56.96556	1.3
57.03414	0.6
62.11810	0.5
67.05489	1.2
69.30845	2.7
69.31279	3.0
71.04996	0.7
73.46470	0.5
78.04689	1.5
78.13879	0.5
79.05482	1.8
81.03435	0.9
81.07040	1.2
86.09666	0.7
89.03947	0.5
91.05486	3.6
93.07030	1.5
93.94402	0.6
94.04221	1.0
95.04960	1.3
95.08589	1.3
101.32676	0.6
103.05470	5.2
105.07008	0.6
106.04174	0.7
107.04965	2.8
107.08562	0.7
109.06491	1.1
115.05464	1.1
117.03371	0.8
117.07006	6.1
119.04946	1.7
119.08562	0.8
121.06499	2.1
121.10136	0.7
122.03683	3.0
123.04412	4.8
124.01827	0.6
124.05209	2.0
129.07008	1.2
131.04924	12.3
133.02844	1.2
134.03604	0.8
137.05977	32.6
138.06248	0.6
143.04947	0.7
145.02840	0.7
145.06477	8.5
146.06773	0.6
147.04382	1.7
149.05974	3.6
151.03914	0.9
152.04689	2.0
157.06477	0.8
159.04453	1.8
161.06020	1.4
163.03923	0.8
163.07545	20.7
164.07947	0.8
165.05504	1.1
167.07039	100.0
168.07373	2.7
173.06012	0.9
175.03870	1.8
175.07552	2.3
175.11237	0.6
177.05470	16.2
177.09088	10.8
178.05907	0.6
179.07068	1.4
181.06499	1.7
181.08701	0.7
184.07335	1.0
185.08038	0.7
189.09108	1.3
191.06886	1.1
193.08669	1.3
197.08163	1.0
205.08632	1.8
207.06506	3.5
207.10106	1.7
209.08078	12.4
213.09106	1.4
217.08667	2.0
219.10135	0.7
221.34769	0.7
225.07645	1.2
249.11194	1.3
331.16068	1.2
333.17566	0.7
349.16855	1.3
363.18344	1.2
367.15390	5.4
385.16479	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	403.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40734	0.7
50.71555	0.7
51.61903	0.6
53.03942	1.0
55.01865	1.0
57.03409	0.8
65.03942	0.8
67.05495	1.2
69.03416	2.6
70.06589	1.6
70.51202	2.6
71.05004	1.0
79.05498	2.2
81.03429	1.6
81.07060	1.5
85.02901	3.2
85.06557	1.1
85.33970	0.7
86.09702	2.8
91.05479	2.1
93.07035	2.5
97.02873	1.4
97.06572	1.3
103.05501	1.4
105.07025	1.7
106.97213	0.8
107.04993	1.7
107.08591	1.5
109.06526	0.8
109.10155	1.9
111.04425	1.1
111.08051	0.9
116.98669	0.8
117.06979	0.8
119.04918	0.7
119.08583	1.3
121.06551	1.2
121.10148	1.3
122.06020	0.8
123.04410	0.9
125.09623	0.8
127.03952	1.0
127.07604	1.0
129.01846	1.5
129.46994	0.7
131.04944	1.8
134.99651	0.7
137.05969	8.1
137.09602	1.5
139.11150	3.5
145.05035	0.8
145.06456	1.3
151.03986	1.2
151.07596	1.0
154.08693	1.3
155.10661	3.3
157.77051	0.8
163.07533	2.0
164.07108	1.2
167.07054	9.3
176.07251	0.8
181.08620	0.8
181.12256	0.9
181.99530	0.8
189.09119	0.7
190.04948	1.0
205.08511	0.8
205.12273	1.2
208.06006	1.0
223.13336	1.4
240.08577	2.1
245.18738	0.7
259.11530	1.9
308.62189	0.8
319.12122	1.2
341.15634	6.0
343.13599	1.6
403.15738	100.0
404.16156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
55.47672	0.5
56.34892	0.5
57.03425	0.9
57.07059	0.8
65.03935	0.5
69.03413	1.7
70.06584	1.4
71.04984	0.8
71.58390	0.8
71.58777	0.6
79.05499	1.0
81.03426	1.4
81.07060	1.1
83.04991	0.9
84.04491	0.7
85.02906	2.8
85.06539	0.7
86.09686	3.6
89.54769	0.5
91.05489	9.6
93.07042	0.8
95.04993	0.7
95.08566	0.6
97.02884	1.6
98.97602	0.8
99.04452	1.0
105.01979	0.5
105.07030	0.8
107.08559	0.9
109.02857	1.4
109.06494	0.6
111.04440	0.8
119.08607	0.9
120.48637	0.6
121.06530	0.7
122.71938	0.6
127.03928	1.8
129.01857	0.8
131.04913	1.1
131.08582	0.8
135.08038	0.6
137.05981	4.0
139.11147	0.6
141.01724	0.7
145.02730	0.6
145.06459	0.8
149.05981	0.6
155.10683	1.6
161.02937	0.8
163.07523	2.2
167.07053	2.9
171.11618	0.7
173.13304	1.0
181.04958	1.4
187.14436	2.1
193.08582	4.2
211.09721	1.0
223.13332	1.8
257.69373	0.6
259.11530	1.4
319.12402	0.9
341.15729	5.1
343.13611	2.0
403.15756	100.0
404.16150	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62937	1.2
53.03934	1.7
55.05510	2.3
57.03438	1.5
60.95455	1.1
67.05502	4.3
69.03416	1.8
69.07045	2.2
70.44859	4.1
78.04681	2.2
79.05482	4.9
81.03378	1.6
81.07042	5.6
83.04971	1.7
85.02894	1.6
91.05489	6.2
93.07047	3.3
95.04967	2.1
95.08615	3.1
97.02916	2.2
97.06472	1.6
97.10145	1.3
101.02375	1.4
103.05453	5.7
103.51945	1.1
105.07016	4.6
107.04942	4.3
107.08583	2.7
109.06520	3.4
117.07020	6.4
119.04921	2.1
119.08549	2.8
121.06478	3.8
121.10098	1.6
122.03667	3.8
123.04432	7.0
123.08096	3.4
124.05167	1.7
128.06194	1.3
129.01839	3.0
131.04936	11.6
131.08546	1.6
135.04408	1.7
135.08092	1.4
137.05988	42.2
145.06500	8.8
145.10106	2.1
147.04399	2.2
149.05962	4.1
157.10068	2.0
162.06750	1.9
163.07574	20.8
167.07050	100.0
168.07387	2.3
174.36609	1.3
175.03935	2.5
175.07549	2.1
177.05510	16.4
177.09094	12.6
179.06985	1.9
181.08705	2.0
193.08662	2.1
197.08066	1.5
207.06523	5.3
209.08064	12.2
217.08658	2.0
273.18414	2.1
291.19418	3.8
367.15408	5.4
385.16251	4.7
403.20813	8.7
403.25284	1.3
409.24069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00624	3.6
55.05507	7.3
57.03432	6.3
67.05497	28.2
69.03441	6.9
69.07078	13.0
70.14142	3.8
70.25237	18.8
71.16731	4.2
79.05502	18.5
79.19395	3.7
81.07059	39.7
83.04996	5.7
83.08603	6.0
88.19924	3.6
91.05477	20.8
93.07049	32.9
95.04969	8.6
95.08591	17.4
97.06541	7.0
98.21416	4.9
103.05467	4.6
105.07071	9.7
107.04936	5.6
107.08596	14.4
109.06518	4.5
109.10168	5.7
110.87040	4.1
113.34918	3.7
117.07008	11.6
119.08597	11.0
121.06500	7.3
121.10148	7.7
126.51653	3.6
131.04947	13.4
131.08600	8.8
133.10118	9.3
135.11664	7.7
137.05978	48.7
145.06520	10.0
145.10062	8.2
147.11646	5.1
149.13266	4.8
154.34018	3.7
159.11711	11.7
163.07539	18.0
167.07050	100.0
171.11603	4.6
177.05463	15.6
177.09102	15.4
177.12961	3.9
179.14259	4.3
181.06534	6.2
183.11493	4.6
207.06505	5.2
209.08144	11.7
213.09210	4.3
234.26544	4.4
255.15941	26.5
269.14926	4.2
269.17404	22.2
275.20175	13.7
277.21689	7.6
349.23663	6.1
367.15567	5.4
404.38550	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.9
55.05504	11.9
57.03436	8.9
67.05510	38.6
69.03432	7.7
69.07059	17.3
70.31918	5.0
70.32299	6.0
71.04993	3.8
79.05496	23.2
81.03420	7.2
81.07066	48.0
83.04972	5.2
83.08614	8.8
87.81033	3.5
91.05479	30.7
93.07056	36.3
95.04985	6.8
95.08610	17.8
96.82125	3.4
97.06535	10.2
100.89950	3.1
103.05496	7.2
105.07032	15.0
107.04980	4.4
107.08585	18.4
109.06512	5.0
109.10169	8.4
117.06998	13.5
119.08581	11.7
121.10151	10.5
123.04462	6.1
131.04884	14.8
131.08536	8.1
133.06482	3.6
133.10136	13.3
135.05516	4.3
135.08070	3.7
135.11652	19.1
137.05991	34.1
137.09608	6.0
138.05440	4.1
145.06477	8.3
145.10107	6.2
149.05899	3.8
149.09608	8.5
149.13248	11.8
157.10088	5.1
159.11703	12.6
163.07526	18.3
167.07050	100.0
173.13345	5.2
177.05447	14.7
177.09074	11.3
177.12717	6.2
179.14291	5.8
181.04979	5.8
181.12245	5.8
195.13791	5.3
201.09178	3.8
207.06487	4.8
209.08025	13.4
255.15945	36.6
269.17496	44.1
275.20084	14.0
277.21561	6.9
349.23651	12.8
367.15265	5.6
367.24606	4.4
385.16519	4.6
402.18317	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	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71399	3.5
53.47666	2.7
55.01863	3.3
55.05506	6.6
55.48373	3.3
57.03431	5.6
67.05499	18.0
69.07063	12.5
71.19930	6.7
78.04673	4.0
79.05489	13.6
80.26163	3.2
81.03408	3.1
81.07047	18.2
83.08617	4.1
86.93924	3.2
91.05489	15.9
93.07042	11.2
95.04977	6.2
95.08622	8.6
97.06501	3.9
97.10181	6.5
103.05482	4.9
105.07029	7.4
107.04951	5.1
107.08617	7.9
109.10161	8.0
117.07037	8.7
119.08595	7.4
121.06535	3.0
121.10167	6.8
123.04404	5.8
129.07016	4.1
131.04919	10.0
131.08592	7.4
133.10112	8.9
135.11676	5.2
137.05980	46.5
138.05521	8.4
143.08592	3.7
145.06467	7.1
145.10109	7.1
149.13235	3.7
157.10162	4.0
158.29762	3.1
159.11678	4.4
161.05974	3.0
163.07576	21.9
167.07048	100.0
175.07657	3.3
177.05463	14.3
177.09154	9.8
178.11472	2.8
207.06537	5.3
209.08136	17.0
227.12665	3.5
229.14368	6.1
255.15955	3.5
257.19012	3.7
258.72385	3.3
269.17551	6.5
275.20081	11.1
303.91074	3.4
349.23730	11.1
367.15219	6.8
385.16519	5.2
402.23416	3.2
402.28296	5.1
403.24692	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	402.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08009	0.4
51.09024	0.4
52.33163	0.4
53.03936	1.8
55.05511	0.5
56.96559	0.5
57.03438	4.4
61.02911	1.0
67.05499	0.9
68.99781	1.0
69.03429	10.0
69.07069	0.7
69.58217	0.4
70.06580	0.6
71.04983	1.8
71.14297	1.0
72.05286	0.4
73.02911	1.3
79.05490	0.6
81.03422	9.2
81.07058	1.3
84.73717	0.4
85.02907	12.7
85.06566	0.5
87.00838	2.2
91.05485	1.3
93.07030	0.6
94.06634	0.5
97.02891	13.5
97.06544	0.6
99.04461	3.8
101.02379	15.2
103.05470	0.9
105.07037	3.0
107.08594	0.5
108.04486	1.0
108.08176	0.5
109.02877	12.4
109.10128	1.0
115.05550	0.4
116.39094	0.5
116.98627	0.4
117.07027	0.8
119.03417	100.0
119.08590	0.7
120.03773	1.4
122.06021	1.1
127.03917	21.5
129.01846	0.4
131.03423	2.6
131.04918	1.1
131.08618	0.5
135.36720	0.4
137.05977	2.9
137.09630	0.4
145.04962	7.2
149.05952	0.5
151.03874	0.5
161.04451	0.7
163.07562	1.5
167.07043	5.9
173.03041	0.8
173.04443	5.7
173.13394	0.5
177.05542	1.0
185.04616	0.5
197.04472	1.2
203.05533	0.9
205.08568	0.5
209.08115	0.8
227.05489	2.2
231.10297	0.6
245.06528	9.2
245.08958	0.7
255.11403	0.5
262.09366	0.6
263.07632	4.1
265.10226	0.5
283.10837	0.8
316.08871	0.6
343.12714	2.5
371.12198	1.8
373.10867	0.5
402.17062	1.1
402.22318	1.0
402.27325	0.8
412.51849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	2.5
53.03937	3.3
53.46113	2.4
55.01861	3.1
55.05505	10.1
57.03432	4.5
60.71329	2.3
61.02896	3.7
65.03922	3.1
67.05508	39.1
69.03427	13.4
69.07062	9.4
70.06586	8.1
70.27233	8.1
71.04987	7.3
72.08154	2.6
79.05492	15.2
81.03400	9.5
81.07061	40.1
81.27928	2.2
83.04967	7.8
83.08613	3.1
84.08141	3.4
85.02902	23.3
85.06528	6.7
91.05480	12.3
93.07051	40.0
95.04970	55.9
95.08041	4.2
95.08607	47.0
97.02858	11.7
97.06519	10.0
97.10220	2.8
99.04504	2.8
99.08106	2.5
101.05981	3.8
105.07038	31.8
107.04982	5.5
107.08589	31.9
109.02859	4.8
109.06510	8.7
109.10161	100.0
111.04435	4.6
111.08083	28.4
113.09604	8.1
115.05462	3.2
116.13833	3.0
116.39011	2.6
117.07052	3.8
118.06836	2.7
119.07797	4.0
119.08585	53.2
121.06516	4.8
121.09309	4.5
121.10139	49.7
123.08063	5.9
123.11676	6.0
125.09608	3.2
127.03934	3.5
129.05508	3.5
129.07002	5.5
130.07841	3.0
131.04927	3.3
131.08539	6.6
133.10143	19.5
135.08026	6.2
135.11700	31.6
137.05994	21.7
139.07556	3.1
139.11159	5.9
143.08543	8.7
145.06441	3.0
145.10120	22.4
147.04430	3.6
147.08112	4.0
147.11682	6.2
149.13240	3.3
151.03899	3.5
151.11159	3.7
155.08527	6.7
157.10103	9.5
159.11732	14.9
161.09619	11.5
161.13257	34.9
163.03920	3.5
163.07536	6.9
163.11192	12.3
167.07042	10.1
174.87402	2.5
175.07613	3.6
175.14824	52.2
177.09119	3.1
177.16443	2.9
179.14304	18.1
181.04890	3.9
183.08072	3.9
185.13277	14.1
189.09145	3.5
193.08665	4.2
193.15834	9.7
201.12740	3.0
203.14310	33.8
205.08600	2.5
215.10715	14.9
221.15364	85.9
226.03366	2.6
231.98199	2.6
233.11801	7.7
239.16444	29.4
401.10831	4.3
401.15485	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	401.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08823	1.3
51.63931	1.8
51.99980	1.3
53.03943	5.5
53.06556	1.2
55.01875	16.8
55.05265	2.2
55.05514	33.5
57.03183	2.0
57.03439	23.3
65.03934	3.4
67.05508	54.2
69.03432	5.2
69.07072	46.3
69.28240	16.2
71.04981	4.1
75.00044	2.2
76.97959	2.0
77.75089	1.4
79.05495	47.5
81.03430	13.1
81.07060	79.1
83.04985	12.6
83.08624	12.7
85.02911	7.6
85.06528	3.5
88.97946	2.9
90.99502	4.3
91.05488	36.9
93.06477	2.9
93.07047	47.6
95.04972	20.6
95.08614	26.4
97.02882	3.0
97.06533	9.1
97.10174	14.3
99.04453	4.3
101.02374	1.4
103.05522	1.9
105.07042	44.5
106.07367	2.0
107.04961	12.6
107.08593	22.1
109.06529	11.1
109.10150	17.5
111.04450	13.5
111.08060	10.2
113.06000	1.5
115.05441	3.2
116.06203	1.6
117.01040	6.0
117.07016	17.7
118.98983	1.7
119.04903	1.7
119.08581	41.6
121.06496	16.1
121.10152	25.2
122.06895	1.5
123.04471	1.8
123.08069	64.9
125.06053	1.9
125.09635	10.8
128.06212	2.7
129.07004	11.8
130.07797	3.4
131.02608	3.1
131.04951	2.5
131.08577	18.9
133.00523	8.8
133.06494	4.9
133.10118	11.4
135.08072	10.4
135.11729	9.1
137.05972	6.6
137.09607	9.0
141.07005	1.8
142.07808	1.8
143.08574	7.9
145.00496	5.9
145.06464	4.3
145.10124	20.0
147.08043	14.2
147.11665	4.4
149.09628	13.3
149.13235	1.8
151.07545	2.4
153.09103	5.6
153.12738	2.6
155.08540	4.1
157.10138	8.7
159.08044	3.9
159.11710	7.8
161.09645	10.5
161.13193	3.3
163.07469	3.5
163.11172	9.8
165.09090	3.9
165.12785	1.5
167.07065	3.1
169.10056	3.1
171.10162	8.2
171.11691	8.4
173.07317	2.8
173.09645	3.4
173.13268	3.1
175.11208	5.3
177.05327	1.5
181.04979	2.1
185.13220	4.0
187.11264	2.2
189.09167	1.7
189.11241	8.9
189.12709	2.9
191.10800	1.7
193.12195	1.9
195.11546	1.6
197.07245	3.9
199.11203	1.8
199.14787	1.8
207.06598	2.0
211.15016	1.5
213.12727	2.6
223.13341	6.9
227.17976	5.9
233.11635	1.9
237.16299	2.5
245.19057	4.2
249.14865	4.6
255.17415	8.4
273.18500	47.7
276.20398	2.7
281.16705	1.8
291.19559	100.0
292.19910	3.4
305.07953	2.0
309.16272	9.8
327.17453	2.8
347.22137	1.7
365.23178	1.7
383.19965	5.1
401.20908	94.5
401.90756	1.6
402.21780	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.9
53.03943	7.6
55.01870	19.8
55.05501	12.5
57.03420	11.8
59.04983	2.3
61.02923	10.0
65.03954	3.4
67.05502	30.4
68.99787	9.3
69.03429	45.4
69.07076	14.2
70.06593	7.4
70.72853	6.7
71.01349	2.6
71.04986	11.9
72.08150	6.8
72.21500	2.0
73.02921	4.1
79.05490	38.6
81.03423	57.5
81.06578	4.0
81.07056	81.9
83.04994	13.9
83.08643	3.4
84.08124	2.3
85.02902	44.4
85.06547	8.9
86.09702	6.5
87.00829	21.3
91.05480	36.7
93.07043	50.5
95.01332	3.7
95.04975	41.0
95.08602	22.9
97.02895	21.9
97.06536	39.6
99.04452	18.8
101.06022	3.5
103.03947	14.0
103.05444	4.0
104.26443	2.2
105.01860	13.3
105.07033	42.1
107.04954	14.6
107.08595	49.1
107.52110	2.1
109.02873	13.9
109.06518	40.7
109.10150	20.0
111.04404	10.5
111.08064	6.2
113.06017	4.1
115.03938	6.9
115.05524	3.3
117.01866	2.7
117.07035	12.6
119.04927	6.6
119.08584	81.9
120.33176	2.2
121.02830	2.3
121.06490	11.0
121.10151	27.3
123.04433	100.0
123.05328	5.1
123.08065	9.4
123.11668	4.2
124.04711	2.1
125.06009	11.4
125.09666	2.2
127.03912	21.4
128.06198	3.8
129.01855	5.4
129.05481	6.7
129.07031	5.6
130.07817	2.6
131.04901	3.2
131.08566	17.9
133.06488	7.3
133.10130	19.8
135.08063	10.6
135.11673	23.6
137.06003	26.2
137.09618	13.7
141.05493	13.4
142.07791	11.8
143.08559	16.3
145.04988	6.8
145.06471	6.8
145.10120	40.9
147.02895	7.3
147.04384	3.7
147.08096	11.1
147.11694	14.6
149.05943	12.2
149.09595	4.4
149.13290	4.7
151.07555	23.7
151.11200	8.2
153.12787	4.9
155.07079	3.7
155.08597	7.2
156.09335	2.4
157.06483	2.2
157.10135	24.4
159.02936	8.8
159.08095	6.9
159.11664	25.6
161.06004	4.6
161.09624	5.5
163.07558	8.3
163.11195	16.9
165.09087	2.8
165.12790	5.6
167.07036	15.5
167.08499	4.4
168.09274	2.3
169.08643	3.0
169.10118	9.7
171.11682	11.1
173.09558	4.8
173.13286	7.3
175.07631	4.1
175.11147	13.1
177.05423	2.9
177.12770	10.2
179.07056	20.5
179.10556	2.6
181.04962	6.7
183.11694	8.6
185.04457	3.2
185.09631	3.7
187.11217	5.8
189.03958	8.8
189.12727	6.3
193.12300	4.0
197.08139	8.4
197.13248	9.5
201.12711	11.0
207.11784	4.9
207.13765	3.1
213.03877	3.0
215.09250	3.2
215.14189	4.3
219.13864	9.1
225.12708	15.9
230.11617	2.7
231.04999	3.9
233.10132	2.8
243.13760	18.8
248.12762	12.2
255.08595	2.8
261.14850	17.0
283.08203	5.5
347.14920	5.8
357.08646	6.1
365.15881	6.8
383.17035	19.7
384.18015	28.4
401.20667	23.5
401.26675	3.3
402.14404	7.0
402.19626	3.2
408.44836	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	399.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05498	1.5
57.07079	1.0
67.05502	3.3
68.50028	0.8
68.50655	0.9
68.99808	0.9
69.03433	1.4
69.07066	10.4
71.08620	2.2
79.05480	2.8
81.03386	2.3
81.07054	6.5
83.04963	1.9
85.02900	1.8
85.10178	1.5
91.05448	2.2
93.07054	1.2
94.04162	1.9
95.04996	2.0
95.08611	2.8
97.06545	1.1
99.04439	1.0
101.06017	1.2
103.05459	14.6
105.07015	2.7
107.04942	2.6
107.08568	2.0
109.02839	1.4
109.10159	1.8
115.05476	1.6
117.07024	9.3
117.46906	0.8
118.07242	1.0
119.08542	1.0
121.10162	1.4
122.03630	5.9
123.11674	5.9
127.03919	1.4
129.05470	1.5
129.07019	1.5
131.04921	32.1
133.06490	1.3
133.10175	1.1
137.05975	100.0
138.06310	2.0
141.07039	1.3
143.08632	1.2
143.67870	0.9
145.06490	13.0
146.03622	2.0
147.06496	2.0
151.11172	7.2
155.08545	3.3
155.92921	1.0
157.06520	2.2
160.05237	1.5
161.05984	2.4
163.07541	63.0
165.07050	1.4
167.07156	1.2
175.07510	5.0
177.09106	23.5
183.08101	5.7
187.07510	2.9
189.09102	4.6
201.09094	4.6
215.10686	8.5
229.26118	1.0
270.64865	0.9
307.13531	1.4
330.08090	0.9
339.15857	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	401.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.05520	1.8
56.96561	3.2
57.03411	1.4
65.20689	1.0
69.03417	3.8
69.07056	1.0
70.06583	3.9
71.04995	1.5
71.56647	2.1
73.63363	1.0
81.03403	2.5
81.07082	1.5
83.04985	1.8
84.04498	1.5
84.08078	1.0
85.02920	7.9
86.09705	2.2
87.62962	0.9
91.03999	1.4
91.05473	1.4
95.04937	1.4
95.08573	1.2
97.02880	2.7
98.97599	1.2
100.03857	1.1
105.07024	2.0
106.52888	1.0
107.04917	2.1
107.08585	1.4
109.02892	1.8
109.10152	1.4
111.04426	1.3
112.49432	1.1
116.98647	2.6
117.03414	1.8
119.08575	2.4
121.06503	1.6
123.08055	1.0
125.02344	3.1
127.03896	2.7
133.10170	1.4
135.04427	1.7
136.07614	1.2
137.05989	2.8
145.02800	1.3
147.04413	1.3
151.03947	1.2
153.05258	4.6
154.08530	1.3
161.01318	1.3
163.03897	7.0
164.07047	1.3
165.05522	1.4
173.01219	1.4
175.11153	1.3
177.05472	1.4
177.09196	1.1
181.04820	1.4
181.08685	1.2
197.12849	5.1
215.13937	2.3
227.05347	3.0
237.02861	1.4
239.12808	2.5
245.06480	2.5
277.04068	1.2
313.10889	1.0
315.10577	10.3
327.12390	1.2
339.10437	1.0
357.11536	23.4
383.14569	1.7
400.71716	1.2
401.10538	100.0
401.17783	6.0
402.10864	2.4
418.18872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01864	2.2
56.96580	1.5
57.03415	2.7
61.02929	2.4
67.05506	1.2
69.03431	9.5
69.07051	1.3
69.89568	4.4
69.89981	1.7
70.06603	7.2
71.04996	3.2
73.02911	1.9
73.06567	1.3
79.05508	1.4
81.03415	6.5
83.04996	1.7
84.04509	2.1
84.08145	1.7
85.02909	23.1
86.09729	3.0
87.00829	6.9
91.05486	2.5
93.07018	1.7
95.04999	1.3
96.08134	1.2
97.02908	11.1
98.21411	1.7
98.97589	2.8
99.04456	3.8
104.04980	4.1
105.01854	10.4
105.07007	1.7
107.04958	2.9
107.08552	1.3
109.02879	12.7
109.06500	1.2
110.06007	1.1
110.07190	5.5
111.04420	1.1
115.07568	3.2
116.98636	2.4
117.03358	1.3
117.07015	1.6
118.06533	1.2
119.04954	2.3
119.08535	1.9
121.10140	1.8
123.04418	1.6
124.07614	4.5
125.06032	2.6
127.03909	18.7
131.08557	2.0
132.04453	100.0
132.08063	1.7
133.04799	2.0
133.08615	3.5
134.05969	1.8
135.04407	1.2
136.07526	1.5
137.05952	2.7
137.85794	1.1
145.02840	2.1
145.04950	6.0
145.06464	2.8
146.05986	2.0
147.04318	2.5
149.06006	5.8
150.05516	12.9
151.06306	8.4
156.07684	3.1
159.02911	2.6
160.07646	1.6
163.03857	2.0
163.07562	3.0
177.05418	3.7
184.07318	6.5
188.07063	2.4
191.14319	1.3
193.89481	1.1
206.08197	1.4
213.04008	2.5
219.13858	2.8
231.04979	3.1
236.09259	1.3
236.16457	2.0
247.21574	1.5
250.56679	1.4
259.14462	3.4
266.65411	1.2
277.15479	5.3
310.65903	1.2
318.16928	1.8
336.18463	1.6
398.17551	2.5
398.18735	2.0
398.22156	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01853	0.7
57.03431	1.8
61.02913	2.6
65.22388	0.7
67.05488	1.0
68.92747	0.7
69.03426	11.1
70.06588	1.2
71.04986	4.4
71.14039	0.9
71.14372	1.2
73.02901	2.9
81.03419	12.8
83.04938	0.9
84.04496	0.8
85.02902	72.0
86.03224	1.2
86.09708	1.1
91.03946	1.5
91.05490	1.4
93.07015	1.2
97.02285	1.1
97.02892	19.3
97.06522	2.1
99.04450	36.5
103.03938	91.5
104.04276	1.8
105.07034	1.0
109.02873	14.8
115.03931	1.6
123.04396	0.8
127.03912	100.0
128.04236	1.5
135.84224	0.7
137.06000	1.6
137.78911	0.6
145.04956	59.3
153.01820	1.3
158.70157	0.7
161.06087	0.8
163.06010	58.6
164.07063	0.8
171.08040	0.8
177.05495	1.6
181.04897	1.2
186.07620	0.9
187.05998	4.9
195.06573	1.2
204.10146	1.3
205.07108	3.4
206.11792	2.0
216.10127	0.8
261.09335	0.7
271.08127	7.2
289.09210	6.7
299.09094	1.1
300.15945	3.1
307.10223	10.5
318.16913	3.6
333.40881	1.0
336.17953	0.8
344.18518	1.2
355.08044	3.8
355.16727	1.0
362.19510	1.1
363.16486	2.3
374.98233	0.8
380.20737	2.8
392.99265	1.7
398.22003	2.7
399.10522	1.5
399.19312	2.1
419.90524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01881	2.6
55.05522	3.9
56.95469	1.7
57.03434	3.1
61.02932	3.6
65.03941	2.5
67.02644	2.1
67.05472	2.2
69.03430	18.4
69.07052	3.7
70.06584	7.0
70.88355	5.1
71.04995	5.1
72.08157	2.5
79.05486	3.4
81.03424	20.0
81.07057	2.6
83.04984	3.7
84.04551	3.2
85.02906	73.9
86.09715	3.8
87.00803	2.1
87.04515	2.0
91.05485	7.6
93.07044	4.0
95.04982	3.5
97.02888	20.0
97.06561	10.7
99.04456	38.2
100.11275	3.1
103.03941	100.0
105.01849	2.2
105.07040	7.8
107.04973	5.4
107.08584	3.8
109.02890	22.4
110.07179	6.8
111.04472	2.8
116.98717	2.5
119.08588	4.2
121.06516	6.0
121.10083	2.2
127.03921	97.7
128.04251	2.5
131.08575	2.2
134.06021	3.2
137.05978	7.6
145.03018	2.3
145.04971	45.6
149.05995	2.9
150.05530	6.8
151.03961	2.7
152.07062	3.3
153.01884	2.8
155.16566	2.2
159.08037	3.1
159.11739	2.7
162.05530	4.6
163.06036	66.6
175.07629	3.5
176.10703	2.7
177.05490	4.6
180.14110	2.2
187.06068	4.8
187.07558	2.7
195.06570	3.1
201.05505	2.4
201.09088	2.2
204.10194	13.7
205.07097	3.7
214.08635	2.2
217.08614	3.4
227.14293	2.1
229.12372	4.1
248.12872	4.0
271.08188	4.3
289.09204	6.2
299.09265	4.1
300.15918	13.4
304.18167	3.2
307.10266	12.1
316.19077	3.5
318.16885	17.1
320.18506	5.7
326.13016	2.1
334.19992	2.9
344.18491	4.0
355.08173	10.0
355.16583	3.8
362.19708	7.0
363.16736	4.4
380.20813	6.7
381.18060	2.5
382.16476	3.5
397.51535	2.3
398.17450	4.0
398.22260	13.0
398.32626	3.6
399.10867	8.5
399.19324	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	397.3105
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
55.05510	5.4
56.96565	4.5
57.03434	3.9
57.07074	3.1
64.96526	3.0
66.46288	2.8
67.05498	16.2
69.03426	4.5
69.07072	35.9
71.58676	5.0
73.02924	3.4
73.06560	3.2
79.05492	14.4
81.07060	26.9
81.90826	2.8
83.04996	4.2
83.08604	6.1
85.06544	4.9
91.05487	9.7
93.07055	17.4
95.04974	4.9
95.08600	10.9
97.06535	6.5
99.08096	3.9
105.07018	22.3
107.08599	17.8
109.06498	3.8
109.10125	16.7
115.07571	8.0
117.07047	7.0
119.08584	16.3
121.10154	17.7
123.11723	6.4
125.09618	4.7
129.07037	5.6
131.08569	11.8
133.10129	16.0
135.11684	8.2
143.08571	18.1
145.10139	16.6
147.11702	29.7
149.13287	6.6
155.08568	4.0
156.92459	2.9
157.10135	12.7
159.11703	21.3
161.09647	3.2
161.13263	12.3
169.10178	5.0
171.11678	14.1
173.13275	5.2
175.14886	5.2
181.12180	3.5
184.07359	9.0
185.13268	3.7
197.13326	5.8
199.40048	3.0
211.14873	5.0
213.16443	3.4
215.17940	9.7
253.19536	100.0
275.08167	3.0
283.24225	12.6
379.30048	8.6
397.26898	10.1
397.31262	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05513	2.5
56.00960	0.9
56.96557	1.3
57.03451	1.1
64.79411	1.0
67.05505	3.0
69.03427	3.4
69.07072	1.8
70.06606	1.1
71.05010	1.2
71.56406	0.9
71.56812	1.2
71.91747	0.8
79.05502	3.5
81.03432	2.8
81.07065	3.3
83.04993	1.7
84.04470	1.0
85.02905	2.7
91.05492	5.6
93.07069	2.7
95.04963	2.9
95.08629	1.5
97.02882	1.6
97.06551	7.1
98.06888	1.2
99.04446	1.1
100.11224	1.5
103.05446	1.0
105.07030	6.0
107.04980	3.3
107.08621	2.5
109.02892	2.6
109.06547	1.2
117.07034	1.7
119.04964	2.1
119.08596	3.3
121.06516	1.7
121.10146	1.6
123.00740	1.8
123.04467	2.4
127.03991	2.2
128.06215	1.8
129.07007	1.3
131.08578	4.0
133.06522	1.7
133.10101	2.2
135.04453	1.3
137.06013	3.6
141.06989	1.1
143.08604	3.6
145.06483	2.1
145.10185	1.5
145.70512	0.9
147.04424	3.2
147.08099	1.9
147.11610	1.3
148.04774	1.4
149.05997	3.0
149.09680	1.8
151.03987	1.2
155.08531	1.4
159.08064	2.6
159.11713	1.3
161.05937	2.0
163.04007	1.4
165.07047	2.8
166.07727	1.0
167.08603	1.8
169.01376	1.5
171.08134	1.8
173.06058	1.2
176.07112	1.1
176.10748	2.2
177.05547	1.5
177.07849	3.1
177.11113	1.2
178.08022	3.6
179.08580	2.7
181.06517	1.8
183.08104	1.4
187.07651	1.1
189.09167	1.6
191.08537	4.9
193.10149	1.6
194.07399	1.2
195.08080	2.3
197.09613	1.3
202.07736	1.4
203.08612	3.6
203.12692	1.5
204.09357	2.2
205.06636	1.4
205.10408	2.8
206.11244	1.2
207.08113	3.2
208.08945	1.1
209.09642	3.0
213.05611	1.9
215.08693	1.4
217.10283	1.4
218.07365	1.7
218.10951	1.6
219.08038	6.1
219.11693	1.4
221.09541	2.2
223.07632	4.1
223.11153	1.4
225.09122	1.8
227.06964	1.3
231.08093	2.5
232.08910	5.1
232.14149	1.0
233.09636	3.3
233.13313	2.9
235.07535	3.3
235.11108	1.3
236.08379	2.3
237.05418	1.8
237.09100	6.0
237.12764	1.2
239.07016	1.8
241.04980	1.4
244.08911	1.0
245.09698	1.6
246.10382	2.5
247.07584	3.5
247.11179	2.1
249.05473	1.5
249.09091	3.2
249.12883	1.4
250.09943	3.6
251.07033	5.9
251.10669	2.0
251.14276	1.8
253.08658	1.8
258.14743	1.2
259.11282	1.2
259.15292	4.0
260.08411	3.7
260.12473	1.2
261.09033	1.2
261.10333	1.1
261.12827	8.8
263.04453	0.9
263.07019	4.9
263.09854	1.0
264.07822	3.4
265.05188	4.4
265.08649	9.8
265.12070	1.7
266.09546	1.5
267.06485	1.6
267.09991	0.9
271.11197	2.0
273.13748	1.9
274.09912	1.5
274.14014	4.9
275.06787	1.1
275.10840	1.3
277.04803	1.2
277.08612	1.8
278.05923	2.2
278.09464	5.3
279.06592	5.2
279.09799	1.2
279.10785	1.7
279.13821	9.7
280.07339	8.4
281.08105	5.7
281.11050	0.8
289.12238	7.8
291.06567	1.6
292.07425	3.6
292.10706	1.1
293.08142	11.6
293.11499	1.9
295.13409	2.7
302.17480	6.4
303.17859	29.1
303.21375	1.9
306.09137	1.5
306.16809	1.6
307.09811	2.0
307.13239	23.3
317.11789	3.5
321.18918	1.8
323.12915	5.2
324.15948	2.3
334.20139	4.7
335.12787	58.1
335.20432	41.1
335.24606	1.4
336.13037	2.0
340.15518	1.0
352.15424	15.1
361.21866	1.1
362.13907	1.7
369.18195	1.2
379.23074	9.9
380.14941	29.5
397.17621	100.0
397.24097	42.1
398.18018	3.6
413.06454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05513	2.5
56.00960	0.9
56.96557	1.3
57.03451	1.1
64.79411	1.0
67.05505	3.0
69.03427	3.4
69.07072	1.8
70.06606	1.1
71.05010	1.2
71.56406	0.9
71.56812	1.2
71.91747	0.8
79.05502	3.5
81.03432	2.8
81.07065	3.3
83.04993	1.7
84.04470	1.0
85.02905	2.7
91.05492	5.6
93.07069	2.7
95.04963	2.9
95.08629	1.5
97.02882	1.6
97.06551	7.1
98.06888	1.2
99.04446	1.1
100.11224	1.5
103.05446	1.0
105.07030	6.0
107.04980	3.3
107.08621	2.5
109.02892	2.6
109.06547	1.2
117.07034	1.7
119.04964	2.1
119.08596	3.3
121.06516	1.7
121.10146	1.6
123.00740	1.8
123.04467	2.4
127.03991	2.2
128.06215	1.8
129.07007	1.3
131.08578	4.0
133.06522	1.7
133.10101	2.2
135.04453	1.3
137.06013	3.6
141.06989	1.1
143.08604	3.6
145.06483	2.1
145.10185	1.5
145.70512	0.9
147.04424	3.2
147.08099	1.9
147.11610	1.3
148.04774	1.4
149.05997	3.0
149.09680	1.8
151.03987	1.2
155.08531	1.4
159.08064	2.6
159.11713	1.3
161.05937	2.0
163.04007	1.4
165.07047	2.8
166.07727	1.0
167.08603	1.8
169.01376	1.5
171.08134	1.8
173.06058	1.2
176.07112	1.1
176.10748	2.2
177.05547	1.5
177.07849	3.1
177.11113	1.2
178.08022	3.6
179.08580	2.7
181.06517	1.8
183.08104	1.4
187.07651	1.1
189.09167	1.6
191.08537	4.9
193.10149	1.6
194.07399	1.2
195.08080	2.3
197.09613	1.3
202.07736	1.4
203.08612	3.6
203.12692	1.5
204.09357	2.2
205.06636	1.4
205.10408	2.8
206.11244	1.2
207.08113	3.2
208.08945	1.1
209.09642	3.0
213.05611	1.9
215.08693	1.4
217.10283	1.4
218.07365	1.7
218.10951	1.6
219.08038	6.1
219.11693	1.4
221.09541	2.2
223.07632	4.1
223.11153	1.4
225.09122	1.8
227.06964	1.3
231.08093	2.5
232.08910	5.1
232.14149	1.0
233.09636	3.3
233.13313	2.9
235.07535	3.3
235.11108	1.3
236.08379	2.3
237.05418	1.8
237.09100	6.0
237.12764	1.2
239.07016	1.8
241.04980	1.4
244.08911	1.0
245.09698	1.6
246.10382	2.5
247.07584	3.5
247.11179	2.1
249.05473	1.5
249.09091	3.2
249.12883	1.4
250.09943	3.6
251.07033	5.9
251.10669	2.0
251.14276	1.8
253.08658	1.8
258.14743	1.2
259.11282	1.2
259.15292	4.0
260.08411	3.7
260.12473	1.2
261.09033	1.2
261.10333	1.1
261.12827	8.8
263.04453	0.9
263.07019	4.9
263.09854	1.0
264.07822	3.4
265.05188	4.4
265.08649	9.8
265.12070	1.7
266.09546	1.5
267.06485	1.6
267.09991	0.9
271.11197	2.0
273.13748	1.9
274.09912	1.5
274.14014	4.9
275.06787	1.1
275.10840	1.3
277.04803	1.2
277.08612	1.8
278.05923	2.2
278.09464	5.3
279.06592	5.2
279.09799	1.2
279.10785	1.7
279.13821	9.7
280.07339	8.4
281.08105	5.7
281.11050	0.8
289.12238	7.8
291.06567	1.6
292.07425	3.6
292.10706	1.1
293.08142	11.6
293.11499	1.9
295.13409	2.7
302.17480	6.4
303.17859	29.1
303.21375	1.9
306.09137	1.5
306.16809	1.6
307.09811	2.0
307.13239	23.3
317.11789	3.5
321.18918	1.8
323.12915	5.2
324.15948	2.3
334.20139	4.7
335.12787	58.1
335.20432	41.1
335.24606	1.4
336.13037	2.0
340.15518	1.0
352.15424	15.1
361.21866	1.1
362.13907	1.7
369.18195	1.2
379.23074	9.9
380.14941	29.5
397.17621	100.0
397.24097	42.1
398.18018	3.6
413.06454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	3.2
57.07079	27.5
71.08638	25.5
71.58270	4.1
73.06541	4.0
81.07067	3.3
83.08617	4.9
84.68149	2.7
85.10184	24.8
89.06037	100.0
98.17567	2.7
99.41174	3.6
117.09093	2.7
119.08574	3.5
130.08603	3.8
133.08614	46.4
160.71640	3.0
177.11198	10.7
184.07326	9.5
185.18956	4.6
195.12321	4.8
207.79550	2.5
229.21576	8.5
234.14803	3.2
239.14923	30.5
273.24310	4.1
312.02283	2.7
349.18460	2.7
363.17755	2.6
379.30548	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05492	0.3
57.03427	0.9
61.02914	0.5
63.08278	0.3
65.03943	2.5
69.03426	4.9
69.45794	1.6
69.46233	1.3
71.04989	1.3
73.02892	0.4
79.05494	0.6
81.03419	8.7
81.07060	0.8
85.02906	13.9
91.05481	100.0
92.05812	1.9
95.04965	0.6
95.08614	0.4
97.02899	2.1
99.04458	7.4
103.01598	0.3
103.03938	14.3
105.07018	2.8
107.04955	0.4
107.08612	0.5
109.02879	7.6
111.04436	0.5
115.04012	0.4
117.06995	0.4
119.08567	0.5
127.03918	29.4
128.04237	0.5
128.06203	0.4
129.06999	1.6
131.08598	0.5
133.06500	0.4
133.10117	0.4
133.32126	0.3
137.05962	0.5
143.08563	1.5
145.04974	3.9
145.06488	0.6
145.10130	0.3
146.28250	0.3
149.06065	0.3
157.06520	0.5
159.08083	0.4
159.11633	0.4
162.04182	0.8
163.06049	0.8
171.08118	1.0
175.07593	1.1
187.06026	4.3
199.07555	2.5
205.07051	0.6
206.11673	0.5
211.09464	0.3
217.08685	2.4
217.12267	1.1
235.09770	0.4
235.13354	1.7
253.07195	1.1
271.08167	0.8
278.12689	0.5
295.11844	0.4
303.17792	0.4
335.20456	0.8
379.23013	0.6
397.09955	0.5
397.18158	1.1
397.24072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64440	0.5
57.03418	1.2
61.92407	0.5
67.05480	0.6
69.03410	0.7
69.07030	2.5
69.70650	2.7
69.71059	1.0
70.06596	0.7
79.05454	2.0
81.03385	0.6
81.06996	1.0
91.05508	0.7
95.04936	0.7
95.08588	0.6
97.06020	0.8
97.06541	9.9
109.02850	0.8
109.10126	0.8
119.04964	0.6
121.03867	0.5
131.08501	0.7
133.06479	0.9
133.10049	1.3
135.08037	0.6
137.05917	1.1
137.09573	0.8
143.08589	1.3
145.06462	0.8
147.04378	2.3
147.06801	8.5
148.04712	2.2
151.07582	0.6
159.08044	2.4
160.11211	1.0
171.08044	1.3
172.11142	1.1
173.09583	2.2
174.12756	1.0
175.07549	0.7
175.11151	0.8
176.07089	2.7
176.10715	6.2
177.07816	6.1
177.09154	0.9
185.09602	1.8
186.09093	0.9
187.07486	1.0
188.10712	1.4
189.09207	1.6
199.07501	1.6
200.10632	0.8
202.12292	9.5
203.10771	0.7
204.10213	6.4
205.10826	1.2
206.11821	3.4
206.13547	0.7
213.12724	1.9
214.08446	0.7
215.10699	0.6
216.10225	2.5
229.10919	4.4
230.15416	4.1
231.13800	7.5
241.12292	1.0
257.15292	0.9
258.14908	24.5
259.15369	1.1
260.12756	2.4
273.13602	20.9
274.14038	1.2
276.15964	1.7
284.16385	1.3
300.16138	0.8
300.19510	1.3
302.17514	100.0
303.17856	5.0
305.16284	7.2
310.18091	1.2
316.19067	12.9
320.18546	1.8
328.19141	3.5
332.22375	1.5
334.20139	96.8
335.20471	5.0
346.20117	3.8
360.21732	18.6
361.22055	1.3
378.22787	21.2
378.27466	1.3
396.23834	73.8
397.24066	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	396.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.8
67.05466	0.9
69.07028	1.7
70.17015	1.0
70.17304	2.9
79.05470	1.6
91.05452	0.7
97.06535	8.3
101.83168	0.6
119.08507	0.7
137.05942	1.1
145.06494	0.7
147.04405	0.8
147.06831	6.1
151.07474	0.6
159.08026	1.9
160.11226	0.8
161.09599	0.7
171.08057	1.1
173.09612	1.4
174.12787	0.7
176.07036	2.7
176.10681	4.8
177.07874	7.6
179.10703	0.9
185.09612	1.3
185.13252	0.8
186.09164	0.6
188.10614	0.9
189.09111	1.7
198.09111	0.6
199.07481	1.0
201.11380	0.8
202.12254	10.4
203.10661	0.9
204.10197	5.0
205.10789	0.7
206.11783	2.6
213.12700	2.3
214.08586	1.3
214.12090	0.8
216.10123	3.6
229.10854	4.3
230.15442	3.6
231.13821	5.7
239.14313	0.7
241.12144	0.8
257.15283	0.9
258.14923	20.0
258.17633	1.1
260.12891	2.4
273.13589	17.0
284.16293	1.0
302.17505	91.1
303.17868	3.8
305.16263	7.9
316.19107	10.4
328.18976	4.1
334.20126	100.0
335.20578	4.6
346.20010	3.3
360.21701	17.5
378.22784	25.1
379.22882	1.1
396.23825	70.9
397.24176	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	396.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.7
55.01873	7.9
55.05505	2.0
56.96545	1.9
57.03443	5.7
58.53836	0.9
59.04993	0.9
60.04501	1.5
61.02930	5.3
65.03947	1.1
66.92114	0.9
67.05492	4.2
68.99789	3.2
69.03431	32.4
70.06581	2.5
71.04986	4.5
71.41386	1.7
73.02914	7.4
79.05482	1.2
81.03419	26.0
81.07046	2.5
83.04966	1.6
84.08100	1.4
85.02908	100.0
86.03249	1.6
86.09731	1.8
87.00835	41.3
90.05557	7.4
91.03939	1.3
91.05491	1.6
95.04963	6.0
96.67617	1.0
97.02890	37.8
98.69598	1.1
98.97560	2.8
99.04468	15.1
105.01871	65.9
105.07045	1.4
106.61959	1.0
107.04991	1.5
109.02883	35.2
109.10181	1.3
110.07173	1.3
111.04395	1.5
113.06012	22.9
116.98659	1.1
117.01855	3.5
117.14013	1.0
123.04403	1.7
127.03923	73.7
128.04253	1.3
129.01840	2.9
129.06987	1.3
131.04929	1.7
131.07036	10.1
137.05977	2.2
138.09103	2.4
145.04970	31.7
147.02875	2.4
147.04427	1.9
148.07640	1.2
152.07069	1.6
153.05386	1.1
158.99799	1.0
159.02907	15.9
161.05966	2.5
162.05505	1.3
163.03970	5.8
164.07043	2.7
175.07530	2.8
176.07043	5.9
177.00708	1.1
187.03912	1.3
198.11316	2.6
204.06569	7.1
213.03958	4.5
216.12311	2.3
217.12215	3.5
222.07701	3.2
228.10115	1.1
231.02711	1.7
231.05013	31.8
234.13348	13.1
249.06070	10.5
255.11356	2.3
273.12381	1.8
330.72079	1.1
361.11203	2.6
396.12924	4.6
396.20609	4.9
396.25259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
55.01875	9.4
56.96566	4.8
57.03437	5.9
60.72997	2.4
61.02909	7.5
68.99765	4.9
69.03429	31.3
70.06599	3.8
71.04989	6.7
71.56617	4.2
71.56986	3.7
73.02928	8.1
81.03416	28.7
81.07074	5.0
83.04935	3.7
84.04483	4.1
85.02906	100.0
87.00836	38.3
90.05560	19.9
91.05510	4.3
95.04974	3.5
95.08602	3.1
97.02898	42.7
98.97599	3.6
99.04464	14.8
103.03963	3.4
105.01872	68.9
107.08647	3.0
108.37388	2.8
109.02885	39.8
109.06526	4.8
111.04427	4.0
113.06013	14.1
116.98641	3.2
117.01791	3.3
120.08126	4.0
127.03920	94.4
129.01825	4.0
131.04974	2.9
131.07037	11.4
135.04422	4.3
136.07599	6.0
138.09126	4.1
145.02832	3.0
145.04955	44.1
147.02818	4.8
147.04396	9.5
150.57559	2.9
159.02924	16.8
159.04225	4.8
161.05998	3.7
162.05452	3.2
162.22499	2.7
163.03923	12.0
164.07082	4.0
165.46664	2.9
176.07048	5.7
178.08624	3.0
198.11209	5.3
204.06560	13.0
207.59041	2.9
213.04028	7.1
216.12271	3.2
216.97865	3.2
222.07607	5.5
231.04977	35.6
234.13310	30.1
234.98932	3.4
249.06143	12.4
255.11232	3.3
277.00101	5.0
396.12897	11.5
396.20453	4.0
399.03101	3.0
418.32339	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	396.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01869	1.5
55.05499	1.4
65.03922	1.4
67.05221	0.7
67.05507	7.1
68.05824	1.1
69.03432	1.8
69.07076	0.8
69.52776	5.6
79.05486	2.6
81.03432	4.4
81.07070	3.9
83.04959	1.0
83.08611	0.9
84.08133	0.7
85.02891	1.6
91.05476	4.9
92.05782	0.8
93.07040	2.4
94.06557	5.8
95.04948	2.2
95.08603	1.6
96.14875	0.7
97.02877	2.0
97.06542	2.1
99.04406	0.9
105.07014	3.2
107.04953	1.5
107.08583	2.4
109.02878	1.6
110.09680	0.9
111.04427	0.8
117.07009	1.1
119.04943	2.1
119.08600	1.6
120.08125	1.1
121.06502	1.9
121.10134	1.4
122.06031	20.4
123.04428	0.9
123.06364	3.9
123.08061	0.7
127.03907	2.9
131.08586	1.7
133.06505	1.3
133.10110	1.0
135.04514	0.8
137.05969	6.6
138.09123	1.2
147.04382	6.1
147.08002	1.1
147.11670	1.0
148.04750	3.7
149.09637	1.7
154.08598	2.0
157.10022	0.7
161.05971	2.5
166.08636	1.5
173.06012	1.4
175.07495	1.0
175.11252	1.1
177.09154	0.7
187.07550	1.3
191.08531	3.6
193.12251	3.2
201.08987	1.3
202.07777	2.2
203.08508	1.3
218.07365	0.9
219.08061	5.1
225.14821	1.1
231.08051	14.6
233.06163	1.0
239.11795	0.8
247.07591	10.4
248.07854	0.8
251.11809	1.2
251.17987	0.9
257.06027	1.3
257.15332	0.8
267.11353	0.9
275.07025	100.0
276.07382	5.8
302.17313	0.9
311.16388	1.6
317.17532	1.4
329.17438	2.0
334.20181	1.1
342.15353	0.9
343.19095	1.4
361.20071	4.7
378.22906	9.1
396.18655	1.3
396.23740	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24317	1.4
53.03936	3.8
53.48517	1.6
55.05516	14.6
57.03443	4.3
57.07079	37.5
58.07451	2.1
65.03968	2.2
67.05508	26.5
69.03417	1.9
69.07082	15.5
69.92234	9.9
71.08636	25.1
79.05496	17.2
81.07061	48.1
83.04995	3.7
83.08620	14.0
85.10181	12.6
91.05492	28.7
92.34602	1.6
93.07050	44.2
93.93108	1.6
95.04977	31.9
95.08610	50.0
97.06518	4.4
97.10176	6.0
98.98470	54.5
105.07032	45.9
107.04965	3.1
107.08586	26.6
109.06538	8.3
109.10166	24.7
110.32975	1.8
111.11760	2.2
113.00027	2.1
115.05418	3.2
116.99493	1.7
117.07019	12.1
119.04948	2.5
119.08581	46.1
119.78439	1.7
120.41805	2.0
121.06493	10.3
121.10158	21.2
123.08088	1.9
123.11730	9.2
128.06224	5.3
129.06979	9.6
130.07800	4.2
131.08566	23.5
133.10124	28.5
135.08060	4.2
135.11681	9.2
137.13268	3.1
138.02367	1.8
141.06989	1.9
142.07790	10.0
143.08542	17.7
144.09291	3.9
145.10132	39.2
147.04359	1.9
147.08066	2.1
147.11693	12.7
149.09677	3.1
155.01047	100.0
155.08589	6.2
156.09328	5.7
157.10127	28.0
158.10881	4.5
159.08098	2.0
159.11682	18.4
161.09637	7.0
161.13278	3.4
167.08601	2.1
169.10109	10.4
170.10945	4.1
171.11716	15.2
173.09639	2.6
173.13254	11.7
175.11235	5.1
175.14815	7.8
181.10141	5.3
182.10925	3.5
183.11676	8.9
185.13318	5.8
187.11209	5.0
187.14862	6.1
193.10260	2.7
195.11736	5.0
196.12505	2.0
197.13306	7.0
199.14813	3.7
201.16399	3.7
205.15973	2.2
209.13318	6.7
211.14859	6.1
213.16409	3.3
221.13310	3.2
221.22621	2.3
223.14806	3.0
225.16403	3.4
235.14880	4.0
239.23657	10.8
253.15941	3.3
253.19553	2.2
266.20313	1.9
300.91537	2.0
369.71243	1.8
374.07025	1.8
375.26810	4.2
393.28061	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	395.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.2
56.96580	3.2
61.94240	1.7
68.05038	5.3
68.29225	2.2
69.03425	5.7
70.06580	2.8
70.61329	1.6
71.01359	1.6
71.52312	3.6
73.02924	3.0
81.03378	2.5
81.04559	1.7
82.06577	2.1
83.04977	2.5
83.06079	2.1
84.04516	6.0
85.02921	10.3
87.04507	2.3
91.05481	4.1
92.05014	4.4
94.02927	12.0
95.06113	2.9
96.04462	2.8
97.02903	5.2
97.04025	10.9
98.97567	13.1
99.05582	1.8
100.83003	2.0
107.06086	2.1
108.04499	4.9
109.02863	3.9
109.04046	2.0
110.06040	3.1
111.05601	2.8
116.98627	8.4
119.01950	5.5
119.04908	3.5
119.26638	1.5
120.04482	6.5
123.04427	7.0
123.05502	2.8
124.05175	3.2
127.03905	5.0
130.05011	3.1
130.97293	1.8
131.01935	4.0
133.03510	3.5
134.99669	3.9
135.04594	2.0
135.05542	12.6
136.04028	3.7
136.05070	14.1
137.06003	27.1
137.07013	3.3
138.05522	5.7
140.03435	16.4
141.06598	4.3
143.01994	3.1
145.03506	3.4
145.04933	2.5
148.05086	3.4
150.06575	2.1
152.04559	4.3
152.07111	4.9
153.06586	35.3
154.04979	3.0
154.08621	16.8
155.01939	2.1
155.04532	3.7
157.06181	2.3
158.99696	4.1
160.07523	1.8
161.01280	1.9
161.02979	2.9
163.04910	1.9
164.04553	3.6
164.07112	6.3
166.05009	2.8
166.07283	6.8
169.03485	2.0
169.06203	2.1
171.05058	2.0
171.07628	17.3
173.03026	6.4
177.00726	7.7
178.06140	7.1
180.07698	5.1
181.06137	3.7
182.04041	4.2
182.05627	67.7
183.07568	2.5
187.04539	2.8
188.07133	2.3
196.07201	4.7
198.05118	7.3
198.08711	10.5
201.08688	2.3
202.08673	3.3
203.07730	3.9
206.05530	3.3
209.05696	2.9
212.06712	10.7
212.55183	2.0
214.08434	3.6
215.07651	4.0
217.09656	4.9
219.01840	6.4
221.05104	6.6
226.08279	6.3
227.06662	7.9
229.09866	2.3
237.02911	8.6
239.07716	3.0
242.07735	43.0
244.09303	100.0
245.09294	5.1
274.07327	2.5
279.03979	2.6
291.09750	9.4
305.10846	8.4
317.11328	2.4
318.09991	2.2
323.11725	3.8
335.06729	4.7
335.12396	10.2
353.07541	3.6
395.10870	2.7
395.15820	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05489	0.4
53.30922	0.5
55.05513	3.8
57.03430	4.5
57.07076	28.3
66.86461	0.4
67.05177	0.7
67.05508	9.8
69.07069	6.8
70.20128	2.4
71.08630	22.6
72.08965	0.5
79.05474	0.7
81.07057	13.9
82.07376	0.5
83.08148	0.6
83.08621	9.9
83.28857	0.5
85.10186	12.9
95.08610	21.7
97.10172	5.2
97.11423	0.4
98.98469	48.3
99.11745	1.1
102.40656	0.5
109.10156	9.6
111.11707	1.5
113.13268	0.6
113.54607	0.4
113.88777	0.5
116.99531	2.3
123.11703	4.1
125.13313	1.4
137.13263	2.4
139.14775	0.6
140.01054	1.6
151.14796	1.2
151.15923	0.5
155.01042	100.0
156.01402	1.2
165.16415	0.8
173.02011	0.6
193.30429	0.4
196.03685	1.8
221.22681	1.3
239.23698	13.1
270.63644	0.4
335.67184	0.5
393.23862	1.4
403.89148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.1
55.05511	11.9
55.48119	2.0
56.25371	2.0
57.03430	9.2
57.07056	3.4
67.05502	22.7
69.03429	3.4
69.07068	13.5
70.98805	6.1
75.04519	2.1
79.05496	27.0
81.07061	26.2
83.04992	4.8
83.08631	5.2
84.91949	2.0
90.62739	2.1
91.04954	3.9
91.05475	30.7
93.07040	27.4
95.04983	13.7
95.08600	18.2
95.27390	2.4
97.06534	3.2
97.10176	3.6
99.08109	2.6
103.05508	2.6
105.07029	36.7
107.04960	4.5
107.08601	17.9
109.06493	6.0
109.10146	8.2
115.05460	3.9
117.07014	31.0
119.04951	3.8
119.08589	29.5
121.06493	9.2
121.10162	13.6
121.10907	2.4
123.08090	3.3
128.06262	3.4
129.07010	14.1
131.08577	38.0
133.06514	9.1
133.10123	19.9
135.08060	5.2
135.11681	8.2
141.06914	2.5
142.07780	4.4
143.08580	18.4
145.10115	25.2
147.04411	13.1
147.08051	8.7
147.11693	12.7
149.09630	7.9
149.13245	4.6
154.07634	2.1
155.08455	2.4
157.10124	12.4
159.11690	21.8
161.09625	7.8
161.13211	10.3
163.11206	4.3
169.10161	3.3
171.11697	11.0
173.13335	10.1
175.11162	6.5
175.14850	3.0
177.12794	3.3
183.11714	5.4
185.13271	9.3
187.14748	2.8
189.12762	7.9
197.13304	4.3
199.14842	4.4
217.15862	3.4
223.14749	2.8
245.25096	2.3
255.21071	4.9
257.18967	6.3
259.20670	2.4
273.22095	26.7
275.19952	3.7
276.13022	2.9
283.20621	15.7
301.21616	100.0
302.21954	3.6
318.24210	4.1
319.22733	15.8
326.15976	2.4
329.24945	3.2
349.23773	16.1
361.28519	5.0
365.26636	3.6
375.25314	91.5
376.25742	5.5
393.16837	2.7
393.26358	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	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34084	0.4
59.31731	0.5
68.05010	1.4
69.03407	1.3
69.60705	1.9
69.61125	1.2
70.06573	1.0
72.08167	0.5
81.03410	1.0
85.02876	1.7
91.05463	0.6
95.04926	0.5
97.02863	0.8
99.04430	0.7
108.79511	0.5
109.02864	0.6
113.11252	0.5
121.10188	0.4
124.05036	1.1
127.03918	1.1
130.04964	1.4
140.03413	1.0
145.04951	0.6
149.04529	0.9
166.07317	0.8
172.06026	0.9
189.06389	0.4
201.06441	1.7
202.07222	1.5
203.08005	2.1
204.08817	7.1
215.08044	2.0
216.08806	100.0
217.09346	3.8
218.10355	5.2
225.06462	9.5
226.07265	3.5
227.07979	1.4
228.08682	0.6
229.09586	0.8
230.10365	9.5
231.10692	0.5
240.08804	53.7
241.09261	2.5
242.10274	0.6
246.09854	6.8
255.09814	0.8
258.09763	2.6
268.08310	5.1
272.11505	3.9
283.09412	1.2
286.09406	0.6
300.10907	50.4
301.11172	1.7
311.08752	0.6
315.11850	1.0
333.13147	2.8
343.11545	1.8
361.12567	6.4
363.17773	0.4
375.14151	6.5
391.27084	0.5
393.15167	39.9
394.15457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57781	0.8
53.03932	2.2
55.01863	1.8
55.05493	1.0
57.03194	0.9
57.03439	7.0
61.02922	5.0
62.98280	0.9
67.05497	3.1
69.03081	1.2
69.03430	18.8
69.07056	1.3
70.06583	2.6
71.01340	1.9
71.04993	4.5
73.02905	2.9
75.04462	3.0
79.05472	2.1
81.03423	7.3
81.07042	2.3
83.04977	1.2
84.08135	1.1
85.02915	7.1
86.09697	3.2
87.00819	1.0
91.05486	8.9
92.05865	0.8
93.07035	1.9
95.04963	1.8
95.08595	2.2
97.02880	3.7
97.06507	2.7
98.97565	2.4
99.04449	6.7
105.07003	3.1
107.04937	2.8
107.08594	2.0
109.02856	3.6
109.10139	2.4
111.04425	1.9
111.08099	0.9
116.98598	2.4
117.05571	0.9
117.06933	0.9
119.04907	1.0
119.08593	1.1
120.08073	1.1
121.10134	1.5
123.00787	0.9
123.04387	1.6
125.09670	1.7
127.03915	6.6
130.20479	0.8
133.06493	1.1
133.07585	1.3
133.10135	1.8
134.99663	1.2
135.04370	1.5
135.08052	0.9
137.05956	2.6
141.01813	1.1
143.08632	0.9
145.04967	2.1
145.06352	1.0
147.04373	4.2
147.08133	0.9
149.09657	1.2
151.03851	1.2
151.07507	0.9
157.10083	0.9
158.99567	1.0
161.07092	2.4
161.09593	0.8
173.05766	1.1
177.00703	0.9
177.05307	0.9
186.06615	1.4
188.08191	21.3
190.09793	0.9
191.07027	1.1
195.07924	1.0
197.11621	0.9
204.10179	1.2
213.03790	1.0
213.09039	0.9
214.06136	2.4
216.07742	1.8
219.01662	1.6
232.07158	12.3
234.08820	4.3
237.02840	2.0
257.04279	1.3
259.08276	54.1
260.08743	1.1
287.05392	1.3
289.08868	1.2
300.16138	1.2
312.13910	1.3
312.64240	1.0
314.17374	0.9
327.07462	1.9
328.07599	1.0
332.18625	1.0
375.12979	2.2
393.13989	100.0
393.66650	1.4
394.14230	4.2
394.22070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
67.05505	1.3
67.11476	0.4
69.07064	0.8
71.58896	0.5
75.95925	0.4
79.05488	1.1
81.03423	3.4
81.07067	0.6
85.02885	0.5
85.06582	0.4
91.05480	8.3
93.07034	0.6
95.04968	0.4
95.08600	1.0
97.02902	0.7
99.04471	2.2
101.50489	0.4
105.07021	0.9
107.04928	0.5
107.08569	0.7
109.02891	3.7
109.10163	0.4
112.65012	0.4
117.07046	0.5
119.04942	18.2
119.08542	0.6
120.05235	0.5
121.10142	0.5
127.03944	2.5
129.07028	0.5
131.08562	0.7
135.32368	0.4
137.05977	1.0
140.71703	0.4
145.10120	0.9
147.04411	100.0
148.04730	3.6
149.02351	0.5
155.75897	0.4
169.03525	0.8
169.04964	16.1
170.05396	0.4
183.11880	0.4
184.07214	0.5
193.05045	1.1
255.06557	1.4
273.07541	3.9
273.22073	0.7
301.21655	1.8
306.01749	0.4
315.08554	2.8
350.66135	0.4
375.25244	1.3
393.17307	0.6
393.26349	1.1
394.25916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.5
65.03925	0.7
65.68682	0.5
66.67949	0.6
67.01866	4.3
69.03433	1.1
70.03658	3.1
71.04989	1.0
79.05444	0.6
81.03443	2.7
81.07039	0.9
85.02914	2.0
90.36069	0.5
91.05469	6.5
93.07049	0.5
93.40667	0.5
95.08594	0.7
97.02900	1.3
97.06532	0.6
98.21462	0.6
98.97559	0.6
99.04461	1.9
105.07038	1.5
109.02873	3.4
117.08707	0.6
119.04944	19.2
120.05260	0.7
124.00340	0.6
127.03925	13.6
137.05956	0.7
147.04410	100.0
148.04778	2.8
169.04991	3.5
174.65869	0.6
243.08794	2.3
247.08015	0.6
255.06641	1.4
271.04190	0.7
273.07596	7.2
307.11398	1.7
349.12570	15.0
350.13162	0.9
393.11551	68.6
393.16800	2.2
394.11893	4.2
402.55515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.06840	0.1
65.03924	0.6
67.01861	4.3
67.05496	0.2
69.03419	0.4
69.45894	0.1
70.59317	0.1
71.05000	0.7
81.03413	1.7
81.07064	0.2
83.04952	0.1
85.02899	0.7
91.05476	6.5
97.02888	0.7
97.06509	0.2
99.04443	1.5
107.04927	0.2
109.02873	3.1
109.06524	0.1
119.04935	18.3
120.05320	0.2
127.03912	11.9
128.04187	0.2
132.37595	0.1
147.04401	100.0
148.04738	2.1
151.82945	0.1
165.05449	0.3
169.04951	2.6
213.05510	0.2
227.07037	0.3
229.05045	0.2
245.04292	0.2
245.08139	0.2
255.06487	1.2
257.04437	2.0
273.07562	8.4
274.08020	0.3
276.72803	0.1
287.05472	0.1
393.09354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.69295	0.9
56.96560	1.4
57.03437	1.5
61.06922	1.0
67.05502	1.5
68.82119	0.9
69.03426	1.1
70.98987	2.7
81.03412	3.7
81.07071	1.4
81.99213	0.9
84.04511	1.0
85.02911	1.4
91.05485	8.2
93.07048	1.1
95.04968	1.1
95.08665	1.6
95.74870	1.0
99.04454	2.9
107.08594	0.9
109.02892	4.9
119.04945	17.7
121.06511	1.0
122.06034	1.1
127.03918	4.0
129.07011	1.1
137.06018	2.9
147.04411	100.0
148.04726	2.2
154.98669	1.2
169.04976	15.2
193.44949	0.9
197.33517	0.9
201.00516	1.1
230.44501	1.0
271.07144	1.0
273.07571	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	393.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
53.31215	0.4
55.05507	0.7
57.03422	0.4
62.67850	0.3
65.03941	0.8
67.01839	0.8
67.05489	1.2
68.99792	0.6
69.03418	1.6
69.07073	0.6
70.72771	0.4
71.04989	1.2
71.58112	0.4
71.58498	0.4
73.02905	0.5
79.05482	0.8
81.03411	4.8
81.07048	1.4
83.04989	0.5
85.02895	2.2
85.06528	0.6
86.09715	1.0
91.05477	7.9
93.07040	0.5
95.04937	0.8
95.08612	0.8
96.33292	0.5
97.02895	1.5
97.06512	1.2
99.04438	2.3
105.07020	1.3
107.04922	0.7
107.08596	1.3
109.02875	4.4
109.10152	1.3
111.04424	0.5
111.08097	0.5
112.79467	0.4
119.04942	19.4
119.08568	0.7
120.05290	0.6
120.08109	0.5
121.06474	0.6
121.10151	1.0
127.03920	6.8
129.06975	0.5
131.04892	0.4
131.08565	0.6
133.10124	0.7
135.04439	0.8
137.05928	1.2
140.53181	0.4
143.08557	0.5
147.04407	100.0
147.11723	0.6
148.04747	3.2
153.03142	0.4
157.10112	0.6
159.08060	0.5
161.09627	0.8
169.04958	12.0
170.05290	0.5
171.13779	0.5
175.11217	0.4
177.05493	0.5
185.09700	0.5
199.18042	0.5
213.09062	0.4
217.12109	0.5
231.05055	0.5
255.06561	1.0
273.07587	4.5
276.94455	0.4
315.08603	2.3
334.20056	0.6
370.67450	0.4
376.21185	0.5
393.10034	0.7
393.14468	0.7
393.18826	0.9
393.23242	0.9
394.22327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
65.03925	0.5
67.01852	1.3
68.99791	0.3
81.03413	2.8
88.18201	0.3
91.05482	6.7
98.20722	0.7
99.04443	2.4
109.02875	3.6
119.04948	20.2
120.05257	0.3
127.03929	4.3
147.04411	100.0
148.04762	2.9
150.80846	0.3
169.04974	10.9
229.27495	0.3
254.29372	0.4
255.06465	1.7
273.07584	5.6
315.08636	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	393.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.98296	0.4
58.18663	0.4
62.72641	0.4
65.03935	1.0
67.01855	1.4
69.03385	0.5
69.05383	0.4
71.14661	0.9
81.03418	3.3
81.07063	0.8
85.02895	0.7
91.05482	6.5
93.06999	0.6
95.05040	0.4
97.02911	2.2
99.04440	1.9
107.49451	0.4
109.02879	2.9
119.04943	18.4
123.03017	0.3
127.03926	4.8
133.10155	0.5
137.05965	0.7
147.04414	100.0
148.04739	2.7
157.06535	0.5
165.76901	0.4
169.04973	9.8
170.61868	0.4
186.06441	0.4
186.13655	0.4
255.06665	1.2
273.07565	4.0
315.08490	1.3
371.04398	0.5
372.89328	0.4
393.10214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05495	0.3
60.13620	0.2
65.03937	0.5
67.01865	1.3
67.05502	0.5
69.03418	0.6
69.07071	0.4
71.04984	0.5
74.91293	0.2
79.05489	0.3
81.03423	2.9
81.07056	0.7
83.08611	0.3
85.02886	0.6
91.05481	6.8
93.07043	0.6
95.04950	0.3
95.08621	0.5
97.02893	1.6
99.04462	1.9
105.06997	0.5
107.08533	0.3
109.02882	3.4
119.04946	18.5
119.08582	0.3
120.05305	0.5
127.03926	4.9
131.08618	0.3
137.06000	0.6
147.04411	100.0
148.04723	2.6
169.04961	10.1
177.09120	0.4
181.10530	0.3
187.07555	0.5
229.26990	0.3
255.06496	1.3
257.04584	0.4
273.07553	4.3
283.09982	0.3
315.08649	1.4
358.20267	0.4
393.17667	0.3
393.22629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19730	0.1
53.03944	0.3
54.00418	0.2
55.05496	0.2
57.03431	0.2
65.03946	0.5
67.01868	3.8
69.03415	0.2
70.90037	0.3
70.90391	0.4
71.04987	0.8
81.03413	1.6
81.07022	0.3
85.02898	1.0
88.00554	0.2
91.05481	5.9
97.02888	0.5
99.04453	1.4
105.07013	0.2
109.02882	3.2
114.02945	0.2
119.04948	17.6
120.05299	0.5
127.03918	12.3
128.04254	0.3
137.05981	0.2
145.10023	0.2
147.04413	100.0
148.04747	2.7
168.94685	0.2
169.04973	3.4
176.15947	0.2
198.37993	0.2
245.08022	0.2
255.06512	1.0
256.06839	0.3
273.07584	7.9
274.07837	0.4
349.76117	0.2
393.11325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.18721	0.2
55.05490	0.3
57.03431	0.3
57.29678	0.3
65.03938	0.5
67.01858	2.6
67.05517	0.6
69.03412	0.6
69.07056	0.7
71.04975	0.9
71.58531	0.5
77.00892	0.3
79.05481	0.5
81.03405	2.8
81.07046	1.2
84.04515	0.5
85.02872	0.5
91.05481	7.2
93.07066	0.5
95.04953	0.6
95.08559	0.5
97.02879	0.5
99.04439	2.0
105.06960	0.3
107.08595	0.5
109.02876	3.5
119.04940	18.4
119.08548	0.6
120.05287	0.5
121.10146	0.3
127.03910	8.5
128.16466	0.3
129.06998	0.4
133.10132	0.4
137.05984	1.1
138.06390	0.3
142.07686	0.3
147.04405	100.0
148.04733	2.4
149.73273	0.3
157.41281	0.3
161.09709	0.4
168.39934	0.3
169.04973	6.5
175.11169	0.4
216.11479	0.4
217.08540	0.4
255.06520	1.0
272.14197	0.6
273.07593	7.5
280.17755	0.3
315.08569	0.8
334.19385	0.6
352.20547	1.7
370.21329	0.6
393.13235	0.5
393.22662	0.7
393.27499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03949	0.4
54.89964	0.1
63.02394	0.2
65.03919	0.6
67.01871	4.0
69.03436	0.3
69.07076	0.1
70.24379	0.4
71.04997	0.6
81.03423	1.8
85.02920	0.6
91.05486	6.1
93.07037	0.1
95.04977	0.2
97.02927	0.5
97.04883	0.1
99.04459	1.5
105.07026	0.1
107.04977	0.3
107.08560	0.1
109.02885	3.0
119.04951	19.6
120.05286	0.5
127.03926	12.2
128.04237	0.2
147.04417	100.0
148.04756	2.9
165.05545	0.3
169.04987	2.8
193.49527	0.1
213.05453	0.3
245.08034	0.2
253.75214	0.1
255.06552	1.4
257.04474	1.3
273.07590	8.1
274.07904	0.5
393.09418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32705	0.1
53.03946	0.5
55.62719	0.1
57.42126	0.1
60.58212	0.1
65.03937	0.7
66.04471	0.1
67.01868	0.9
67.05477	0.1
68.99780	0.4
69.03433	0.3
71.04988	0.3
79.05487	0.1
81.03423	3.2
81.07066	0.2
81.25347	0.1
85.02931	0.2
91.05483	7.8
92.05815	0.2
93.07053	0.2
95.04995	0.2
95.08627	0.1
97.02907	0.1
98.21498	0.4
99.04454	2.4
99.05103	0.2
109.02128	0.2
109.02881	3.7
109.10207	0.1
117.88757	0.1
119.04947	21.4
120.05275	0.4
127.03922	3.6
147.04414	100.0
148.04752	2.3
157.06541	0.2
169.04971	14.4
170.05324	0.3
171.92947	0.1
187.07550	0.2
193.15018	0.1
202.77109	0.1
255.06596	1.6
273.07599	4.5
274.08084	0.3
315.08600	2.0
393.10757	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	393.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01878	0.3
56.96554	0.3
57.03452	0.2
65.03942	0.7
67.01884	1.5
67.05501	0.5
68.99792	0.3
69.03426	0.5
69.68796	1.0
69.69213	0.4
71.05001	0.4
79.05479	0.3
81.03424	3.5
81.07051	0.5
81.17801	0.2
83.05016	0.2
85.02900	1.1
91.05485	8.2
92.05805	0.2
93.07021	0.4
94.06509	0.2
95.04964	0.7
95.08599	0.2
97.02883	0.7
97.06511	0.2
98.21395	0.3
99.04464	2.7
105.06994	0.3
107.04974	0.2
107.08588	0.3
109.02142	0.2
109.02880	3.5
109.10171	0.2
111.04498	0.3
111.08075	0.2
117.06989	0.3
119.04949	19.8
119.08570	0.3
120.05240	0.4
121.06529	0.2
121.32228	0.2
122.06070	0.2
123.04436	0.2
123.08160	0.2
127.03927	6.2
131.08571	0.3
133.10178	0.3
135.04437	0.2
137.05988	0.7
145.10046	0.3
147.04416	100.0
148.04764	2.3
157.06535	0.3
157.10066	0.2
161.06042	0.2
161.09566	0.2
169.04973	12.4
170.05243	0.2
184.07301	0.2
185.05977	0.3
229.64772	0.2
231.13641	0.2
255.06497	1.3
257.04370	0.4
273.07584	5.5
276.60037	0.2
300.15970	0.2
315.08682	1.6
393.10083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1162
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
55.05479	0.5
65.03925	0.7
65.68682	0.5
66.67949	0.6
67.01866	4.3
69.03433	1.1
70.03658	3.1
71.04989	1.0
79.05444	0.6
81.03443	2.7
81.07039	0.9
85.02914	2.0
90.36069	0.5
91.05469	6.5
93.07049	0.5
93.40667	0.5
95.08594	0.7
97.02900	1.3
97.06532	0.6
98.21462	0.6
98.97559	0.6
99.04461	1.9
105.07038	1.5
109.02873	3.4
117.08707	0.6
119.04944	19.2
120.05260	0.7
124.00340	0.6
127.03925	13.6
137.05956	0.7
147.04410	100.0
148.04778	2.8
169.04991	3.5
174.65869	0.6
243.08794	2.3
247.08015	0.6
255.06641	1.4
271.04190	0.7
273.07596	7.2
307.11398	1.7
349.12570	15.0
350.13162	0.9
393.11551	68.6
393.16800	2.2
394.11893	4.2
402.55515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
65.03947	0.5
67.01868	4.0
67.02235	0.2
69.03419	0.4
70.06586	0.2
71.04987	0.8
71.11433	0.3
81.03416	1.6
81.07056	0.2
85.02912	0.8
91.05482	6.2
97.02904	0.7
98.97656	0.2
99.04442	1.6
105.07050	0.5
107.04980	0.5
108.63020	0.1
109.02881	3.5
119.04948	20.1
120.05277	0.5
121.10153	0.2
123.04426	0.2
127.03922	11.3
128.04276	0.2
135.04428	0.1
135.08189	0.2
137.06044	0.2
147.04414	100.0
148.04750	3.2
149.84595	0.1
157.10085	0.1
165.05502	0.4
169.04973	2.4
187.07541	0.1
192.79338	0.1
210.34344	0.1
213.05502	0.3
213.09225	0.1
232.22708	0.1
245.04454	0.2
255.06558	1.1
257.04269	0.3
273.07581	7.4
274.07874	0.3
280.24762	0.2
287.05606	0.2
291.14163	0.2
393.09790	0.3
393.18585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.1
55.05516	7.9
57.07083	6.6
65.03957	3.0
67.05509	13.9
69.07072	7.8
70.44895	3.2
71.08646	5.8
79.05482	19.0
81.07060	28.6
83.04984	4.3
83.08633	3.1
85.06566	3.3
91.05482	23.8
91.05911	2.3
93.07054	32.1
95.04973	27.5
95.08628	16.5
97.06558	6.0
97.52090	2.1
105.07035	50.8
107.08609	23.2
109.06570	6.2
109.10145	11.1
116.06319	2.4
117.07068	9.2
119.04996	2.9
119.08588	43.0
119.09348	3.2
121.06581	7.0
121.10147	21.3
122.25877	1.9
123.08080	4.8
125.09682	2.9
128.06267	7.9
129.07033	9.8
130.07838	8.1
131.08582	17.9
133.10156	15.1
135.08093	4.5
135.11681	4.4
141.07040	4.5
142.07796	13.1
143.08582	24.9
144.09406	6.7
145.10133	35.1
147.08086	5.1
147.11749	8.9
149.02339	33.6
149.09717	4.5
155.08580	11.5
156.09322	9.6
157.10127	25.9
158.10887	3.2
159.08160	6.0
159.11736	11.5
161.09731	7.7
165.07030	5.1
167.03416	4.2
167.08635	5.5
168.09413	4.1
169.10138	17.0
169.96663	2.2
170.10895	2.4
171.10497	2.5
171.11668	13.1
173.09711	3.7
173.13281	9.9
175.11272	4.2
175.14967	2.1
178.07858	4.8
179.08641	6.6
180.07799	2.2
180.09410	5.9
181.10081	12.9
182.11009	6.6
183.08012	2.5
183.11685	17.1
184.07414	2.6
185.09608	3.1
185.13362	6.4
187.11249	2.7
191.14355	4.0
192.09351	4.6
193.10144	11.0
194.10953	8.9
195.11720	15.9
196.12523	4.4
197.13277	13.3
199.11281	5.8
199.14868	6.0
201.12781	3.6
205.10289	2.8
206.11052	6.6
207.11687	11.2
208.12485	5.4
209.13335	14.9
210.13872	2.9
211.11220	4.5
211.14931	7.9
217.10242	3.0
217.15955	2.5
219.11758	4.9
220.12489	4.8
221.13245	11.0
223.11282	3.4
223.14922	9.4
225.12808	2.6
225.16586	2.1
227.14407	3.7
229.15923	2.3
231.11749	3.6
232.12494	2.5
233.13361	6.5
233.15482	4.4
233.93106	2.2
234.14153	3.4
235.14850	7.7
236.15665	3.4
237.12790	2.4
239.14418	3.1
243.11839	4.2
245.13507	3.1
247.15051	6.3
249.16490	11.9
251.17992	4.5
253.19640	2.8
255.17346	2.3
259.14905	3.8
261.16440	3.1
263.18051	5.8
264.18799	2.3
267.17404	5.1
269.19183	4.2
273.16476	4.4
275.18030	4.8
277.19522	3.8
279.17709	3.4
281.19229	2.8
282.19958	9.4
284.15591	2.3
289.19788	2.5
291.17587	4.8
295.20657	3.2
297.18604	5.3
308.21384	2.7
335.20200	4.9
354.79419	2.1
355.24280	3.5
373.25177	15.7
391.15463	3.6
391.26285	100.0
391.36234	3.4
392.26663	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.6
57.07070	1.4
58.07396	0.4
61.74919	0.3
67.05505	0.4
69.95094	1.8
70.06594	2.9
71.06913	0.8
71.08624	1.2
77.76680	0.3
78.59643	0.3
79.05503	0.5
81.07065	0.5
86.09687	0.6
88.07604	0.8
88.11697	0.3
88.86554	0.3
93.07008	0.6
95.04996	0.4
95.08592	0.5
97.02888	0.3
102.09144	0.4
105.07020	0.5
107.08546	0.5
132.10199	1.6
133.10442	0.5
146.11778	1.3
147.12070	0.6
149.02357	4.2
167.03371	1.0
206.11627	0.3
233.36433	0.3
240.27014	0.4
284.29401	0.5
285.29797	1.5
321.16858	0.6
328.32037	1.7
329.32419	6.6
350.17276	0.5
368.18338	0.6
390.35846	1.2
391.24554	100.0
391.35895	20.7
392.24893	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.96563	0.7
57.07065	1.3
58.07366	0.4
67.05489	0.7
69.07061	0.4
70.01801	1.7
70.06591	2.1
71.06909	0.3
71.08624	1.2
81.07044	0.8
85.02934	0.3
86.09694	0.6
88.07629	0.8
93.07014	0.8
93.63075	0.3
102.09161	0.6
105.07042	0.4
107.08549	0.4
109.10130	0.4
119.08597	0.3
121.02795	0.4
125.00020	0.3
132.10193	1.2
133.10497	0.4
145.10052	0.3
146.11761	1.0
147.11923	0.4
149.02356	4.4
167.03447	0.6
225.07765	0.4
279.04245	0.3
284.29660	0.5
285.10062	0.4
285.29871	1.8
317.19797	0.4
321.16699	1.0
328.32117	1.3
329.32431	7.7
349.17236	0.3
350.17078	0.3
367.18109	0.3
368.18243	0.7
369.19717	0.5
390.35794	1.6
391.24570	100.0
391.35956	21.1
392.24863	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
56.96579	1.3
57.07062	2.1
66.90401	0.7
67.05503	1.9
67.11620	0.6
69.03419	1.2
69.07069	0.8
71.08630	2.2
71.20083	1.8
79.05460	1.3
81.07037	2.2
86.09676	1.2
91.05466	1.7
93.07037	1.8
95.08601	1.7
105.07043	0.8
121.10181	0.8
145.10135	0.7
149.02344	12.8
167.03340	1.8
285.10239	1.1
391.24545	100.0
391.35803	3.3
392.24921	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	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	1.1
56.96567	18.3
67.05488	0.7
69.07037	0.5
71.32285	0.7
71.95268	2.5
74.97606	0.9
79.05061	0.9
79.05496	12.7
84.96024	0.8
87.68642	0.5
91.05467	1.7
93.07050	0.7
95.04977	0.9
98.97585	1.1
102.87727	0.4
103.00693	0.7
105.07016	1.3
105.36147	0.5
107.08590	2.6
109.06500	0.5
110.97582	1.7
115.00695	0.7
116.98607	1.5
121.01728	0.6
123.01230	0.7
128.98607	3.8
133.01715	0.8
134.99664	1.1
138.86928	0.5
141.02234	0.8
146.99657	6.3
147.03285	0.9
149.01215	1.1
149.02332	0.7
155.03816	1.5
157.01683	0.8
159.03275	0.8
161.01201	1.2
165.00734	1.9
169.01654	0.6
169.05370	1.2
171.03281	1.2
173.04871	2.8
175.02740	1.0
184.04071	0.8
185.04921	1.5
187.02803	0.8
189.04356	3.2
191.05914	2.4
195.06943	0.9
197.04771	1.1
197.08385	0.6
199.02780	1.0
199.06418	3.8
201.04376	0.9
201.08060	0.9
202.05170	1.2
203.05914	3.7
207.03275	1.1
213.04472	0.5
215.09642	0.6
217.07475	4.1
219.09108	0.9
221.06856	0.6
222.08029	0.6
223.02779	0.6
223.06371	0.6
225.04327	3.8
225.07921	1.0
229.07462	1.3
235.06422	0.5
235.58772	0.5
239.06055	0.7
239.09599	0.7
239.87230	0.5
241.07434	1.3
243.05360	1.2
243.06693	0.6
243.09041	6.9
244.06108	0.6
247.08438	1.3
248.05916	0.6
253.07370	0.7
255.09029	2.2
261.10022	5.6
266.10529	1.2
268.09869	1.7
269.10641	0.7
273.10095	2.1
278.10733	0.8
280.09750	0.7
281.10623	0.7
284.11761	0.8
286.10934	1.0
291.04639	0.7
296.11874	0.6
298.10794	0.7
313.14917	0.9
319.12042	0.5
329.14203	0.7
331.15784	42.8
332.16202	2.3
344.07455	1.5
347.15240	1.4
349.16870	100.0
350.17230	5.7
367.13687	0.9
367.17972	14.0
368.18359	1.0
372.18472	23.6
373.18875	1.9
390.07953	3.3
390.19244	3.4
390.57294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	1.8
56.96564	28.2
57.07070	1.7
61.02895	1.2
63.04898	1.1
64.01031	1.3
69.79333	3.9
71.95270	3.5
72.96050	1.6
74.97626	1.8
79.05495	7.3
81.03432	1.4
81.07063	2.1
85.02909	1.9
91.05500	1.5
93.07053	1.8
95.04949	2.1
95.08599	1.9
98.97591	2.4
103.86804	1.1
107.08630	1.8
109.10117	1.2
114.26853	1.2
116.98602	1.6
123.01123	1.4
125.08881	1.3
128.98599	5.5
134.99600	1.5
146.99648	9.8
149.01254	1.7
149.02345	1.6
154.52399	1.0
161.01233	2.3
165.00821	2.2
170.01239	1.3
171.03346	3.1
173.04868	2.3
175.02788	1.5
185.04884	2.6
189.04385	3.4
191.05867	1.8
196.11205	1.2
197.04825	1.2
199.06514	5.0
203.06000	4.0
205.07390	2.2
211.02737	1.5
213.07956	5.9
215.09567	1.4
217.07469	8.4
223.02773	3.6
223.08492	3.6
225.04297	2.3
225.07959	2.7
229.07458	5.6
231.09038	9.0
237.04367	1.8
239.09557	1.7
241.03790	2.1
243.09052	7.1
247.08539	5.5
254.10582	1.4
255.09096	3.7
256.26205	1.4
261.10117	9.3
266.10751	1.9
267.09064	3.0
273.10123	3.4
279.09009	1.8
280.09769	5.5
284.11398	1.2
293.07095	1.4
293.14435	1.1
297.10199	1.7
297.13797	1.1
298.10852	4.1
303.11206	1.5
305.14313	1.7
311.08020	3.2
319.16193	1.2
323.15369	1.9
331.15771	32.3
332.16223	1.6
344.07349	1.2
349.13507	4.4
349.16876	100.0
350.17099	5.3
367.14148	14.4
367.18005	33.8
368.18289	2.2
372.18533	18.1
373.18640	1.6
385.15405	7.7
390.07977	3.5
390.15311	2.2
390.19785	13.2
390.24182	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.96569	32.0
62.01510	0.5
64.87009	0.5
66.68575	0.6
67.05531	0.7
71.32628	1.3
71.32965	0.5
71.64416	0.5
71.95280	3.5
72.96046	0.7
74.97636	1.5
76.20144	0.5
79.05495	6.9
81.03420	0.7
84.96036	1.4
85.02859	0.5
86.34364	0.8
91.05486	1.0
92.98684	0.7
93.07066	0.8
97.96838	0.6
105.07021	1.0
107.08607	0.7
110.97589	1.6
115.97803	0.8
116.98589	1.0
123.01228	1.1
128.98602	4.4
131.00194	0.7
133.01736	1.2
140.98465	0.6
141.02234	1.0
143.00092	0.7
145.01747	0.9
146.99666	6.5
147.03343	1.2
149.01204	0.8
149.02295	0.6
151.00685	0.7
153.99194	0.8
155.03815	1.3
157.01758	0.7
159.03242	0.8
161.01176	0.9
165.00775	1.4
165.04291	0.5
167.03889	0.8
169.01692	1.5
171.03279	1.6
173.04852	1.9
175.02713	0.7
177.02104	0.9
179.02249	0.6
181.05203	0.5
183.03215	0.7
185.04942	1.1
187.02806	2.2
187.06416	0.9
189.04411	1.5
191.03896	0.6
191.05896	1.6
193.03835	0.8
195.06924	1.3
197.04778	1.4
199.06436	1.7
201.04355	0.9
201.07945	0.9
203.05901	1.6
207.07066	0.7
209.04933	0.7
211.06377	0.9
217.07437	3.2
219.09135	1.2
221.04938	0.6
221.08540	0.7
223.02773	1.0
223.06346	0.6
225.07951	2.4
229.07524	1.3
235.06396	0.8
239.09515	1.2
243.09039	5.3
247.08345	1.0
249.00035	0.5
249.22813	0.7
251.09515	1.4
253.11203	1.2
255.09068	1.6
257.10696	1.5
261.10208	4.2
265.11014	1.0
266.10648	0.9
269.10657	1.4
271.12094	1.0
273.10013	1.0
277.11121	12.1
279.12518	0.8
291.12708	2.0
293.10580	0.5
295.12180	3.5
300.12711	2.1
301.11206	0.7
305.10681	0.6
309.13858	0.6
313.14700	3.7
329.14285	1.2
331.15796	55.1
332.16086	3.2
347.15253	1.7
349.13577	4.4
349.16876	100.0
350.17285	5.9
354.17404	3.5
367.18002	5.1
372.13678	1.1
372.18457	23.1
373.18695	1.7
390.08359	0.6
390.19089	1.1
390.24225	1.3
390.33417	1.2
398.08929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01865	0.5
53.03954	0.8
55.01873	0.7
55.05514	0.7
61.02917	1.7
67.05509	1.1
68.99776	2.6
69.03436	4.2
69.07068	4.0
70.06564	0.8
71.04999	0.6
71.17020	1.5
72.08153	0.6
79.05475	1.8
81.03401	2.3
81.07064	5.1
82.06549	0.7
84.04485	1.0
85.02435	0.8
85.02910	12.7
86.03220	0.6
86.06062	0.9
86.09685	1.6
87.04465	0.8
89.03875	0.7
91.05477	1.6
93.07034	2.1
94.06556	0.9
95.04962	1.6
95.08618	3.9
96.08124	1.9
97.02888	5.7
97.06522	2.0
98.97585	0.7
99.04446	1.3
105.07008	0.7
107.04967	10.1
107.08585	1.0
108.08080	1.4
109.02843	1.9
109.06475	1.0
109.10139	0.7
110.09660	2.1
111.04424	1.0
111.08090	11.5
111.54785	0.5
116.27847	0.5
116.98608	0.6
119.04977	0.8
119.08583	1.9
121.06521	1.1
121.08931	0.6
121.10149	0.5
122.06019	1.5
123.08055	2.3
124.07603	12.4
125.06001	1.2
127.03922	3.0
133.06439	0.7
135.04353	1.1
135.31068	0.5
136.03929	2.1
136.07590	0.7
136.11235	4.2
137.05942	2.6
137.09647	3.2
138.09140	11.3
139.03998	0.7
139.07547	37.0
140.07060	14.0
142.08591	2.7
145.02794	0.7
145.04958	2.6
146.05795	0.5
146.09605	0.7
147.04393	1.6
147.08041	1.8
150.09100	0.7
151.07539	0.8
152.07053	0.7
154.08624	1.6
154.12309	0.6
155.07037	1.2
156.08986	0.9
156.10205	12.1
163.03864	2.2
164.03430	1.2
164.10739	2.7
165.09122	17.6
167.07057	1.4
168.07843	0.9
168.10147	1.0
174.09053	0.9
177.05411	0.9
182.11778	15.0
183.10185	3.2
192.10194	6.1
193.08617	3.6
210.11267	9.8
211.09647	10.4
211.11487	0.9
228.12315	100.0
229.12680	2.7
234.98923	0.9
284.59027	0.8
289.82550	0.6
303.05307	0.8
390.18323	4.3
391.09940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	34.1
67.05504	0.6
71.55751	0.9
71.95274	3.4
74.97604	1.6
79.05062	0.6
79.05497	6.8
80.05845	0.6
84.31045	0.4
84.96008	1.5
91.05482	1.1
97.96812	0.9
98.97598	1.1
103.00719	0.7
105.00130	0.7
107.08562	1.0
108.74540	0.5
110.97586	1.6
115.97855	0.9
116.98529	1.4
121.01730	0.9
123.01179	1.1
128.98607	5.6
133.98865	0.7
134.99840	0.5
137.05942	0.5
140.98433	1.1
141.02194	1.2
146.99641	6.3
147.03297	1.4
149.02325	1.7
155.03825	1.7
157.01678	0.9
159.03310	0.7
161.01210	1.4
165.00746	1.8
169.01735	2.4
169.05357	1.2
170.01286	0.8
171.03285	2.0
173.04865	1.8
175.02811	0.8
177.02066	1.3
183.03299	1.1
185.04866	1.2
187.02788	2.5
189.04344	1.9
189.06024	0.6
191.03954	0.6
191.05936	1.5
195.03366	0.5
197.04764	1.1
199.02779	0.9
199.06425	2.5
200.36583	0.5
201.04314	0.6
203.05907	2.5
203.07497	0.6
205.05402	0.6
207.06946	0.8
209.04860	0.9
213.08058	0.7
217.05673	0.7
217.07472	3.6
221.08623	0.9
223.02850	1.0
223.06468	0.9
225.04369	0.6
225.08022	1.4
229.07518	1.4
231.09070	1.0
235.06467	1.1
237.07819	0.8
239.09550	1.3
241.07452	0.6
243.09105	6.3
249.07890	0.5
251.09543	0.9
253.11198	1.2
255.09056	1.1
257.10675	1.0
259.10114	1.0
261.10190	3.8
265.11090	1.5
266.10767	0.9
267.08969	0.9
271.12225	0.6
273.10144	0.9
275.09567	0.5
277.11136	12.5
291.12677	1.0
293.14188	0.8
295.12143	4.0
300.12738	1.2
307.16217	0.6
309.14053	0.8
313.14850	3.8
319.12241	0.7
329.14194	1.4
331.15811	53.8
332.16153	3.4
344.40622	0.6
347.15359	1.2
349.13641	3.9
349.16885	100.0
350.17212	5.8
354.17328	3.2
367.17770	4.2
372.18478	24.4
373.18808	1.8
390.08047	0.7
390.19165	0.8
390.33966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01882	0.8
55.05502	1.7
56.96556	1.8
61.02919	1.9
67.05497	2.1
68.05054	1.0
68.99783	1.8
69.03426	5.3
69.07055	4.3
69.49800	0.6
70.06577	1.0
71.05000	1.2
71.50480	0.9
72.08115	0.9
73.02919	1.2
79.05492	4.3
80.05012	0.8
81.03406	2.2
81.07056	17.9
82.06574	1.0
83.04974	0.9
84.04480	0.8
84.08117	0.7
85.02905	13.3
85.06552	1.0
86.09695	1.6
91.03933	1.0
91.05460	0.9
93.07040	2.2
93.14454	0.6
94.06560	1.9
95.04948	1.6
95.08592	2.9
96.08155	3.5
97.02895	4.5
97.06503	3.6
98.06120	0.7
99.04488	1.8
105.07025	1.7
107.04964	9.9
107.08595	1.0
108.04513	0.8
108.08161	1.8
109.02869	2.0
109.06495	1.8
109.10118	0.9
110.07127	0.7
110.09673	1.6
111.08084	11.6
113.06019	1.1
116.98576	1.1
119.08564	2.7
120.08089	0.8
120.18170	0.7
121.06490	1.1
121.10142	1.0
122.06025	2.4
123.04440	0.8
123.08081	3.4
124.07594	30.1
125.05981	0.9
127.03915	2.8
135.04401	1.6
136.03902	1.9
136.07559	1.4
136.11227	4.7
137.05986	3.8
137.09590	3.0
138.09137	10.3
139.07539	35.4
140.07057	16.8
140.08087	1.3
142.08633	2.9
145.04933	2.0
147.04433	1.0
147.08046	2.0
151.07693	0.8
152.07054	1.0
154.08607	0.9
154.12222	0.9
156.10205	13.4
163.03973	3.4
164.03424	0.8
164.10709	3.4
165.05455	1.6
165.09126	16.5
167.07069	0.8
177.05475	1.5
182.11769	12.9
183.10190	3.3
183.11655	0.6
183.20546	0.7
184.07596	0.7
185.71207	0.7
192.10228	5.2
193.08585	4.1
210.11263	9.4
211.09628	10.9
211.11494	1.2
219.01802	1.0
228.12311	100.0
228.36913	0.7
229.12625	1.8
234.98967	2.6
303.05246	2.0
372.16580	1.3
390.13757	1.2
390.18130	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05499	0.9
56.96555	0.6
58.22986	0.3
67.05505	0.8
69.03432	1.4
69.07069	0.4
70.06589	0.8
71.04990	0.4
71.56684	0.5
79.05495	4.4
80.05028	1.3
81.03416	1.2
81.05797	4.0
81.07065	2.8
83.04983	0.6
84.04519	0.3
84.08142	0.6
85.02904	1.9
86.09697	0.5
87.00828	0.4
91.05487	1.3
93.07017	0.4
94.06576	1.6
95.04987	0.5
96.08132	16.2
97.02881	0.9
97.06500	0.5
97.08438	0.3
98.97594	0.5
105.07040	0.6
106.06556	1.8
107.04963	0.8
108.04494	0.4
109.02863	0.8
109.06515	0.3
116.98649	0.5
119.04910	0.8
119.98837	0.3
122.06030	1.9
123.06368	0.7
123.08070	0.4
124.07593	100.0
125.06009	1.4
125.07956	1.9
127.03901	1.2
130.06673	0.3
131.08635	0.4
133.06480	0.5
133.10246	0.3
134.99670	0.4
136.03960	1.1
137.05972	0.5
137.09671	0.3
142.08635	1.1
143.07118	0.3
145.04991	0.5
147.04411	1.8
147.08015	0.3
149.02339	0.4
149.06024	0.3
151.07614	0.3
153.12839	0.3
164.03458	1.1
165.09111	0.8
177.00760	0.4
177.05519	0.4
181.05150	0.3
193.08627	0.4
196.05956	0.3
210.15846	0.3
213.19901	0.2
228.06763	0.5
228.08951	1.2
228.12178	0.5
229.10652	0.4
310.12045	0.3
311.78799	0.3
368.06622	0.3
390.14517	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
56.96331	0.8
56.96566	8.8
57.03427	1.2
67.05506	4.9
69.03435	1.0
69.07065	1.7
71.04987	0.9
71.58493	1.0
79.05482	2.8
81.03399	1.1
81.07066	3.7
91.05466	1.7
93.07018	2.2
93.35816	0.7
95.04961	1.0
95.08590	2.6
105.07014	1.2
107.08559	1.9
109.10131	1.7
119.08571	1.8
121.00483	1.8
121.10151	1.2
131.80682	0.7
137.05942	1.0
144.06544	1.7
149.02348	4.3
155.03749	1.0
167.07048	0.9
177.00281	2.6
193.05060	3.4
197.01225	1.0
199.06406	1.2
208.02136	1.1
211.06439	1.0
213.07970	1.1
217.02576	2.9
217.07489	3.3
229.07451	7.5
231.09087	3.6
243.09068	2.6
246.34273	0.7
247.08484	7.2
252.04906	1.0
252.09151	1.7
261.10117	2.0
267.09109	0.7
267.69821	0.9
285.09903	0.9
320.09116	3.7
320.59448	0.8
331.15744	1.0
340.60422	1.4
349.16855	8.9
350.18298	0.8
367.17947	5.4
385.09256	1.5
389.22980	100.0
390.19058	1.8
390.23566	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	390.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96524	1.2
58.99584	1.2
75.34058	0.2
79.05465	0.3
86.98995	0.6
88.96246	0.2
98.20728	0.7
107.04887	0.3
202.07823	0.6
223.04477	1.2
231.08035	6.6
235.05647	0.4
243.09108	0.8
245.04160	0.6
247.07475	1.1
255.08261	0.6
256.07639	0.4
257.03809	0.5
257.05927	0.9
257.08344	0.5
258.06793	3.9
258.09244	0.4
259.07562	6.5
261.10117	0.3
263.05273	7.5
264.05487	0.3
273.03705	2.3
273.06323	0.5
273.09076	0.3
274.04355	0.6
275.05167	0.7
282.09143	0.3
283.09891	0.6
284.07050	2.3
285.07867	1.6
286.08636	4.2
287.09009	0.4
289.06476	0.3
290.06390	0.6
291.04752	23.6
292.05029	1.0
293.08130	0.6
294.09140	0.9
297.05994	0.3
298.06598	2.9
300.04721	1.0
300.10208	0.7
301.05640	2.3
302.06381	0.4
310.08636	6.9
310.12308	0.4
311.09384	3.5
312.10025	1.2
313.10858	0.3
315.07068	1.6
316.07916	6.8
317.05209	1.5
318.05853	10.5
319.06049	0.4
326.06339	4.5
327.06848	0.4
330.05917	1.1
331.06561	0.5
331.15714	1.2
343.06613	0.3
344.07404	51.3
345.07751	3.0
346.09024	0.5
349.16882	3.9
367.17883	1.1
372.07193	0.3
372.18414	0.7
390.07950	100.0
391.08234	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Icariside B5
Peak:m/z	Relative Intensity
54.70361	3.2
55.05520	7.8
56.96558	5.4
57.03424	12.3
59.04991	2.9
61.02926	4.3
66.05573	3.1
67.05498	9.1
68.71953	3.5
69.03431	24.5
69.07078	15.4
70.06588	3.6
71.04991	14.1
71.59570	4.6
73.74692	3.6
74.23083	3.2
79.05490	9.6
81.03399	9.3
81.07046	20.5
83.04982	6.2
83.08628	4.1
85.02905	46.3
85.06551	7.5
86.03244	5.4
86.09727	5.2
87.00825	5.5
91.05475	13.8
93.07030	18.9
95.04968	29.8
95.08619	13.3
97.02892	23.7
97.06536	34.2
98.03249	5.6
99.04446	15.7
99.08134	5.5
103.05475	4.7
105.01875	3.5
105.07031	30.7
107.04967	3.8
107.08595	21.4
109.02879	9.9
109.06516	65.7
109.10149	18.1
111.08021	4.8
115.07574	13.1
116.98634	3.4
119.08616	18.3
121.10163	26.2
123.08051	9.4
123.11700	8.0
125.09622	9.6
127.03912	21.0
127.07551	5.8
128.04276	11.6
131.04942	5.4
131.08572	19.6
133.10126	65.9
135.08057	11.9
137.05981	8.6
139.11205	3.6
143.08528	3.9
145.05000	16.7
145.06012	2.9
145.10091	5.1
147.04364	8.0
147.11682	35.9
149.09607	5.7
149.13272	5.7
151.03934	5.7
151.11115	5.2
153.08076	3.6
153.09122	20.6
158.10928	4.0
163.14819	12.1
165.12750	11.4
173.13268	25.8
186.65135	3.0
191.14325	45.4
207.06380	3.3
209.15363	100.0
210.15738	4.2
227.16418	58.5
231.05055	6.9
232.05249	4.3
249.85493	3.4
287.05569	18.2
341.10086	11.9
373.12769	16.4
389.21283	4.7
390.19427	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	389.2168
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.12123	1.1
55.05517	4.4
57.07072	1.6
63.88472	1.2
64.52676	1.3
66.62356	1.1
67.05521	1.4
69.03426	12.3
69.07076	2.5
70.53848	4.6
70.54192	1.5
71.04980	1.5
79.05493	2.1
81.07064	2.6
83.04980	4.8
83.08624	3.9
83.49805	1.2
85.02912	5.8
93.07040	3.3
95.08611	5.1
97.02886	1.4
97.06561	2.2
97.10185	4.0
99.08119	6.3
105.07066	2.3
107.08597	15.5
109.06552	3.0
109.10162	4.9
111.08089	5.5
113.05995	1.6
119.08597	1.4
121.10143	11.3
123.08086	2.4
125.03942	1.3
125.06000	3.0
125.09631	46.0
133.10147	3.2
135.08069	7.7
137.09639	3.1
139.07573	2.4
147.11728	1.7
149.09624	58.1
149.13293	5.5
150.09998	1.8
151.11189	14.3
153.09122	11.0
154.09801	2.5
163.14822	7.5
165.12892	1.6
173.13287	5.3
191.14299	23.7
192.14798	1.5
209.15378	100.0
210.15732	7.2
222.98405	1.4
227.16443	10.2
235.75215	1.3
337.53656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01874	3.5
55.05502	6.4
57.02803	1.5
57.03429	4.2
57.07076	2.0
59.05022	2.0
61.02920	2.2
63.69009	1.4
67.05496	9.6
69.03431	10.9
69.07072	8.9
70.06586	2.8
71.04987	10.9
71.59091	2.5
79.05493	9.4
81.03422	4.5
81.07063	19.3
82.06664	1.5
83.04984	8.9
83.08614	6.1
84.04517	1.8
85.02906	26.2
85.06554	5.8
86.09714	7.7
91.05479	10.9
93.07040	25.2
95.04982	7.0
95.08604	24.5
97.02896	5.1
97.06535	6.4
97.10201	4.8
99.04465	5.3
99.08092	14.2
105.01842	1.9
105.07034	11.8
107.04954	12.3
107.08596	47.6
109.02856	2.8
109.06511	10.9
109.10149	15.6
110.10490	1.7
111.04436	2.0
111.08074	8.3
115.05453	1.8
117.07023	1.9
117.82113	1.6
119.08569	8.5
121.06503	20.4
121.10144	33.7
123.08077	20.4
123.11711	5.0
125.05988	3.6
125.09628	12.5
127.03925	4.2
129.06982	2.8
131.08568	11.6
133.10139	19.5
135.08052	14.9
135.11671	3.3
137.05984	3.2
137.09633	4.9
139.07503	3.2
139.11218	2.0
145.04933	2.5
145.10136	4.8
147.11682	10.1
149.09624	65.3
149.13264	17.8
151.03877	1.7
151.11185	20.1
153.09094	8.2
157.06622	1.5
163.07561	3.1
163.11197	2.9
163.14838	25.7
169.08698	1.4
173.13263	25.2
177.00647	1.7
191.14314	70.4
192.14648	2.1
209.15372	100.0
210.15738	2.2
217.59917	1.5
221.98570	4.2
227.16505	4.8
251.38664	1.5
287.05582	6.6
361.02347	6.8
379.03531	2.8
389.14151	4.6
389.18451	2.2
390.02762	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
54.84575	1.0
55.05508	6.2
63.36714	1.1
67.05490	2.8
69.03431	13.4
69.07067	6.1
71.13776	3.2
79.05487	2.8
81.07051	3.7
83.04989	6.2
83.08624	3.4
85.02900	5.4
85.04369	1.1
91.05494	3.3
93.07063	6.4
95.04929	1.4
95.08609	6.7
97.02914	1.7
97.06516	1.9
97.10178	3.9
99.08087	6.1
105.07051	2.6
107.08601	15.2
109.02900	1.2
109.06512	2.7
109.10150	6.3
111.04509	1.3
111.08089	5.4
113.05997	1.0
119.08577	1.5
121.06583	1.2
121.10147	12.5
123.08033	2.3
123.11741	3.7
125.06030	2.2
125.09629	50.5
126.09988	1.5
131.08571	1.2
133.10135	3.4
135.08026	5.3
135.11665	2.8
137.09654	3.4
139.07584	2.8
139.11253	1.2
145.04948	1.1
145.10103	2.1
147.11722	2.6
149.09621	64.6
149.13228	6.7
150.09967	1.5
151.11180	13.3
153.09117	14.6
154.09908	2.1
163.14853	8.2
165.12769	1.5
173.13284	4.5
180.83061	1.2
191.14334	30.8
209.15370	100.0
210.15735	3.4
227.16420	7.5
354.93903	1.1
374.52335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01853	1.6
55.05512	4.2
56.96560	1.6
57.03407	2.4
57.07056	1.6
59.04972	1.4
61.02919	1.3
65.03918	1.2
67.05511	9.0
68.05846	1.5
69.03430	5.0
69.07073	5.7
70.06575	2.4
70.56101	0.8
71.04973	2.5
71.58971	1.4
72.08133	2.4
73.02895	1.5
79.05495	8.0
80.05002	1.8
81.03391	3.0
81.05792	5.3
81.07056	9.7
83.04980	4.4
83.08598	2.9
84.08118	1.9
85.02902	12.2
85.06517	3.6
86.09710	6.6
87.05576	1.1
91.05463	5.2
93.07042	9.7
94.06558	6.3
95.04381	1.5
95.04971	21.5
95.06850	2.3
95.08604	6.4
96.07571	1.2
96.08131	16.2
97.02892	4.1
97.06526	10.8
98.97532	1.1
99.04468	4.7
99.08076	2.1
105.07042	6.9
106.06542	1.9
107.04940	1.6
107.08598	10.2
109.02855	3.2
109.06522	15.5
109.10149	6.0
111.04395	1.3
111.08064	2.1
115.07566	8.2
116.98616	0.9
117.07005	1.5
119.02005	0.9
119.04917	1.3
119.08560	5.7
121.02868	1.2
121.06448	1.2
121.09325	1.2
121.10153	23.6
122.05165	1.6
122.06031	27.1
123.04464	1.3
123.06372	19.3
123.08027	2.6
123.11667	1.0
124.07594	100.0
125.05919	1.7
125.09571	2.0
126.18618	1.0
127.03910	4.5
127.07570	1.3
128.10721	1.3
129.10210	1.9
130.05008	1.1
131.08537	3.2
133.06458	1.0
133.10136	15.0
135.08008	2.7
135.11678	1.3
136.03914	1.6
137.05928	3.3
137.09569	2.7
138.09010	0.9
138.31200	0.8
140.06918	0.9
142.96054	0.9
145.04979	2.4
145.10071	1.5
145.74722	0.9
147.04343	1.4
147.11685	7.7
149.06001	1.1
149.09656	1.9
149.13252	1.7
150.05510	1.7
151.03867	2.1
151.11154	2.7
153.09100	9.1
155.06941	0.9
158.10895	1.1
163.14848	6.4
164.03322	1.5
165.12793	1.0
167.14293	1.7
173.13232	9.5
181.04901	2.4
183.09914	1.1
191.14317	13.2
201.12418	0.9
209.11726	1.1
209.13464	1.8
209.15359	31.1
216.09805	1.3
227.08963	2.0
227.16426	16.5
327.13904	3.5
345.15082	1.3
380.75046	0.9
380.86288	0.9
389.14032	54.1
390.14557	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	389.2172
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03950	3.6
55.01867	2.3
55.05510	26.3
57.03440	2.3
59.05003	3.3
61.02914	4.2
67.05503	27.5
68.97591	1.9
68.99797	2.5
69.03425	11.0
69.07059	6.6
70.06594	3.3
71.04978	4.4
71.57160	2.9
72.08151	13.3
72.53437	1.5
73.02908	3.5
74.86736	1.6
76.68893	1.8
79.05488	6.5
81.03411	7.0
81.07052	12.9
83.04980	81.3
85.02903	30.6
85.06524	6.2
86.09700	9.9
87.04469	2.6
91.05465	7.4
93.07018	9.6
95.04961	5.5
95.08610	35.8
96.08150	2.4
97.02884	12.0
97.06538	3.5
99.04465	2.2
101.06000	12.0
105.07037	6.1
107.04958	6.5
107.08598	18.8
109.02866	4.4
109.06536	5.7
109.10155	88.3
111.04422	3.1
111.08064	5.8
116.98595	2.3
119.04929	2.4
119.08587	7.5
121.06499	3.0
121.10177	8.6
122.06051	5.0
123.06349	3.2
123.08058	9.2
124.07590	25.1
125.05975	2.1
125.09600	12.9
127.03913	9.2
131.08586	4.2
133.10141	12.0
134.99655	2.9
135.08064	4.9
136.03886	2.0
136.11253	2.1
137.05934	4.9
137.09612	12.3
138.09108	3.1
139.03975	1.9
139.07549	12.5
140.07080	3.1
142.08698	2.4
145.04968	5.0
145.10100	2.3
147.04369	7.9
147.11647	3.8
149.09608	7.0
151.03893	4.7
153.09113	3.3
156.10159	4.2
159.11722	1.7
161.13239	3.8
163.03864	4.4
163.07587	2.2
163.11186	8.0
163.14742	4.3
165.09103	6.3
171.11249	2.3
173.13161	8.5
177.05440	3.0
179.14287	15.6
182.11786	4.5
189.12506	2.6
191.14345	12.3
191.15791	2.0
197.15279	5.4
198.09198	3.5
203.14288	5.3
209.08125	2.9
209.15373	100.0
210.11185	3.1
210.15706	3.5
211.09721	2.0
221.15273	8.3
227.16397	23.4
228.12294	23.2
237.02748	3.0
251.16426	3.7
269.17545	3.7
275.16040	2.0
279.23264	1.8
323.18399	3.7
323.44064	1.9
335.18314	4.0
337.45764	2.1
339.11252	2.0
339.62796	2.0
341.19528	2.9
345.15109	5.3
351.49899	1.8
353.19562	3.8
389.09836	4.2
389.17996	33.4
390.18021	2.0
395.02765	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1708
Annotation	GS-3
Peak:m/z	Relative Intensity
52.80882	0.3
54.50290	0.3
55.05486	0.4
55.48420	0.3
65.03925	0.5
65.06316	0.3
66.29430	0.2
67.05502	0.6
69.07066	0.7
71.23181	0.3
73.09255	0.3
79.05501	0.4
81.07053	0.6
82.06588	0.3
83.05004	0.3
83.08688	0.3
85.02924	0.3
89.03906	0.8
91.05473	0.9
93.07053	0.7
93.66406	0.3
94.06564	0.9
95.04977	0.4
95.07348	0.5
95.08591	0.4
96.08140	1.2
97.02938	0.3
100.11240	0.3
103.05463	0.6
105.07013	0.4
107.04960	0.4
107.08609	0.4
108.08102	1.1
109.02875	0.5
109.06499	0.3
110.09685	1.9
116.04977	5.4
119.08594	0.6
120.08106	1.5
122.06043	2.1
124.07622	0.3
127.03947	0.4
131.04935	0.9
134.06012	0.6
134.99681	0.4
136.07564	1.2
137.05980	1.6
138.09161	2.8
144.04446	12.2
145.05211	0.3
148.07574	0.5
151.03915	4.0
151.05037	0.2
161.18327	0.3
162.04279	0.6
162.05515	6.2
163.07530	2.5
166.08644	4.7
172.03931	58.9
173.04277	1.3
173.09392	0.3
175.07571	0.3
176.07112	0.6
184.07321	0.3
190.04932	0.7
192.06522	0.4
193.04892	0.4
204.06560	100.0
205.06886	2.5
212.29741	0.3
229.28876	0.4
273.12204	0.5
339.13361	1.2
351.10901	0.3
357.14447	26.7
358.14658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65292	1.2
53.03956	7.3
55.01860	2.7
55.05510	15.2
57.03429	4.8
58.22703	1.3
61.02920	4.5
61.62838	1.3
67.05499	5.6
69.03072	2.5
69.03428	26.8
69.07059	5.0
71.04992	9.8
71.08647	2.3
71.59557	1.2
79.05499	5.2
80.49564	1.2
81.03418	32.7
81.07045	9.9
83.04977	4.5
83.08637	8.5
84.04488	1.8
84.08147	2.8
85.02906	67.3
85.06578	2.2
86.09686	1.9
87.04457	1.9
91.05488	6.3
93.07050	6.6
95.04990	7.3
95.08612	8.4
97.02887	9.2
97.06525	4.8
97.10208	2.4
99.04458	34.7
99.08105	1.7
100.11250	1.7
103.03946	60.9
105.07005	4.8
107.04966	3.7
107.08613	7.2
107.91415	1.6
109.02889	28.3
109.06512	3.4
109.10179	4.0
111.04429	4.0
111.08106	10.2
113.09641	1.6
115.03926	1.5
115.05479	1.6
119.08573	3.5
121.06474	1.7
121.10082	2.7
122.06026	1.4
123.08085	3.1
123.11689	6.8
125.09602	1.9
127.03921	100.0
131.04950	2.6
131.08536	2.6
133.06468	2.2
133.10149	1.9
135.04449	1.6
135.08035	4.3
135.11734	2.1
137.05954	8.3
139.03906	2.0
139.07538	5.7
141.09102	6.6
145.04961	13.6
145.10114	2.5
147.11705	2.8
147.38258	1.5
149.01340	1.9
151.03903	5.9
151.07489	3.2
151.11203	5.7
151.30721	1.3
153.05481	1.8
161.09627	1.5
163.06085	2.6
163.07446	2.3
165.12779	2.8
167.07010	2.8
167.10745	2.4
183.13892	1.7
186.05472	1.5
187.05991	8.1
189.11101	1.5
191.10732	1.8
191.14330	4.1
209.11807	8.9
209.15303	6.7
216.10834	1.7
220.30589	1.3
227.12802	1.8
227.16405	4.0
244.76534	1.5
253.07114	3.6
269.13834	12.8
270.75061	1.4
271.08157	2.9
333.60272	1.5
341.18698	1.7
353.10275	1.3
389.13919	4.6
389.20755	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	389.1444
Annotation	Dehydrologanin
Peak:m/z	Relative Intensity
50.42544	1.9
55.01880	4.1
55.05515	4.3
57.03429	1.8
60.13534	1.9
61.02906	2.7
65.03931	3.1
67.05501	9.4
68.05836	2.2
68.99473	1.9
69.03439	8.2
69.07085	3.8
71.04992	3.2
71.59086	4.0
72.08155	3.5
73.02917	23.4
79.05508	3.4
81.03400	4.4
81.07075	4.7
83.04957	2.8
84.08105	1.9
85.02914	19.4
85.06535	5.3
86.09712	9.5
91.05484	6.5
93.07033	5.1
94.06584	8.4
95.04972	16.3
95.08616	3.5
96.08110	2.5
97.02888	7.3
97.06541	2.9
98.97575	2.5
99.04468	5.1
99.08094	2.4
105.03423	3.6
105.07038	4.6
107.04965	2.9
107.08605	6.8
109.02889	5.2
109.06544	4.1
109.10151	10.2
109.97821	1.9
111.04408	2.2
119.04919	3.7
119.08596	2.3
121.06504	1.9
121.10170	3.3
122.06035	28.1
123.04415	6.4
123.06384	18.4
123.11742	2.4
124.07587	22.9
125.02344	2.2
125.09605	2.6
127.03909	7.7
131.08583	2.7
133.10153	12.8
135.08151	2.0
136.03975	2.7
137.06003	7.1
140.04694	31.0
141.09088	3.4
145.04953	3.1
147.04413	10.4
149.09607	2.8
151.03926	7.2
151.07474	1.9
153.09113	6.9
153.12756	3.9
155.07034	50.9
163.07567	2.6
171.06537	2.7
173.08148	5.3
173.13222	4.5
177.05426	3.5
179.07115	3.1
181.04964	58.7
181.06523	3.9
181.08548	3.1
191.14330	7.6
209.08119	14.0
209.15408	19.5
209.39236	1.7
227.09152	100.0
227.16422	5.6
259.07883	2.5
259.31351	1.9
345.15161	2.6
389.13867	10.5
389.18100	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01861	4.7
55.05510	7.7
57.03439	8.3
61.02914	7.5
67.05505	5.1
69.03432	32.1
69.07046	4.1
69.48441	3.3
69.48758	32.9
70.06589	4.1
71.04978	4.8
73.02895	4.9
79.05499	5.8
81.03422	21.6
81.07044	12.1
83.04972	7.0
83.08633	3.5
83.40966	3.2
84.63596	3.2
85.02429	6.3
85.02909	100.0
86.09684	5.5
87.00838	24.3
91.05467	11.9
93.07036	13.7
95.04951	4.7
95.08588	5.3
97.02904	28.1
97.06553	7.0
98.97554	5.4
99.04464	17.2
99.08073	3.9
105.01868	53.1
105.07037	41.2
107.04948	5.3
107.08579	8.5
109.02884	32.5
109.06544	5.4
111.08105	4.6
112.12501	3.5
119.04980	5.1
119.08582	7.8
121.06525	5.1
121.10147	16.0
123.08012	4.5
123.11662	6.4
127.03924	57.1
129.01804	3.5
131.04897	4.0
133.06500	4.8
135.08043	5.2
137.05968	28.5
138.06291	4.6
139.03929	5.2
145.04959	28.4
145.10075	4.7
149.09648	5.9
151.03891	7.1
151.07465	4.0
153.05360	4.6
155.08606	8.3
156.08888	7.4
159.02942	11.3
161.01190	6.0
163.03865	5.3
163.07603	4.3
164.04236	3.5
165.12706	3.8
167.07060	11.7
167.10689	10.8
183.08072	10.2
184.08414	8.3
193.08598	9.8
194.79648	3.5
197.07938	3.8
207.58200	3.9
208.14130	12.5
209.15309	3.9
215.10669	15.5
216.11009	29.4
226.15012	3.9
231.05034	24.9
233.11792	10.2
234.11996	11.7
249.06093	9.5
309.22647	3.6
354.45163	3.9
388.20267	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	389.0844
Annotation	(S)-(+)-Chelonin B
Peak:m/z	Relative Intensity
50.90857	2.4
51.02103	2.5
58.15711	2.5
65.15055	2.5
67.95973	2.8
71.13763	5.8
71.28786	2.6
84.08126	4.4
85.02921	3.1
86.09666	3.2
93.98204	2.7
116.07047	2.7
345.09412	5.6
353.37903	2.6
360.84116	2.7
382.26401	2.7
389.08395	100.0
389.13434	5.9
413.83963	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	388.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
61.02892	0.2
65.03929	0.6
67.05506	16.2
68.05855	0.4
69.03430	0.8
69.07047	0.5
70.06608	0.4
70.17214	1.0
72.08128	0.3
73.02911	0.4
79.05492	0.4
81.03410	1.1
85.02915	1.1
86.09686	0.4
87.00840	0.5
91.05459	0.3
93.05764	0.3
93.07043	0.3
94.06569	18.3
95.04962	0.9
95.06924	0.2
97.02879	0.6
97.21929	0.2
98.20847	0.3
99.04448	0.3
105.01849	0.3
105.03398	0.6
109.02882	0.6
119.08582	0.4
121.10134	0.4
122.06030	100.0
123.00744	0.3
123.04435	0.9
123.06361	1.0
127.03913	0.7
140.04555	0.3
140.07083	0.8
141.01836	0.3
155.07033	0.6
168.06604	0.4
169.01318	0.5
169.34735	0.2
181.05045	0.5
227.09146	0.6
262.70044	0.2
321.98279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01855	2.2
57.03442	8.3
57.49077	1.1
61.02923	1.5
63.01633	1.3
64.05154	1.2
67.05498	1.4
68.99780	1.5
69.03429	47.7
70.06564	1.6
70.86788	1.2
71.04996	11.1
71.59451	2.2
73.02911	2.1
79.05489	3.0
80.75095	1.2
81.03415	33.6
81.07040	1.8
83.01328	4.5
85.02903	62.7
87.00829	35.4
87.04453	5.9
87.76811	1.2
91.05438	2.2
93.07021	1.7
93.64924	1.3
95.04965	1.8
97.02892	77.1
99.04454	27.7
101.02374	3.1
105.01866	28.3
105.07037	27.6
107.08618	2.2
109.02873	12.3
109.06510	1.5
109.10152	1.7
115.03904	1.6
121.10168	1.4
127.03915	100.0
129.57162	1.1
136.69505	1.4
137.05983	2.9
145.04959	69.8
171.02914	4.8
188.27130	1.5
208.14114	2.1
209.15416	1.9
213.03865	3.8
222.10330	1.3
231.05008	63.0
249.06087	35.7
266.08661	3.2
349.76459	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	4.3
55.05502	6.6
57.03425	5.4
59.05000	7.4
61.02901	3.7
63.06942	2.7
67.05491	10.9
69.03438	19.1
69.07054	5.3
70.06586	6.4
70.27968	7.2
71.05003	4.1
72.08144	6.6
73.61701	3.1
79.05486	7.2
81.03393	8.9
81.07054	9.2
83.04989	6.2
84.08159	3.5
85.02904	28.6
85.06532	3.4
86.09698	13.4
86.46883	2.5
87.04478	3.9
91.05479	15.8
93.07036	14.3
95.04960	6.1
95.08595	13.7
97.02874	10.6
97.06552	4.0
99.04457	12.5
101.06019	5.7
105.07028	19.8
107.04935	3.9
107.08614	32.2
109.02879	4.1
109.06508	12.6
109.10129	17.5
111.08052	5.4
113.05984	3.0
119.08575	25.2
120.04449	4.5
121.06505	4.8
121.10136	11.4
123.08089	30.6
125.05990	8.5
125.09561	3.5
127.03896	12.3
131.08574	8.0
133.04724	2.5
133.06516	4.8
133.10112	9.2
135.08051	8.3
135.11731	21.0
137.05988	6.9
137.09621	100.0
138.05383	2.9
138.09918	2.8
140.13577	2.7
145.04924	4.3
145.10042	3.3
147.11679	10.6
149.09615	10.6
151.03882	3.6
151.07521	7.5
153.09102	3.1
156.09370	4.0
159.11707	4.0
161.09586	5.5
161.13278	18.6
163.11176	7.5
165.08986	5.8
165.12799	4.5
167.07146	4.3
171.11804	4.4
175.07495	3.5
177.05501	5.2
177.12779	4.0
179.14177	4.3
181.12248	6.4
183.13782	3.8
185.13106	3.6
189.12732	20.5
207.13802	42.7
225.14906	14.9
284.58350	2.7
387.15265	9.9
387.19974	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38857	0.3
53.03917	0.3
55.79905	0.2
65.03927	0.9
67.05502	16.9
69.03414	0.8
69.07067	0.4
70.30332	0.9
72.08147	0.4
74.76981	0.2
79.05497	0.4
81.03425	1.2
81.07058	0.3
84.04482	0.2
85.02914	1.3
86.09721	0.2
87.00806	0.6
91.05497	0.3
93.05774	0.2
93.07039	0.3
94.06565	18.7
95.04945	0.9
95.06898	0.3
96.08164	0.3
97.02898	0.6
98.20870	0.3
99.04443	0.5
105.03388	0.5
109.02848	0.5
116.08332	0.3
121.10169	0.3
122.06026	100.0
123.04420	0.9
123.06377	1.3
127.03898	1.1
140.07069	0.9
147.04408	0.4
148.32654	0.2
155.07146	0.5
158.29074	0.2
159.02994	0.2
168.06543	0.5
169.01311	0.4
181.04948	0.3
198.63745	0.3
227.09138	0.7
388.17056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
54.20187	1.8
55.05524	4.1
57.03438	2.4
58.88778	2.0
61.02934	3.7
67.05521	5.9
69.03433	13.6
70.06601	5.9
71.05014	2.5
71.56719	2.8
72.08157	30.5
79.05505	4.2
81.02983	1.7
81.03437	6.8
81.07079	4.4
83.04977	8.8
84.04510	3.1
84.08155	2.4
85.02917	23.9
86.09692	2.8
91.05523	5.6
93.07060	5.9
95.04971	100.0
95.08640	7.9
97.02891	15.2
97.06606	1.7
99.04501	5.7
105.07052	5.0
106.14537	1.8
107.08611	5.4
107.56454	1.9
109.02876	2.5
109.06539	4.3
109.10174	5.1
111.04506	3.0
112.45384	1.6
113.06043	3.9
115.03946	8.0
116.98642	2.6
119.08624	5.6
121.06559	3.8
122.06046	8.6
123.08144	5.6
127.03926	10.6
137.06012	3.1
139.07565	2.5
145.04974	3.1
147.04442	12.1
149.09662	3.1
151.03954	2.4
151.06496	2.8
151.07539	13.5
151.11230	2.4
161.13359	3.7
163.03952	2.6
163.11215	2.9
169.08595	28.7
171.15042	6.3
189.12469	10.7
195.13916	4.0
199.14534	6.7
207.13811	21.0
207.15417	2.0
209.15475	2.8
225.14856	40.9
225.16835	2.8
237.02826	2.1
256.46716	1.9
343.13660	3.9
369.19424	2.6
387.12656	8.2
387.16525	68.9
387.26962	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71432	0.9
53.03946	1.1
55.01875	1.9
55.05510	1.5
56.38916	1.0
65.03930	1.6
67.05504	1.8
69.03410	2.6
69.07068	2.6
70.90302	3.1
71.04989	1.1
74.53732	1.0
77.03932	1.3
79.05490	3.9
81.03410	1.7
81.07045	3.2
83.04980	1.4
84.08166	1.1
85.02905	1.5
91.05473	4.9
93.07036	1.5
95.04974	2.8
95.08627	1.9
97.02905	1.9
97.06536	13.6
103.05445	2.0
104.04998	1.0
105.07030	8.6
107.04954	3.0
107.08607	2.1
109.02877	1.2
109.06530	1.5
109.10119	1.2
111.04433	2.6
115.05492	1.9
116.37182	1.2
117.07032	1.4
119.04990	1.6
119.08604	1.7
121.10137	1.6
122.03635	1.5
122.06096	1.9
123.04438	7.5
125.06042	2.1
127.03898	1.8
128.06207	1.0
129.07019	2.4
131.04904	2.7
133.06523	8.3
137.05974	29.8
139.03920	18.3
143.08528	1.3
145.06488	3.1
147.08054	1.1
149.06012	3.0
151.03925	2.1
153.05731	1.2
153.06973	5.6
154.07706	2.4
155.08565	49.2
159.07927	1.1
160.05215	2.0
161.05997	9.7
161.09654	1.1
163.03911	4.3
163.07570	3.8
165.05609	1.0
165.07019	4.9
167.07057	11.4
172.05243	1.1
174.06810	3.0
175.04036	1.2
175.07553	20.1
177.05453	1.7
177.09091	2.0
179.07021	1.8
183.08066	30.5
184.07275	1.5
184.08784	2.4
187.07574	7.9
189.09108	12.5
193.08615	33.7
198.07951	1.9
200.08383	5.1
201.09138	1.2
207.06512	2.0
213.10323	2.3
215.10684	100.0
216.11049	4.5
217.08652	2.2
219.10162	9.7
231.11340	3.3
233.11736	41.6
240.23582	1.1
259.10352	3.7
325.10617	1.2
346.76514	1.1
377.14252	1.1
387.09671	1.4
387.14182	2.2
387.23090	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	387.18
Annotation	Arctigenin methyl ether
Peak:m/z	Relative Intensity
55.01853	0.2
55.05503	0.2
56.96555	0.4
65.03947	0.4
66.04708	0.2
67.05494	0.7
69.03384	0.2
69.07072	0.2
69.96275	0.9
78.04726	0.3
79.05500	1.1
80.06262	0.6
81.03413	0.5
81.07041	0.6
81.49304	0.2
90.04690	0.2
91.05478	2.6
93.07068	0.8
95.04964	0.5
95.08598	0.4
97.06552	0.2
98.69065	0.2
103.05489	0.4
105.03389	0.4
105.07001	0.8
107.04955	4.9
108.05750	2.5
109.06509	0.5
109.10120	0.2
115.05438	0.5
116.06223	0.2
117.07014	0.7
118.04195	0.2
119.04919	0.2
119.08554	0.3
120.46825	0.2
121.06507	3.8
121.10103	0.3
129.07056	0.2
131.04930	0.8
133.06476	0.6
133.10107	0.2
134.07266	0.2
135.04405	1.6
135.08034	0.2
136.05219	2.2
137.05978	1.6
139.07516	0.3
140.58072	0.2
143.08580	0.2
145.06512	1.4
146.07272	4.0
147.04395	0.3
147.08032	1.0
147.11670	0.2
149.05981	2.6
149.09595	0.3
151.07541	100.0
152.07892	1.8
155.08554	0.5
157.06548	0.2
159.08023	0.4
161.02313	0.2
161.05962	0.5
162.06760	0.9
163.03940	0.6
163.07520	1.5
165.05498	1.1
165.09061	1.1
167.07037	0.5
172.08775	0.3
173.02296	0.4
173.06024	0.4
174.06747	0.4
175.07521	0.4
176.08191	0.2
177.09108	10.4
178.09613	0.2
179.07069	2.0
183.08102	0.3
184.08852	0.2
187.03923	0.5
187.07652	0.2
188.08290	0.6
189.09094	1.0
191.07034	2.3
193.08673	1.1
199.03807	0.2
201.05304	0.2
201.09074	0.5
203.10658	0.8
205.08644	0.6
213.05545	0.3
213.09270	0.2
215.10600	1.6
217.08452	0.2
231.08083	0.2
231.10173	0.5
233.11736	0.4
245.09641	0.6
246.10219	0.2
261.09091	0.4
263.10666	0.6
267.13791	0.6
273.09082	0.3
274.09979	0.3
275.10638	0.2
276.11353	0.2
277.12283	0.3
278.12976	1.0
288.11340	1.7
289.08649	0.5
289.12158	0.7
293.11774	0.3
304.11060	0.5
305.11737	1.0
309.14859	2.2
311.12775	0.6
311.16205	0.3
319.13303	7.2
320.13998	1.1
321.11273	0.3
336.13373	0.3
337.14392	3.1
338.07965	0.2
351.15872	3.7
355.15302	0.9
363.05542	1.1
369.16983	4.8
370.17413	0.3
381.06473	1.0
386.06882	0.2
387.18027	1.4
387.25415	0.3
411.87991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01860	3.4
55.05503	6.2
57.03434	3.4
67.05517	15.2
69.03427	4.5
69.07054	3.5
69.98427	14.4
79.05505	13.6
81.03420	19.8
81.07072	12.4
83.08624	6.1
91.05483	14.2
93.07065	12.8
95.04967	6.9
95.08612	7.5
96.18174	2.5
97.06563	3.5
103.05457	6.4
105.07027	32.2
105.47211	2.4
107.04955	4.1
107.08580	4.8
109.10148	5.5
115.05431	6.4
115.88455	2.5
117.06997	3.4
119.08548	7.3
121.06538	3.7
121.10149	5.1
122.03624	6.8
122.06027	3.1
123.04393	3.3
123.08007	4.2
129.07001	7.7
131.04929	5.9
131.08575	8.1
133.06500	18.5
133.10075	4.2
137.05980	100.0
138.06299	7.3
139.03862	3.1
145.06490	5.9
145.10156	2.5
147.08092	3.3
147.11656	6.1
149.05962	3.9
149.09579	4.2
151.07535	35.0
153.06944	6.7
155.08559	38.2
159.04428	5.1
161.02353	3.0
161.05962	33.6
162.70728	2.4
163.03926	17.5
163.07487	4.8
163.92923	2.7
165.07011	3.6
167.07050	35.8
173.02390	6.2
173.05940	3.1
175.07568	18.0
177.09131	6.9
179.06992	6.9
181.05013	3.0
183.08104	27.8
187.03871	6.0
187.07526	5.0
189.09097	10.4
191.07108	3.1
193.06821	4.7
193.08614	90.4
193.12231	3.5
194.08868	3.5
200.08269	2.8
207.10126	4.2
213.05466	8.9
214.86180	2.6
215.10667	76.5
233.11668	28.6
237.11044	2.7
267.13773	14.6
292.12808	3.5
309.14572	2.7
311.12875	7.0
311.16269	4.2
319.13284	3.1
337.14157	7.7
351.15833	3.0
355.15369	33.9
369.16647	5.1
387.08328	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	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01869	4.6
55.05499	4.6
56.96557	3.5
57.03446	9.0
61.02927	8.0
65.03923	2.1
67.05492	5.4
69.03429	30.6
69.07052	4.7
70.06599	12.6
71.04967	6.1
71.42614	3.2
72.08164	9.7
72.60419	1.5
73.02916	9.5
79.05462	6.5
81.03029	2.0
81.03418	17.4
81.07047	6.1
83.04969	8.9
85.02905	56.7
85.06553	1.9
86.03220	2.8
86.09709	3.2
86.33046	1.5
87.04457	6.4
91.03950	3.1
91.05476	10.4
93.07050	10.1
95.04961	9.3
95.08594	6.2
97.02887	19.0
97.06517	3.9
98.03210	1.7
98.97582	4.1
99.04467	9.0
101.02363	4.8
102.19303	1.6
103.03933	11.9
104.04283	2.2
105.07041	21.5
107.04932	4.6
107.08594	16.4
109.02869	8.8
109.06505	6.4
109.10137	4.8
109.40534	1.6
110.07146	5.0
111.04427	3.1
111.08089	4.0
115.05479	2.0
116.06290	1.6
116.07076	4.9
116.98625	6.3
117.07048	8.3
119.03392	2.7
119.04879	2.6
119.08577	27.3
121.02792	2.1
121.06494	4.8
121.10152	11.7
123.08051	4.6
124.07627	2.9
127.03916	30.4
128.04250	6.5
128.06218	4.2
128.39403	1.7
129.06998	5.5
130.07770	3.2
131.08565	14.3
131.79376	1.7
133.06497	2.9
133.10147	14.3
134.99640	2.3
135.04424	3.3
135.08052	10.1
135.11685	7.6
135.42296	1.5
136.07564	2.3
137.05951	7.4
137.09579	2.8
139.03960	2.1
143.08566	6.5
144.09314	7.7
145.04958	14.8
145.10121	19.2
146.05273	4.1
147.04367	2.6
147.08041	6.9
149.05971	2.1
149.09596	6.4
149.13237	2.7
151.03908	3.0
151.07542	3.5
153.05424	3.5
156.05672	5.1
157.06398	2.0
157.10121	2.3
159.11699	28.8
161.09627	16.5
161.13213	9.8
162.10333	2.0
163.06010	7.6
163.07285	1.6
163.11186	27.7
164.06247	2.9
169.10176	2.6
169.13338	2.1
171.11330	2.3
172.08833	3.5
173.04527	5.5
173.05966	2.5
175.11110	3.7
177.00716	3.0
177.09126	1.8
177.12769	40.3
179.10674	8.9
181.04866	2.2
181.12238	2.0
187.11191	41.9
189.12712	5.5
191.05473	2.5
191.14359	2.5
197.12852	2.6
205.12245	100.0
206.12592	3.2
207.13786	8.7
217.08565	17.5
221.09514	2.0
223.09549	2.7
223.13295	76.0
224.09039	1.6
226.70261	1.9
228.04198	1.9
229.04938	2.5
232.09554	2.7
249.09050	3.3
261.07602	6.9
290.09439	1.9
326.11478	3.4
367.13077	3.5
367.17419	4.6
385.14377	8.3
385.18475	67.7
386.18759	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55325	2.0
53.03933	3.7
53.59365	2.0
56.96547	2.5
57.03436	2.7
61.02903	5.3
69.03423	13.8
70.72166	7.5
71.04987	5.3
72.08169	3.2
73.02899	2.5
79.05493	4.0
81.03433	12.5
83.04979	3.5
83.06100	4.8
84.08160	2.5
85.02907	71.1
85.03428	3.3
86.09679	2.8
87.04408	2.4
91.03957	2.6
91.05472	2.8
95.04976	2.5
95.06089	4.4
97.02895	19.7
97.06514	2.2
99.04461	42.3
103.03943	83.2
105.07000	7.3
107.08583	3.8
109.02885	14.9
110.07175	21.4
119.04927	4.4
119.08600	5.7
127.03925	100.0
133.10172	2.6
135.37155	2.0
145.04958	68.7
147.04387	7.9
159.11711	6.3
161.13278	4.5
163.06033	71.2
187.05965	6.2
187.11156	6.7
205.07080	5.3
205.12206	6.4
223.13414	4.0
271.08142	7.6
289.09149	6.6
293.18771	2.5
307.10181	13.5
338.20758	12.0
349.14554	3.6
367.13144	3.5
384.21405	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1649
Annotation	Sigmoidin J
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	2.0
55.05502	1.5
56.96558	1.1
58.49322	1.0
61.02916	1.0
65.03921	1.1
67.05506	1.3
69.03423	5.1
69.07082	1.1
70.06599	1.8
71.56502	1.1
79.05498	13.2
79.67542	0.9
81.03419	3.2
81.07056	5.2
83.04977	2.0
84.08132	1.0
85.02900	5.4
87.04494	1.1
88.72943	0.9
91.05477	6.6
93.07043	3.0
94.04192	2.9
95.04977	9.6
95.08604	3.1
97.02912	2.6
97.06536	2.2
98.97578	1.2
102.24884	0.9
103.05463	11.2
105.07030	17.4
107.04953	28.1
107.08600	2.8
109.02908	2.4
109.06499	3.2
109.10165	1.9
111.04433	2.2
115.05481	4.7
117.07024	4.5
119.04921	1.7
119.08595	2.3
120.08118	2.3
121.06506	3.6
121.10111	1.5
122.03645	8.2
123.04448	3.1
123.08081	1.9
124.05241	5.6
125.06013	4.3
125.09641	1.0
127.03914	1.7
128.06287	1.2
129.07018	6.9
131.04932	18.7
131.08583	2.5
133.02846	1.0
133.06508	16.6
133.10147	1.9
135.04448	2.0
135.08043	1.4
135.11714	1.1
137.05980	100.0
138.06375	1.4
139.03954	1.1
139.07617	1.3
141.07030	2.0
143.04985	2.1
143.06104	1.3
143.08531	2.4
145.06509	5.7
145.10112	2.7
147.04422	2.2
147.08028	2.1
149.05972	2.8
149.09712	1.1
151.03915	1.7
151.07549	2.6
152.04686	3.0
153.05399	2.3
153.06921	1.6
155.04980	1.7
157.06506	3.8
159.11789	1.7
160.05240	2.2
161.05989	42.9
161.13228	1.0
163.03964	2.1
163.07553	13.9
165.05573	1.5
167.07047	92.6
168.07317	2.0
169.06471	1.6
171.08011	2.2
174.06697	2.2
175.07533	8.3
175.96570	1.0
177.05441	5.1
177.09149	6.3
179.07033	3.0
181.04977	2.9
181.06514	4.1
181.12135	1.0
183.06496	1.1
187.07518	6.4
187.14832	3.2
189.05450	3.7
189.09087	11.2
191.07039	3.1
192.04185	2.0
193.08611	18.5
199.07512	1.3
201.09108	1.4
203.07045	4.8
203.10709	3.3
205.08647	1.9
205.12314	2.4
205.15939	4.1
207.06525	12.5
207.10258	1.4
207.13788	1.7
209.08104	3.4
213.09142	7.2
217.08601	4.5
223.13310	2.8
229.08553	1.4
231.10197	11.0
233.11765	1.1
235.07437	2.0
235.09642	16.2
243.10350	1.1
249.09007	1.1
249.11531	1.3
264.34290	0.9
278.62827	1.0
293.11548	1.1
303.10141	1.5
305.18585	1.8
307.13263	1.0
323.19455	3.2
335.12854	2.6
339.12689	1.4
343.11725	1.6
353.13531	1.9
367.15396	22.1
385.16473	20.6
385.22195	1.7
386.16925	2.2
391.58710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.115
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01846	1.1
57.03408	2.3
61.02896	0.7
69.03401	1.4
70.06579	0.6
70.41499	0.6
71.56979	1.0
73.02900	0.7
74.09754	0.5
75.84505	0.6
81.03391	1.0
85.02898	2.9
97.02874	1.6
107.08566	0.8
121.05131	1.4
127.03840	1.4
135.06638	1.1
136.05150	1.1
136.06184	20.5
148.06178	5.1
148.07262	0.9
155.05653	0.7
156.14104	0.6
160.06192	0.8
162.07753	32.3
165.65440	0.6
178.08536	0.6
180.92220	0.6
188.05679	12.5
192.05148	16.6
192.06876	1.0
193.05537	0.7
206.06760	5.8
216.05194	0.9
234.06189	10.7
252.07286	100.0
253.07602	2.5
270.91800	0.7
384.11505	29.5
384.18335	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03941	4.6
55.01875	3.3
55.05511	16.6
57.07066	8.6
59.04996	5.0
67.05508	23.2
69.03429	11.3
69.07073	4.1
69.49815	13.1
69.50227	9.2
71.04971	4.5
71.22172	2.8
79.05502	23.4
81.07063	27.3
83.04970	8.2
85.06541	4.0
91.05486	38.8
93.06471	4.4
93.07050	82.9
95.04979	26.9
95.08608	36.3
97.06540	12.2
105.06385	4.5
105.07035	67.3
106.07269	2.7
107.08595	46.4
108.71165	3.1
109.06519	18.6
109.10166	16.0
111.08074	7.9
116.06257	4.3
117.07027	9.6
119.08591	46.6
120.09441	3.2
121.06508	12.7
121.10140	46.8
122.07272	3.2
123.08090	27.6
123.11708	3.5
128.06241	8.0
129.07014	12.2
130.07736	3.6
131.08580	25.7
133.06499	9.5
133.10107	29.9
135.08083	19.8
135.11740	5.9
137.09604	14.6
141.06958	3.9
142.07764	19.9
143.08575	21.1
144.09367	4.3
145.06488	4.9
145.10123	36.6
146.07347	3.6
147.08058	18.1
147.11697	15.2
149.09633	22.5
151.07556	37.1
153.09184	3.8
154.07713	3.6
155.08562	5.8
156.09317	7.9
157.10144	34.6
159.08020	8.3
159.11684	10.9
161.09651	20.1
161.13342	5.1
163.11238	7.0
165.09138	30.6
167.08649	3.1
169.10178	8.3
170.11006	5.7
171.11670	10.4
173.09639	6.6
173.13306	7.2
175.11223	26.3
175.14896	3.5
177.09140	6.9
178.09901	2.8
181.10060	3.2
182.16385	3.1
183.11760	8.2
185.13252	19.2
187.11180	6.3
189.12782	8.6
195.11739	6.2
196.12422	3.2
197.09552	2.8
197.13190	8.1
199.11200	4.3
201.12692	5.0
203.14369	23.6
203.56384	2.9
207.13803	13.7
209.13373	6.0
209.15213	5.4
211.14870	3.6
213.12733	4.1
215.14355	7.7
219.13881	7.9
221.15373	70.9
227.14299	7.4
231.13838	5.3
233.15320	6.6
234.16209	10.0
241.90773	2.9
243.13844	7.6
274.19595	3.2
281.18976	4.0
286.19290	6.0
287.20026	10.2
299.20078	6.0
301.10349	3.0
303.19571	7.9
309.18573	3.1
347.23257	4.3
356.90030	3.3
365.24704	17.4
379.90878	3.1
383.20886	6.0
383.25818	100.0
384.26224	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03942	4.2
55.05507	19.3
57.03429	3.3
57.07064	11.6
59.04987	7.1
67.05510	32.3
68.67535	2.9
69.03425	14.9
69.07049	11.4
69.44553	12.0
69.44982	13.7
71.04987	7.5
79.05494	31.9
81.07062	37.1
83.04977	8.3
83.08612	6.0
85.06518	7.5
91.05487	43.7
93.07048	84.1
95.04968	29.4
95.08604	38.9
97.06520	14.8
105.07030	74.4
107.08595	44.3
109.06525	22.9
109.10154	26.3
111.08082	8.1
117.07034	9.6
119.08585	50.1
121.06471	15.0
121.10150	42.5
123.08073	21.9
128.06206	7.2
129.06996	10.8
130.07791	6.0
131.08574	28.6
133.06438	8.1
133.10152	30.7
135.08025	14.3
135.11642	5.6
136.96893	3.2
137.09586	14.6
141.06931	5.0
142.07758	15.8
143.08559	30.9
144.09467	4.0
145.06516	3.4
145.10117	42.4
147.08057	22.7
147.11681	14.4
148.08850	3.4
149.09627	22.5
151.07561	34.9
155.08606	5.1
156.09299	7.2
157.10135	39.7
159.08061	9.8
159.11703	14.4
160.08806	4.1
161.09618	20.0
161.13269	5.4
163.11209	7.2
165.09117	33.7
169.10068	7.6
170.10927	5.9
171.11662	10.9
173.09615	11.2
173.13255	10.7
175.11179	19.3
175.14749	5.1
177.09134	11.9
181.10159	5.6
181.12210	3.5
182.10919	4.2
183.11691	6.8
185.09596	3.4
185.13280	19.3
187.11215	6.1
187.14787	4.9
189.12683	9.6
195.11720	5.6
197.13249	8.7
199.11232	3.5
201.12750	8.8
203.14365	25.9
207.13806	13.2
209.13300	6.5
209.15298	7.1
211.14906	6.0
213.12708	6.7
215.14313	12.3
219.13788	6.8
221.15359	82.6
227.14243	7.2
229.15872	3.4
233.15433	9.4
234.16132	7.9
239.17389	3.3
243.10942	4.4
269.12415	7.9
281.19022	3.9
286.19315	3.8
301.20294	4.3
303.19586	8.5
342.23010	3.1
365.24716	17.7
383.25848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03946	4.0
55.01872	7.1
55.05511	23.7
57.03438	7.3
59.05011	3.6
62.53281	1.4
63.33520	1.7
65.03933	3.0
65.37885	1.4
67.05505	45.0
69.03437	7.2
69.07065	24.9
69.82507	9.8
71.04993	4.8
79.05491	28.3
81.03416	5.6
81.07056	41.6
83.04985	7.2
83.08614	11.1
85.06564	1.6
91.05482	26.9
93.07045	28.6
95.04974	12.3
95.08600	15.1
97.02902	4.7
97.06540	6.4
97.10183	14.4
98.20725	1.8
99.04465	1.6
103.05479	1.9
105.07043	21.7
107.04951	7.7
107.08603	19.0
109.06542	6.3
109.10159	27.1
109.10848	1.1
111.04452	1.9
111.08076	3.8
115.05477	2.5
117.06981	9.2
117.85784	1.5
119.08590	15.8
121.06516	5.8
121.10149	11.1
123.08071	6.8
123.11717	3.7
125.09641	8.8
126.51727	1.5
129.07007	4.7
131.08571	14.0
133.06519	5.7
133.10139	20.4
135.08054	7.1
135.11678	4.4
135.71884	1.5
137.05981	3.6
137.09604	2.6
141.06943	1.8
143.08585	6.0
145.10135	9.3
147.08066	6.5
147.11690	5.5
149.09615	7.0
151.11180	8.0
157.10141	5.1
159.08067	3.1
159.11702	4.8
161.09612	5.6
161.13339	1.7
163.11205	2.9
165.09106	2.5
169.10199	2.2
171.11656	2.9
173.09685	1.7
173.11758	6.2
175.11284	3.8
177.09161	4.4
189.11206	5.2
189.12811	2.3
193.12268	2.9
205.12210	2.2
223.13257	12.2
227.12819	2.9
237.16360	1.7
245.13896	2.2
245.19116	5.2
253.14304	2.9
255.17653	3.0
263.20041	2.7
269.13904	3.0
270.08383	1.5
271.15250	3.2
273.18521	20.4
291.19550	100.0
292.19852	1.6
347.22073	3.4
365.23248	71.8
366.23795	2.2
383.14816	3.8
383.19742	2.4
383.24384	10.0
391.22876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
50.30637	1.3
51.34738	1.4
53.03941	2.2
55.01863	6.2
55.05264	1.8
55.05510	22.0
57.03433	7.3
57.07050	2.0
59.05016	2.2
59.32640	1.4
64.51128	1.4
65.03922	2.8
67.05506	47.1
67.66290	1.3
68.85918	1.3
69.03416	5.4
69.07069	20.8
69.32475	10.7
69.32894	3.6
71.04997	3.0
79.05491	32.2
81.03415	6.2
81.07059	47.6
83.04977	6.4
83.08623	14.1
85.06527	4.1
91.05477	30.3
93.07047	35.5
95.04969	13.3
95.08607	23.1
97.02884	5.1
97.06528	6.9
97.10182	11.4
98.21510	3.1
99.04428	1.9
103.05450	2.3
105.07029	25.9
107.04941	10.0
107.08589	27.2
109.06522	4.9
109.10154	33.7
111.04448	2.9
111.08064	4.4
115.05478	1.7
117.07016	9.6
119.04884	2.0
119.08576	19.9
121.06474	4.6
121.10124	14.9
123.08080	7.2
123.11703	2.7
125.09645	8.2
128.06261	2.0
129.07005	7.3
131.08553	15.1
133.06529	7.2
133.10133	22.3
135.08014	7.8
135.11693	7.9
137.05995	4.7
137.09608	4.1
139.07571	1.8
141.06970	2.1
143.08528	6.9
145.06441	2.0
145.10129	12.9
147.08028	6.8
147.11688	7.9
149.09660	8.8
149.13254	4.3
151.07516	1.8
151.11182	10.2
155.08530	1.7
157.10150	5.6
159.08067	2.5
159.11668	6.2
161.09639	8.6
161.13234	6.7
163.11185	5.0
165.09164	2.5
169.10045	2.2
171.11685	3.5
173.09666	1.7
173.11743	3.7
173.13104	3.5
175.11188	4.6
175.14879	2.0
177.09140	5.0
177.16426	2.3
181.04924	1.3
185.13289	3.5
189.11156	4.0
189.12706	2.5
191.10579	1.7
193.12241	2.8
201.12724	1.8
203.14436	1.8
203.17929	1.5
208.62737	1.4
223.13271	13.2
227.12732	3.9
227.17807	2.7
233.15279	1.6
239.18054	2.2
245.18976	5.5
249.14885	2.3
251.13008	2.1
253.14362	4.7
255.17375	3.2
263.20004	4.4
269.13852	2.4
271.15417	4.2
273.15765	2.9
273.18478	24.5
285.17056	1.8
291.19540	100.0
292.19830	3.0
339.11835	1.7
347.22162	4.4
365.23251	74.0
366.23358	2.0
383.14957	4.8
383.19757	2.5
383.24274	12.6
383.29382	11.6
392.72089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47615	1.6
52.17399	1.9
53.03937	7.1
55.01871	18.0
55.05514	38.0
56.96552	8.4
57.03434	17.7
57.07073	2.5
59.04987	3.6
61.02907	4.6
65.03931	3.6
67.05180	3.7
67.05509	54.6
69.03431	11.9
69.07068	27.9
69.27366	13.1
69.27792	7.2
71.04988	7.9
72.08149	1.6
73.02898	3.4
79.05061	3.8
79.05492	47.1
81.03422	26.1
81.07062	100.0
83.04981	22.4
83.08620	24.2
84.04505	4.8
85.02919	14.9
85.06535	5.7
91.03951	2.9
91.05480	28.1
92.05812	2.0
93.07045	38.0
95.04981	25.1
95.08603	25.6
97.02882	6.0
97.06534	14.1
97.10179	30.1
98.97581	2.4
99.04463	4.6
99.08077	5.0
101.02380	2.4
105.07032	25.7
107.04958	7.8
107.08599	25.2
109.02874	2.8
109.06528	10.0
109.10153	21.9
111.04449	25.5
111.08082	9.9
113.05983	2.0
115.05451	2.6
115.07566	3.1
116.98618	2.9
117.07012	11.4
119.04891	2.5
119.08588	24.1
121.06491	8.9
121.10156	14.7
122.06027	1.8
123.08080	38.4
123.11684	3.4
125.06006	3.7
125.09644	27.2
127.03882	2.6
127.07526	2.5
128.06279	2.2
128.84406	1.9
129.05492	2.7
129.07011	5.8
130.05025	2.4
131.04910	2.2
131.08585	17.4
133.06471	4.9
133.10170	10.0
135.08076	11.2
135.11685	12.0
137.06009	11.6
137.09608	8.9
143.08531	3.0
143.10718	2.7
145.06474	3.7
145.10138	16.6
147.04378	2.0
147.08051	10.3
147.11702	9.3
149.05913	3.1
149.09604	7.1
149.13304	2.5
151.03856	2.3
153.09087	4.5
153.12753	8.4
157.10129	6.9
159.08057	3.7
159.11716	6.2
161.09628	5.8
161.13313	1.8
163.07591	2.4
163.11163	22.2
165.09113	9.2
165.12840	2.2
171.10136	3.7
171.11555	2.9
173.09592	3.8
173.13303	2.8
175.11194	6.1
177.00681	2.0
177.05455	5.5
177.12698	2.8
181.12170	11.8
185.13329	2.2
189.00700	2.2
189.09538	1.9
189.11223	35.3
191.10689	10.8
193.12253	8.9
209.11710	4.3
217.07440	3.0
217.15781	2.2
223.13188	8.5
227.12784	13.5
227.17947	4.3
241.07410	4.0
245.13722	2.9
245.19092	4.0
249.14844	2.9
255.17372	4.3
259.08401	10.2
260.08871	5.1
263.20291	2.1
267.09039	6.6
267.15823	3.9
273.18530	30.0
274.18829	1.9
283.15411	2.8
285.10150	11.9
286.10275	3.2
291.19562	75.2
299.11743	2.6
300.11871	2.0
302.13910	2.2
309.20721	4.3
317.12543	2.5
335.64600	6.4
336.14792	3.0
339.64603	2.0
347.22064	3.4
348.65063	2.8
365.23279	22.8
373.67038	3.6
383.15356	4.4
383.24438	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.1
55.01872	19.2
55.05510	35.5
56.96561	16.7
57.03437	60.0
57.07072	4.4
61.02926	7.8
65.03934	5.7
67.05502	100.0
69.03436	21.8
69.07070	99.4
69.07430	3.1
70.62198	4.7
71.04987	42.6
73.02918	13.4
79.05486	77.3
81.03397	27.7
81.07059	99.6
81.92599	4.4
83.04977	21.0
83.08604	20.3
85.02910	19.9
85.06558	20.7
86.09700	5.2
89.22200	4.7
91.05479	81.2
93.07041	84.3
95.04975	41.7
95.08607	66.3
97.02884	12.3
97.06540	62.4
97.10163	11.1
98.97598	5.9
99.08089	70.9
103.03961	4.4
105.07029	65.8
107.04980	26.9
107.08598	47.3
109.02871	6.9
109.06512	37.2
109.10146	42.3
110.11096	4.8
111.04414	8.9
111.08094	13.9
113.05999	5.3
115.05454	6.7
115.07564	89.2
117.07041	21.9
119.08580	37.8
119.90865	4.2
121.06507	16.5
121.10155	26.0
123.04479	5.2
123.08057	13.4
123.11658	6.4
125.09618	8.4
127.07555	28.6
128.06210	5.0
129.07008	19.2
131.07060	6.9
131.08577	37.8
133.06454	10.7
133.10139	45.0
135.04399	4.8
135.08046	24.4
135.11723	14.7
137.05945	29.6
137.09618	6.7
141.06956	5.7
143.08562	15.2
145.02863	8.4
145.06430	6.0
145.10136	22.0
147.08058	13.4
147.11661	22.7
149.06023	6.4
149.09615	17.1
149.13268	9.6
151.11218	16.8
157.06467	4.3
157.10103	16.5
159.07939	4.5
159.11705	18.2
161.09657	20.1
161.13213	6.3
162.05457	4.9
163.11142	12.8
165.09023	6.4
165.12688	7.5
171.11678	8.0
173.09554	4.9
173.11798	7.1
173.13242	8.7
175.11191	6.3
177.05510	14.3
177.12724	5.1
183.11690	7.4
184.07387	6.8
185.13255	7.9
187.11104	5.6
187.14789	6.0
189.11243	7.3
189.12726	5.5
193.12274	11.7
199.14813	6.3
201.12909	5.0
203.10437	5.4
217.15903	19.2
221.15445	6.0
227.18002	6.8
230.08083	5.5
233.15421	8.5
235.17027	8.3
245.19063	14.1
253.14265	5.3
255.17442	10.3
259.08487	10.8
267.08990	6.8
273.18488	58.6
285.10110	13.4
291.19485	68.6
302.13910	11.8
314.10403	5.4
321.18854	5.4
329.14276	7.0
347.22104	14.2
365.23477	36.7
365.27798	6.9
383.15158	10.9
383.24524	88.0
388.79999	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	383.2427
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03936	4.1
55.01869	10.0
55.05296	2.5
55.05513	26.7
57.03432	10.4
57.07064	3.6
62.76890	2.4
67.05502	46.4
69.03418	5.8
69.07075	26.6
69.35809	14.2
69.36235	10.6
71.04976	2.8
79.05496	30.0
81.03406	9.4
81.07063	43.3
83.04993	6.9
83.08637	17.9
85.06541	3.8
91.05477	27.8
93.07043	23.1
95.04964	14.6
95.08623	18.9
97.02885	3.5
97.06537	7.9
97.10175	23.2
98.20692	5.2
105.07031	16.2
107.04070	2.1
107.04932	9.8
107.08595	20.1
109.06515	6.3
109.10143	22.3
111.04497	5.0
111.08119	3.3
111.70424	2.3
115.05447	4.0
116.84397	2.7
117.07030	8.8
119.04915	3.8
119.08589	20.5
121.06506	3.0
121.10164	12.4
123.08057	15.3
125.06003	2.7
125.09645	21.5
129.07053	4.1
131.04939	2.8
131.08585	8.3
133.06502	3.9
133.10126	11.5
135.08052	7.5
135.11729	3.9
137.05989	14.0
137.09602	11.4
141.07068	2.8
143.08574	5.8
145.10120	9.3
147.08037	8.4
147.11664	6.2
149.09569	5.1
151.07535	7.9
153.09113	3.6
155.08563	3.7
157.10110	4.2
159.11713	6.8
160.49104	2.8
161.09665	5.0
163.07603	4.1
165.09099	6.0
167.07076	3.5
171.11653	5.5
173.11765	8.0
175.11185	3.9
177.05473	3.4
187.13280	3.2
189.09207	4.1
189.11218	20.0
192.90482	2.4
193.12247	5.2
211.13219	4.4
223.13277	14.2
227.12794	10.9
227.17969	3.6
231.08006	3.0
245.13678	2.7
245.19040	3.5
255.17471	5.8
273.18484	22.8
291.19553	100.0
292.19714	3.0
297.09155	3.1
313.12006	2.8
327.10205	4.1
339.10144	10.0
347.22067	4.8
348.09192	2.5
355.13339	8.1
365.23257	68.1
383.12524	22.6
383.19131	6.4
383.24176	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01867	9.7
55.05513	18.0
56.96555	6.5
57.03442	33.9
57.07063	5.2
65.03939	6.3
67.05504	82.3
67.12679	2.4
67.98958	2.6
69.03419	7.9
69.07066	15.3
71.04976	6.9
71.59389	5.5
79.05490	32.9
81.03416	6.0
81.07055	39.9
83.04980	5.9
83.08638	2.8
85.06079	3.0
85.06548	36.9
91.05476	34.8
93.07046	35.8
95.04362	5.0
95.04969	84.6
95.08596	23.3
97.06549	4.5
97.10182	4.8
105.07023	31.6
107.04968	20.1
107.08588	30.9
109.06512	68.4
109.10170	30.0
111.08057	4.4
113.06010	98.0
115.05445	4.3
117.07023	19.0
119.08549	16.7
121.06496	10.5
121.10162	12.4
123.08063	7.5
125.05949	2.6
125.09660	3.2
128.06221	3.5
129.06985	11.4
131.08583	21.1
133.06490	8.2
133.10156	13.9
135.08044	58.7
135.11707	8.2
137.05962	16.6
141.06999	3.6
143.08617	12.7
145.10127	17.6
147.08008	8.0
147.11742	4.1
149.05991	3.2
149.09599	7.9
149.13245	6.7
151.07584	3.2
155.08646	2.5
157.10127	12.5
159.11678	7.1
161.05971	3.3
161.09602	12.2
161.13229	4.9
163.07585	3.2
163.11224	4.6
163.14755	2.8
169.10121	3.9
171.11734	7.4
173.11766	7.3
173.13249	4.5
175.11198	3.5
175.14728	4.1
177.05443	4.5
177.12791	5.4
183.11668	3.2
185.13220	3.9
189.11217	3.0
189.16415	3.1
193.08534	2.9
199.14873	4.6
201.12700	4.6
205.08612	3.0
217.15836	17.4
231.10527	2.9
242.07220	5.9
245.19209	4.1
255.17458	6.6
260.08243	3.2
271.07666	3.4
273.15793	5.2
273.18478	52.6
274.18784	3.0
291.19531	100.0
303.10104	31.9
304.10556	4.4
313.10675	3.0
319.09164	2.8
347.22171	12.7
365.23254	35.9
383.05646	9.9
383.14890	9.5
383.24216	17.4
383.29410	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	383.2428
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03953	2.4
55.01870	2.5
55.05509	15.3
57.03433	5.6
57.07086	2.5
59.05006	3.6
63.93915	1.9
65.03943	3.0
67.05506	100.0
69.07059	7.5
69.79977	6.0
69.80392	3.6
71.04995	4.1
77.53104	1.6
79.05491	16.5
81.03404	2.7
81.07053	32.2
82.01153	1.6
83.04964	3.4
83.08604	8.5
85.02888	1.8
85.06565	3.5
90.48947	1.5
91.05475	18.1
93.07047	13.1
95.04962	8.0
95.08595	16.7
97.06538	4.4
97.10192	2.4
103.47064	1.8
105.07033	12.7
107.04970	5.8
107.08598	12.1
109.10161	74.6
111.08078	3.4
111.29579	1.8
117.07040	4.1
119.08616	9.9
121.06486	5.3
121.10146	6.2
123.08070	4.3
125.09627	2.5
129.06998	5.4
131.04875	1.8
131.08582	7.1
133.06512	3.5
133.10132	11.5
135.08064	2.6
135.11719	1.8
137.05972	5.4
137.09563	4.2
141.07037	2.2
143.08578	2.5
145.06467	2.2
145.10124	6.5
147.08055	3.9
147.11700	3.5
149.09627	4.4
151.11211	3.6
151.30038	1.6
155.10658	3.6
157.10080	2.5
159.08014	2.3
159.11789	2.9
161.09576	4.2
163.11176	2.1
171.11774	3.4
171.67635	1.7
173.11746	25.9
175.11195	3.6
177.09200	2.9
183.11519	2.1
185.13315	2.0
187.14737	2.1
209.13351	1.9
229.07458	1.9
253.14424	2.9
255.17400	1.8
273.18555	8.8
291.19595	15.6
324.51819	1.8
365.23331	19.0
383.15753	3.3
383.24460	48.7
384.24588	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	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
53.60151	1.5
55.05503	2.6
56.96552	1.6
57.03432	6.1
57.07047	1.7
59.05001	4.6
60.04530	2.0
61.02919	5.6
65.03941	1.7
67.05489	3.5
69.03440	10.4
69.07064	4.1
69.79404	6.5
69.79815	2.3
70.06581	1.7
71.04990	9.0
73.02926	1.9
79.05487	7.3
81.03408	6.0
81.07060	31.1
82.83124	1.6
83.04967	3.4
83.21419	1.6
84.04504	2.8
84.08131	3.6
85.02901	16.7
86.09697	3.2
87.00819	2.8
91.05485	4.5
93.07057	9.8
95.04968	4.2
95.08612	12.1
96.08108	3.1
97.02884	7.0
97.06512	11.9
98.09669	2.5
98.97581	2.5
99.07481	2.4
99.08095	23.8
105.01888	3.6
105.07035	5.1
107.04922	1.6
107.08602	5.8
108.08141	1.7
109.02882	4.1
109.06516	2.5
110.06045	2.0
110.07167	6.0
110.09710	2.6
113.09636	1.9
116.98615	3.7
117.03385	2.5
117.09123	6.2
119.08590	2.6
120.25822	1.4
121.06424	1.7
121.10146	83.3
122.10500	1.9
123.04410	2.1
123.08067	4.1
123.11694	23.4
125.06004	10.1
125.09631	1.6
126.09155	4.1
127.03926	5.8
131.08585	8.4
136.06180	4.6
136.68536	1.6
137.05954	4.0
138.09151	2.1
139.11172	24.3
141.09091	19.9
144.05708	1.7
145.02831	3.5
145.04967	3.6
147.04430	1.9
148.06187	17.5
149.05948	1.9
149.09634	9.5
151.04005	1.8
153.12843	2.1
159.06656	3.6
159.08040	9.5
163.03833	3.3
167.10681	85.8
173.13028	2.1
175.09776	2.0
176.07065	1.9
176.10606	2.0
177.05473	6.1
177.09157	9.7
185.08286	12.5
185.11742	43.1
186.12119	1.8
189.09128	2.4
191.09238	2.6
202.08897	2.4
202.10863	15.0
203.12695	3.3
204.10202	5.4
216.10178	2.6
220.11928	46.9
229.10796	12.4
230.11800	4.6
230.15273	1.6
232.13367	2.1
237.02927	2.0
241.12144	2.5
258.14935	25.2
260.12955	2.2
273.13538	15.3
274.18039	4.3
291.14661	6.3
302.17493	68.7
303.17892	2.5
320.18570	86.3
321.18744	3.0
346.20059	9.2
364.21207	25.9
382.12003	3.0
382.17264	37.9
382.22223	100.0
383.22513	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	382.1716
Annotation	O-beta-D-Glucopyranosyl-cis-zeatin
Peak:m/z	Relative Intensity
53.03937	2.2
54.52085	1.5
55.01878	1.6
55.05510	1.8
56.05016	2.1
56.96558	2.3
58.06537	1.1
60.33235	1.5
61.02907	3.6
62.54312	1.2
67.05501	3.8
69.03423	11.2
69.07087	2.6
70.06588	3.4
71.04986	1.7
71.48834	1.5
73.02916	3.0
79.05500	3.2
81.03417	6.5
81.07065	9.8
83.04983	2.5
84.04485	2.7
84.08141	2.5
85.02909	18.8
85.06539	2.1
86.09708	1.8
87.00822	6.4
91.03939	1.5
91.05476	4.4
93.07037	1.6
97.02881	10.1
97.06517	3.3
98.06046	1.5
98.09669	4.2
99.04475	4.5
99.08095	50.0
105.01865	9.2
105.07047	2.5
107.08582	3.3
108.08147	2.1
109.02890	5.5
109.06500	2.2
110.07167	1.8
110.09690	3.9
111.04462	1.6
117.03404	1.8
117.09145	10.0
123.04377	1.8
126.09157	6.1
127.03916	12.9
131.08559	9.0
136.06184	100.0
137.05972	3.5
138.09119	2.2
139.38374	1.6
141.09084	2.9
144.05762	1.6
145.02885	2.5
145.04982	5.0
147.04411	4.8
148.06207	2.3
149.06006	3.0
156.07794	2.3
159.02887	2.8
159.08044	15.8
162.05460	2.0
162.37743	1.3
163.03949	3.3
167.10687	4.5
176.10724	4.5
177.09149	13.6
183.29956	1.4
185.08180	6.9
185.11768	5.1
189.09134	2.2
202.10857	6.9
202.75070	1.4
204.10213	4.4
206.11769	1.8
208.05951	1.5
218.11671	3.0
220.11926	87.1
221.12376	1.5
229.10910	2.1
230.11873	4.4
231.04930	3.4
249.06044	2.1
258.14908	6.5
274.18057	6.1
284.16388	1.8
292.18719	1.7
292.22296	1.4
302.17487	40.1
320.18634	7.7
346.20148	13.9
348.12772	1.5
364.21091	11.0
380.60916	1.5
382.17145	37.0
382.22226	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1709
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
52.74842	0.7
53.98572	0.7
54.38388	0.7
57.03444	1.1
57.07072	1.9
59.04991	1.7
61.02918	1.1
67.05489	2.3
69.03426	2.8
69.07059	2.5
70.02948	2.0
70.87566	0.7
71.04995	0.8
71.57612	1.1
72.04510	7.5
73.02905	1.9
81.03412	1.1
81.07076	1.0
84.04412	0.8
85.02890	5.6
85.06530	5.2
86.09700	1.4
87.08106	1.3
90.05556	56.6
92.06138	0.7
95.04975	3.1
96.08115	1.1
97.02891	1.6
98.02396	5.2
99.08090	1.4
100.03992	1.4
103.07592	2.9
105.07047	1.4
113.06002	1.7
115.07575	1.0
116.03468	8.8
124.07579	9.9
127.03926	1.1
132.78456	0.8
142.08627	3.3
145.05011	0.8
148.89888	0.9
156.10271	0.8
160.09698	1.5
163.03911	1.2
166.08624	1.1
174.11342	1.2
184.09702	10.2
202.10735	18.6
220.11806	100.0
221.12070	0.8
374.78198	0.9
383.09293	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78146	1.5
67.23912	1.7
67.96624	1.5
70.17368	8.0
103.42934	1.8
117.43961	1.7
144.92726	1.6
172.71387	1.5
275.44516	1.6
293.84958	1.7
358.38040	2.0
381.07922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18519	0.2
53.03942	0.4
55.01875	0.3
55.05508	0.7
56.96568	0.6
57.03426	0.7
61.02929	0.2
63.02387	0.4
64.65517	0.2
67.01865	1.9
67.05506	1.4
68.14107	0.2
69.03430	0.5
69.07065	0.7
71.04996	0.4
79.05480	1.0
81.03406	1.2
81.07047	1.2
83.04974	0.4
83.08620	0.4
85.02908	0.8
89.03912	3.8
91.05479	1.7
93.07024	1.1
94.06582	0.3
95.04969	0.4
95.08607	0.8
97.02898	0.3
97.06551	1.0
98.06844	0.3
98.97616	0.3
99.04453	0.6
103.05439	0.2
105.07041	0.5
107.04916	0.4
107.08598	0.8
109.02879	1.9
109.06530	0.4
109.10160	0.6
111.04447	0.2
111.08053	0.2
117.03378	14.5
117.06997	0.2
119.08591	0.5
121.06502	0.7
121.10123	0.5
122.06026	0.5
123.04488	0.4
123.07999	0.3
125.05935	0.2
127.03914	4.2
131.04880	0.3
131.08574	0.6
133.10106	0.5
134.03648	0.9
135.04424	1.1
135.08096	0.3
135.11636	0.2
137.05966	0.7
145.02838	46.3
145.10101	0.4
146.03207	0.7
147.04424	0.3
147.11626	0.2
149.01187	0.3
149.05975	6.4
150.05482	0.3
157.10162	0.3
158.06053	0.2
159.08046	0.4
159.11697	0.3
161.09671	0.2
163.03897	0.6
163.11163	0.2
173.09566	0.2
173.13304	0.3
175.07683	0.2
175.11272	0.2
177.05460	100.0
178.05817	1.5
185.06006	0.3
186.05502	1.9
187.07486	0.3
191.14287	0.2
195.06502	0.6
200.07063	0.3
203.10799	0.2
219.13986	0.2
228.10272	0.3
229.24182	0.2
232.13336	0.8
238.08644	0.2
243.06546	0.6
264.09949	0.2
268.40533	0.2
285.07532	1.6
285.10263	0.3
289.17984	0.6
300.12097	0.4
303.08603	10.3
304.09082	0.3
317.08728	0.2
337.19879	0.2
345.18982	0.3
363.19833	0.2
364.15137	1.1
364.19095	0.2
369.14465	0.3
381.11554	0.5
381.17978	0.6
381.22076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.5
55.01863	5.5
55.05515	31.9
56.96572	6.4
56.99292	3.2
57.03428	8.1
59.06119	3.7
61.02924	4.4
67.05495	3.9
69.03427	35.5
69.07059	3.3
70.06596	17.4
71.04995	12.0
71.06924	3.1
71.57466	3.2
72.08149	4.4
73.02901	4.4
73.06555	73.0
79.05489	3.0
81.03418	39.7
81.07060	3.6
82.07362	2.3
83.01366	3.1
83.04977	3.9
84.04510	5.0
85.02904	88.3
86.09702	3.7
87.04456	4.9
89.03915	2.7
91.05423	3.8
93.07020	5.2
95.04932	3.7
95.08588	5.5
97.02277	5.0
97.02893	79.9
97.06525	2.2
98.97576	6.7
99.04455	47.9
99.69366	2.3
100.63451	2.5
101.06023	62.8
103.03300	4.3
103.03941	59.6
105.07036	2.8
107.08595	3.4
109.02875	38.4
112.02192	4.5
112.07599	8.3
113.07973	3.2
115.03907	3.6
115.07584	2.8
116.98617	4.9
117.03351	3.8
119.05049	3.3
120.08179	2.6
123.04369	3.1
123.08099	3.0
127.03925	100.0
128.04372	2.5
129.05450	3.9
130.03195	6.3
132.04440	5.1
134.99641	3.4
135.04411	4.7
135.11673	4.1
135.99118	2.4
137.05949	8.0
140.07083	4.8
141.07449	3.2
141.09091	3.7
145.02843	11.4
145.04977	21.2
147.04390	9.5
149.04753	4.0
149.05923	4.1
150.05486	6.4
157.08606	7.0
158.99637	3.1
163.02777	4.2
163.04045	4.4
163.05708	2.1
169.08673	5.7
177.00670	4.8
177.05440	16.5
181.08572	6.2
187.05962	7.5
195.07806	3.0
199.09608	18.3
200.07066	2.9
201.00775	3.0
213.06992	3.6
216.08850	5.1
217.10701	6.8
219.01660	2.8
223.11011	2.7
227.03517	3.7
237.02832	3.4
253.07040	3.9
259.11795	28.1
269.10547	4.9
271.08206	4.1
277.12903	3.0
339.94794	2.6
379.09622	11.9
379.23199	3.1
380.20557	3.4
389.15274	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	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.7
57.03424	0.7
65.03940	0.7
67.05479	0.8
69.03426	1.3
69.07043	0.9
69.94569	3.1
70.06575	1.3
74.06084	0.7
74.20380	0.6
79.05476	1.6
81.03423	1.2
81.07030	0.8
84.04499	1.7
85.02889	2.5
87.84435	0.6
91.05479	12.3
93.07034	0.8
95.04984	0.8
95.08595	0.9
96.08105	0.8
97.02891	1.3
97.06509	1.3
98.21444	0.9
99.04422	1.1
100.85637	0.7
101.06020	0.7
105.07053	1.6
107.04908	1.5
107.08591	1.2
109.02874	1.4
119.08547	0.7
121.10159	0.8
124.03959	1.4
127.03893	1.0
131.08516	0.9
137.05981	1.3
141.52437	0.6
145.10095	0.7
149.09637	0.9
164.07056	2.0
176.10800	0.6
181.04964	1.1
189.09100	0.8
192.59380	1.0
224.09259	0.9
227.05151	0.8
229.10965	1.4
230.11456	3.0
258.14941	3.7
259.15219	8.6
271.04163	1.9
274.13867	0.9
293.09793	3.0
300.15918	0.7
302.17368	1.2
303.17746	4.0
316.13345	0.8
317.10001	1.2
318.16885	1.3
329.10745	0.9
335.11008	22.5
335.19980	2.9
347.12546	1.0
350.12686	0.9
361.21964	1.0
379.09909	100.0
379.23141	4.3
380.10190	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.4
66.47080	2.0
67.05503	3.3
69.03416	5.1
69.07069	4.1
69.91539	10.2
70.06568	1.7
77.65757	1.8
77.90865	2.2
79.05471	2.9
81.03416	3.5
81.07063	4.3
84.04508	3.6
85.02885	8.0
86.09734	1.7
87.00854	1.8
91.05473	2.0
93.07052	1.8
97.02837	2.2
97.06506	2.0
98.97581	2.7
99.04475	2.3
105.07018	3.5
107.08605	2.4
109.02814	2.5
111.08051	3.1
117.07014	4.4
119.08527	3.2
127.03864	3.5
131.08565	3.5
137.05978	4.2
140.80109	1.7
145.10088	6.3
147.11676	2.3
152.06944	1.8
157.10115	3.3
159.11630	7.7
165.06993	1.9
175.07434	2.2
177.05557	2.0
183.11646	1.9
187.11137	3.7
197.12979	2.4
199.11285	2.0
201.12677	2.5
204.10091	2.3
219.01675	2.4
225.12747	1.8
237.02779	5.8
243.08766	2.2
248.12747	6.3
255.13695	2.9
273.14703	2.8
335.10077	4.1
359.14966	3.4
362.86691	2.0
377.11945	100.0
378.12183	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	378.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01853	4.0
55.05512	8.4
57.03435	1.9
65.03922	1.5
67.05508	14.3
69.03445	2.7
69.07064	5.4
70.85570	2.4
70.85905	2.2
71.04964	3.0
79.05497	19.6
81.03419	49.0
81.07055	19.2
82.03728	1.3
83.04976	6.7
83.08620	16.8
85.06528	2.6
91.05480	51.4
93.07048	13.9
95.04966	19.7
95.08595	8.3
96.98280	1.1
97.02860	2.3
97.06519	3.5
97.10171	3.7
99.08073	1.4
103.05444	1.3
105.07024	18.1
106.01263	1.0
107.04958	7.8
107.08588	13.4
109.06519	5.8
109.10172	3.0
111.04406	1.4
111.08054	7.7
115.05462	1.9
117.07030	3.2
119.04931	17.6
119.08588	12.3
121.06478	2.2
121.10155	8.6
123.04418	3.6
123.08048	3.6
123.11680	1.4
129.07011	8.3
131.08603	12.8
133.06491	5.1
133.10141	10.6
135.04405	8.0
137.05983	100.0
137.09636	1.9
138.06322	2.2
141.07030	1.8
145.06467	2.2
147.04398	12.1
147.08041	5.2
147.11688	13.6
149.06021	5.6
149.09624	13.0
155.08624	1.1
157.05029	1.0
157.06458	2.1
157.10110	13.8
159.08086	2.1
161.05954	16.3
161.44417	1.1
162.06241	1.2
163.07529	4.2
165.12758	4.1
173.06033	9.1
175.07553	7.4
175.11185	13.7
183.08081	1.5
187.07536	11.3
188.08176	1.2
189.09090	3.3
193.12254	47.1
194.12549	1.5
199.07562	5.6
201.09137	4.5
207.13898	1.3
213.09123	2.5
215.10727	2.1
225.14850	22.7
227.10663	1.9
257.15323	1.5
267.13748	1.2
285.14948	7.3
293.15280	1.6
301.17966	1.9
311.16382	14.6
317.17462	8.6
329.17444	21.4
343.19040	30.8
344.19446	2.2
360.21750	10.6
361.20065	36.6
362.20480	2.4
378.22757	79.8
379.23093	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	377.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47637	1.7
51.95278	1.9
61.23750	2.0
69.03422	2.4
70.98213	4.5
70.98585	2.9
75.43206	1.8
84.08150	2.2
85.02884	2.5
129.05440	2.5
152.55719	2.0
175.40303	1.8
333.09558	5.1
377.08459	100.0
377.12494	3.5
378.07971	3.5
392.42441	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	0.9
55.05495	0.6
56.05031	0.5
56.63745	0.4
56.96557	1.7
57.03423	1.5
61.02924	2.4
66.53654	0.4
69.03429	3.4
70.06593	1.0
70.21733	1.3
70.22140	0.6
71.04987	0.5
73.02910	1.6
81.03411	1.2
84.08128	0.7
85.02897	6.5
86.03250	1.0
86.09704	0.6
91.05477	2.9
93.07038	4.6
95.04975	1.1
97.02891	2.3
98.03203	0.4
98.97563	0.8
99.04458	1.1
103.05460	3.1
109.02880	1.1
115.03899	0.6
116.98631	0.8
117.01840	0.4
119.01972	1.9
120.02011	1.0
121.06506	100.0
122.06814	2.1
123.04424	0.4
127.03934	2.7
128.04262	0.7
131.01923	0.8
133.03436	0.4
137.05901	0.4
138.09143	36.5
139.09485	0.8
143.01921	1.0
143.03387	0.5
145.03505	0.6
145.04941	1.3
146.99678	0.4
148.03867	0.7
149.02974	1.2
150.03105	0.9
155.01906	0.5
156.01816	0.7
157.02556	1.0
157.04463	0.6
161.03003	1.7
162.03056	1.1
163.02660	0.5
165.00642	0.5
173.03018	1.2
175.00964	0.7
175.02669	0.6
175.04630	0.8
176.01118	0.5
185.02953	1.0
186.03152	0.7
189.02364	0.5
190.02658	0.6
190.98648	0.6
197.02165	0.6
199.04659	0.5
203.04027	1.0
204.55670	0.8
205.02036	0.4
205.03891	0.6
206.02599	1.1
208.04405	0.5
213.06129	0.6
213.56364	0.9
219.03465	0.5
220.03937	0.5
221.05096	0.5
232.99747	0.6
237.02826	0.5
242.03569	1.0
245.05045	1.6
246.01564	0.7
246.05128	0.6
247.05011	0.7
251.53017	0.4
256.53448	0.5
264.06836	0.4
274.00974	0.7
276.05832	0.5
288.06656	0.5
294.58990	0.4
305.07382	0.6
306.03992	0.6
306.07281	0.6
316.02109	0.5
334.03247	0.6
344.01584	0.4
367.08932	0.4
377.14279	0.5
384.63574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1651
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
55.05514	1.7
56.96564	2.4
57.03429	3.3
60.04554	1.4
61.02917	3.8
65.98664	1.2
67.05479	1.4
69.03428	10.1
69.07056	1.9
70.06577	3.2
71.04996	2.2
72.08151	3.2
77.75502	1.3
79.05472	4.1
81.03408	4.5
81.07050	3.9
83.04977	4.5
84.04509	2.1
84.08147	3.4
85.02895	20.8
86.09699	8.7
87.04491	1.5
88.40771	1.3
91.05473	12.1
93.07024	5.2
95.04967	2.1
97.02883	5.7
97.06554	1.7
98.97571	1.4
99.04458	3.4
101.02393	1.4
105.07030	8.8
107.04957	2.5
107.08589	15.5
109.02860	4.3
109.06494	2.3
111.04428	2.3
117.03339	1.6
119.04908	2.1
119.08572	18.5
121.06477	2.2
121.10120	5.6
123.04379	2.1
127.03907	11.2
127.07545	8.8
130.43898	1.4
131.08583	8.9
133.10136	2.5
135.04398	2.4
135.08061	3.2
136.07516	1.4
137.05962	5.5
145.02821	3.0
145.04961	3.7
146.03230	2.5
147.04401	2.3
147.08086	7.6
149.09631	7.9
159.08047	2.9
163.03859	7.8
165.09099	11.5
167.10674	2.8
177.05472	4.4
177.09102	8.5
178.05818	6.8
195.06544	2.8
195.10129	11.2
196.06828	3.5
213.11206	100.0
231.05226	1.7
237.02835	1.8
253.35881	1.5
317.58813	1.4
331.13513	4.8
375.12549	19.7
375.16147	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55065	0.6
53.03938	1.6
55.01863	1.1
56.96562	1.2
57.03449	0.7
60.04513	0.6
61.02906	0.9
69.03429	5.1
69.38096	5.1
70.06594	1.2
71.05013	0.6
72.08150	1.6
72.49097	0.6
73.02917	1.2
81.03411	3.2
81.07058	1.2
83.04969	1.3
84.04489	0.8
84.08146	1.6
85.02908	9.5
86.09700	2.7
87.00823	2.3
87.10029	0.8
89.03931	0.9
91.05477	2.0
93.07060	1.5
95.04969	0.6
95.08559	0.7
97.02902	3.5
98.97609	0.7
99.04454	1.7
105.01865	1.0
105.07023	1.6
107.08596	2.6
109.02886	4.5
111.04470	0.7
116.98629	0.8
119.04925	1.0
119.08575	4.4
121.10156	1.3
127.03915	100.0
127.07505	1.8
128.04271	1.2
131.08588	1.8
135.04445	1.3
135.08070	0.9
137.05956	1.3
145.02803	1.3
145.04962	1.7
147.04405	1.6
147.08012	1.7
149.09581	1.4
157.21964	0.6
159.02931	2.4
159.08047	0.8
163.03922	3.9
164.04300	1.0
165.09087	1.5
167.10635	0.8
172.25658	0.6
177.00632	0.6
177.05441	1.6
177.09109	1.3
178.05820	1.3
179.05814	0.6
195.10199	2.0
196.06816	1.0
213.09503	0.8
213.11211	20.0
214.67345	0.6
231.05138	1.1
331.13580	1.1
375.07730	0.9
375.12476	4.2
375.16684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
65.03938	6.6
67.05507	1.1
69.03424	3.4
69.37218	7.6
79.05489	1.2
81.03403	3.1
81.07051	0.9
85.02907	2.4
88.49834	0.8
91.05464	1.7
92.04994	3.6
93.07039	2.0
94.06563	2.2
95.07369	0.9
96.08127	3.3
97.02922	1.1
103.05454	0.7
105.07018	1.3
107.08610	0.8
108.08125	7.5
109.02888	1.6
110.09680	5.8
116.04974	2.2
120.04465	9.6
120.08128	4.3
122.06030	4.5
124.07560	2.1
125.09610	0.9
127.03902	2.9
127.95500	0.7
134.06012	0.9
136.07561	4.7
138.09142	7.2
143.08635	0.7
144.04454	4.9
146.06036	1.0
148.03926	100.0
149.04295	1.4
154.08598	1.4
162.05511	4.5
164.09782	0.7
166.05003	41.9
166.08633	19.3
172.03947	21.9
174.05339	0.8
190.04990	8.6
204.06557	37.1
209.65314	0.8
222.07542	1.5
227.11850	2.1
243.08658	0.9
243.11205	1.1
251.57211	0.7
252.73592	0.8
255.11281	20.1
273.12332	12.9
283.10742	19.5
296.21561	0.8
301.11835	95.6
302.12173	1.5
319.12848	7.9
325.11743	1.5
343.12854	28.5
357.14526	2.1
375.12900	4.4
375.19656	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	374.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61788	0.7
56.96542	0.9
66.06176	0.8
67.05488	2.7
69.07058	1.0
70.71748	1.1
70.72096	1.6
71.65506	0.7
79.05506	3.8
81.07068	1.8
91.05479	3.7
93.07048	1.7
93.28383	0.8
95.08598	1.4
96.08136	2.1
105.07027	3.9
107.04945	2.4
107.08599	1.3
109.06456	0.8
111.04496	0.8
115.05434	1.1
117.07025	13.6
118.07343	0.7
119.04960	0.8
119.08601	8.3
121.06474	0.8
121.10078	0.8
124.07616	0.9
128.06137	0.8
129.06998	1.7
130.07765	2.1
131.08540	3.0
133.06491	1.0
136.07581	0.9
137.05960	3.0
138.06305	2.1
143.08543	4.8
145.06480	2.3
145.08965	0.9
145.10110	14.2
147.08080	2.1
147.11685	2.1
155.08598	6.1
157.10129	1.8
158.07231	0.9
159.08083	0.9
160.11214	2.0
161.09538	0.7
167.07138	1.1
167.08554	1.0
169.10120	1.7
171.08086	1.0
171.11641	1.2
173.06027	6.7
173.09605	3.1
181.10129	1.3
183.11638	2.8
188.10728	3.3
189.09019	0.8
192.09303	1.8
197.13188	4.9
201.09158	2.4
207.11725	1.3
214.08521	1.5
214.16028	1.0
216.10205	100.0
217.10522	4.8
225.12743	2.8
225.16428	1.6
227.11243	1.5
242.15436	1.4
244.13350	21.9
245.13779	0.9
252.13968	1.3
253.12259	3.4
270.14883	36.2
271.15182	1.6
281.15198	0.9
298.18005	20.4
298.21396	1.1
298.86157	0.7
299.18118	1.0
302.17508	78.4
303.17786	4.6
307.53674	0.7
330.20639	56.4
331.21051	4.4
333.19089	7.2
351.20135	3.1
374.19571	15.5
374.23956	1.4
375.20093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44990	0.6
56.96569	27.1
67.05495	0.6
69.07052	0.7
69.83062	2.2
69.83459	1.1
71.95271	4.1
72.96056	1.1
74.97618	1.6
79.05464	0.8
84.96024	2.1
92.98639	0.9
98.97541	1.0
99.45092	0.6
110.97564	3.5
115.97813	1.2
121.39691	0.6
123.01214	0.9
128.98621	12.2
129.09142	0.9
133.98877	1.2
141.02266	0.8
143.00156	1.0
146.99661	16.3
149.01224	1.2
152.00090	1.1
155.03804	1.1
161.01247	2.9
161.04977	0.7
165.00714	4.7
170.01270	1.6
173.62334	0.7
175.02817	0.8
179.02235	1.5
185.04945	1.1
189.04356	1.9
194.59541	0.6
203.05902	1.6
208.06215	0.7
235.10188	0.8
241.11241	1.1
245.10628	1.0
249.07925	0.7
255.12640	0.8
259.12234	2.2
261.08102	0.7
263.09528	5.3
264.10297	1.0
265.11203	0.7
270.11365	1.7
277.11343	0.7
281.10623	1.3
282.11465	0.8
283.12173	0.7
284.44641	0.7
286.11081	0.8
303.12701	1.6
313.14594	1.0
315.16281	38.0
316.16751	2.0
317.14316	0.9
321.13745	1.0
331.15811	3.4
333.17377	100.0
334.17746	3.4
351.18445	45.3
352.18781	1.8
356.18994	25.5
357.19226	1.8
374.20010	9.8
397.21356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01860	1.7
55.05520	1.3
56.96564	3.4
57.03431	1.0
58.99858	0.8
61.02925	4.3
63.54430	0.5
69.03420	2.0
70.06575	1.6
70.98125	1.1
71.01348	1.2
71.57364	0.9
72.08160	0.9
73.02913	1.1
77.00892	1.3
81.03419	1.4
83.04977	0.8
84.04507	1.0
84.08128	2.2
85.02896	4.2
86.09698	1.3
87.10692	0.6
88.99121	0.7
91.02440	1.2
91.05452	3.9
93.07043	4.5
95.04984	1.0
97.02907	2.8
98.97607	1.1
99.04459	0.7
100.02213	1.4
101.00889	1.0
103.05495	3.6
103.29235	0.5
109.02860	1.0
109.03498	2.1
111.00231	2.0
116.98647	1.1
117.00226	0.9
117.01855	9.9
118.01045	1.7
119.01921	6.1
119.04961	0.9
119.08553	0.7
120.00799	1.4
121.06508	100.0
122.06857	1.7
123.00202	0.9
125.02657	1.4
126.00745	2.0
126.01938	0.5
127.01575	5.8
127.03910	4.7
128.98633	0.8
129.10205	1.2
131.01878	1.4
131.90059	0.5
133.01547	2.9
133.03485	1.1
135.01257	1.4
136.02061	1.7
136.06213	1.2
137.02971	2.1
137.05960	0.9
138.09146	28.2
140.00464	0.6
142.02043	1.5
143.01884	1.3
144.99777	1.2
145.03470	0.9
145.05014	0.7
146.99588	1.1
147.01312	1.1
147.04424	2.4
147.05753	2.2
148.02028	0.8
148.07605	1.6
149.02954	8.5
150.05490	0.6
151.04506	1.5
152.07065	0.9
154.00232	11.1
154.50414	0.7
156.01859	1.7
159.03035	0.7
160.00258	0.9
161.00977	2.8
161.02959	2.6
162.03145	0.9
163.00775	0.8
163.02675	0.6
163.04657	2.7
164.07068	1.0
165.00780	1.2
165.02362	0.7
165.51001	0.9
166.00146	3.2
166.04820	0.7
167.01004	3.4
167.04066	3.8
169.00844	1.2
172.04617	0.5
172.95326	0.8
172.97662	1.1
173.02968	1.3
175.00839	6.3
176.01537	4.0
176.07112	1.9
177.02536	1.3
178.51930	0.8
180.06555	0.7
181.00793	1.2
181.05603	0.9
183.49008	0.6
184.01300	2.4
185.02930	0.7
186.99266	0.7
187.00816	1.8
187.50858	0.9
189.00830	1.0
189.02409	4.3
190.96286	0.7
190.97000	0.7
190.98656	6.1
191.04050	1.3
193.01923	3.6
194.08208	1.5
196.01266	12.5
196.05873	1.4
196.51498	1.5
197.01923	0.6
201.02367	0.8
203.03867	0.7
205.01828	14.7
205.03639	1.2
205.51970	1.7
206.02452	1.0
207.03545	1.9
207.52127	1.2
208.99754	1.8
212.09282	2.0
214.02367	2.3
216.52638	1.9
217.02036	1.1
218.02481	0.7
219.03555	1.6
221.05060	1.4
223.01308	1.7
226.02295	6.9
226.06941	1.1
226.52689	0.8
227.00316	1.0
227.03070	0.8
230.03476	0.7
232.99561	1.1
235.02928	9.3
235.53055	2.1
237.04640	1.0
238.02371	4.1
245.01463	5.4
245.05400	0.6
246.53741	1.9
247.02905	4.7
247.07399	1.6
247.53226	0.9
248.03583	1.5
256.03412	6.7
256.53366	1.0
257.04214	1.7
259.03107	1.8
273.00977	5.1
277.04077	2.2
287.02661	3.0
305.03558	5.8
315.02100	1.5
326.38275	0.6
328.05417	0.6
333.03131	1.8
333.10510	0.9
347.04721	0.7
374.07175	1.1
374.14517	4.2
374.23218	0.9
375.11365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40365	0.4
53.03934	0.7
54.65757	0.3
55.01867	0.9
57.03418	1.3
59.04334	0.3
61.02922	2.4
66.75073	0.3
69.03422	4.3
69.54105	0.4
70.06581	0.6
70.86730	0.9
70.87063	0.5
71.04978	0.9
72.08150	0.5
73.02906	0.6
79.05477	0.5
81.03428	2.3
81.07043	0.7
85.02904	15.4
86.09696	0.5
89.03904	3.2
91.03942	1.2
91.05466	1.3
92.18208	0.4
97.02882	4.4
98.97574	0.8
99.04456	0.8
102.56219	0.5
102.59670	0.4
107.04987	0.5
109.02876	2.4
111.04402	0.7
116.98584	0.5
117.03386	9.8
119.04964	0.4
121.06466	0.8
127.03928	4.1
134.03619	0.7
135.04396	1.5
145.02844	35.1
145.04781	4.5
146.03174	1.1
147.04414	1.3
149.05986	5.0
153.05467	0.8
153.78734	0.4
162.03169	0.7
163.03946	2.2
177.05469	100.0
178.05823	2.1
180.08667	2.6
186.05490	1.0
195.06531	62.3
196.06863	1.8
212.09245	0.5
213.11160	0.8
307.54639	0.4
326.09576	0.5
374.13675	0.7
374.18671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01877	3.3
57.03433	2.4
60.92470	0.9
61.02934	2.5
65.03944	2.8
68.99792	1.7
69.03436	14.4
70.99275	2.3
70.99593	1.1
71.05012	2.3
73.02917	3.2
81.03429	11.3
85.02908	45.4
85.11728	1.0
86.09712	4.4
87.00836	17.6
90.40714	0.9
91.05484	100.0
92.05811	2.4
97.02887	15.5
99.04462	6.1
103.92991	1.1
105.01867	36.6
108.04510	2.4
109.02892	16.0
112.37789	1.2
115.03993	1.4
117.01793	1.5
124.64129	1.0
126.05503	1.1
127.03917	38.0
129.07033	1.3
133.06502	1.5
145.04970	21.0
145.06451	2.7
147.02870	1.4
157.06519	1.2
159.02916	6.3
166.12415	1.3
171.08138	1.5
174.09250	1.1
175.07515	2.3
181.06549	1.2
189.03981	4.6
195.06400	1.4
199.07536	2.6
213.04015	2.3
217.08589	2.0
230.06621	1.7
231.04988	12.8
248.07732	2.1
249.06036	5.6
321.09619	2.2
339.11075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01889	1.6
55.05495	1.6
57.03438	4.6
58.73415	1.3
65.03919	2.9
67.05495	2.2
69.03433	29.3
69.07075	5.9
70.06593	1.5
71.04990	3.5
71.56670	2.3
74.06075	4.0
81.03426	17.5
81.07077	1.6
83.01360	2.1
83.04990	1.8
84.04514	6.6
84.08136	2.0
85.02914	29.4
86.06073	2.3
86.09708	28.2
87.00836	13.1
87.04462	2.0
91.05485	100.0
93.07072	1.4
95.04983	1.5
95.08600	2.6
97.02897	39.8
97.06547	1.6
98.97595	2.4
99.04456	13.1
99.08123	1.1
101.02388	2.1
102.05542	2.4
103.03943	1.5
105.01871	11.1
105.07073	2.0
107.08597	2.5
109.02888	8.9
109.10183	1.7
111.04407	1.4
115.03942	1.6
116.10751	4.4
116.98650	2.5
119.04959	1.3
119.08646	1.5
120.08137	1.6
120.42748	1.4
123.04460	2.3
123.35188	1.2
124.07620	2.2
125.09682	1.4
127.03922	46.1
129.06621	2.1
130.05058	1.4
132.10214	7.6
133.10088	1.2
134.10478	1.8
136.06207	1.3
136.07584	2.0
137.06001	4.0
138.09143	2.8
143.03380	2.0
145.04964	25.4
157.06503	1.6
163.07478	1.9
167.07059	4.7
171.02975	2.2
171.08101	1.5
177.05446	1.7
193.15915	1.6
194.16273	1.8
195.06502	1.8
195.10126	1.9
197.12910	4.1
212.12822	9.3
212.16423	3.8
213.03899	1.5
215.13965	5.5
217.08545	1.3
225.12450	1.4
230.17520	6.4
231.05025	23.8
243.13445	1.9
249.06029	10.6
306.09546	1.5
338.09131	1.5
374.18918	14.6
375.12735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2373
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
53.03958	2.5
55.01881	2.0
55.05509	8.5
56.96558	4.4
57.03432	3.0
61.02928	3.4
61.67796	1.3
65.03938	2.3
67.05508	23.4
69.03429	4.5
69.07069	8.5
71.04987	3.4
71.13723	3.0
73.02940	2.6
79.05494	27.5
80.94183	1.4
81.03426	9.1
81.07058	39.5
81.07523	2.8
83.04988	5.2
83.08636	6.1
85.02922	4.3
85.06537	2.3
91.03966	2.3
91.05467	28.3
92.05000	2.1
93.07043	34.5
94.06571	1.7
95.04983	10.8
95.08611	26.0
95.09167	2.4
97.02914	5.2
97.06538	10.0
97.10202	2.1
99.04465	1.4
103.05475	3.2
105.07024	38.0
107.04948	9.8
107.08595	32.6
109.02903	5.2
109.06535	9.6
109.10181	12.5
110.06017	2.0
111.04465	6.8
111.08102	2.4
113.06032	1.4
115.05486	2.3
116.98605	1.7
117.07012	11.4
119.08584	27.9
121.06544	3.9
121.10133	27.1
122.06044	5.1
123.04458	2.3
123.08093	3.0
123.11719	3.5
124.32967	1.4
125.05990	46.5
125.09672	4.1
127.03954	1.9
128.06281	2.7
129.06999	9.2
131.04958	3.7
131.08569	22.6
133.06461	3.4
133.10138	23.3
135.04456	4.1
135.08061	3.4
135.11684	10.7
137.05981	16.8
137.09697	1.8
139.03941	5.4
139.07629	1.8
141.06985	3.7
142.07820	4.6
143.08562	11.1
145.06500	3.5
145.10117	24.8
145.11113	1.9
146.99608	1.4
147.04501	2.1
147.08040	3.4
147.11697	21.9
149.05971	4.1
149.09618	3.2
149.13313	6.2
151.03944	3.0
151.07457	1.8
153.05470	40.9
153.06747	2.4
155.07082	24.1
155.08604	9.5
157.10124	15.5
159.08069	3.7
159.11691	34.6
161.06038	2.9
161.09705	3.1
161.13231	13.4
163.03967	3.5
163.07591	6.0
163.11137	2.5
165.07059	2.2
165.12805	1.6
167.07057	4.9
167.08530	3.3
169.10060	6.9
171.11722	8.4
173.05995	1.8
173.13283	8.5
175.07660	4.6
175.11278	4.4
175.14809	17.1
175.16040	1.5
177.05614	2.6
177.09177	4.3
179.07076	3.6
179.08571	2.0
181.06769	1.5
181.08690	2.7
181.10201	4.8
181.80510	1.5
183.11696	9.6
185.09715	1.8
185.13210	10.7
187.14781	9.0
189.09148	5.0
189.16388	7.0
191.10681	2.4
193.08617	2.7
193.10199	2.1
193.12360	2.1
195.08054	2.1
195.10222	2.3
195.11697	9.0
197.09674	1.8
197.13345	5.2
199.14935	5.6
201.05556	1.8
201.12788	2.1
201.16368	21.2
201.18002	2.0
203.10745	4.1
203.18042	2.9
207.10075	2.2
207.11852	3.5
209.13304	5.5
211.14909	5.0
213.12747	1.9
213.16515	4.4
215.10698	1.8
215.14449	2.0
215.18060	6.6
217.12311	4.4
219.06485	1.5
221.13486	2.8
223.14912	4.6
225.07988	1.5
225.16472	2.1
227.10686	3.1
227.18224	2.0
229.12363	6.8
231.13795	2.1
235.14891	4.2
237.12946	2.2
237.16451	2.4
243.09094	2.6
243.13887	2.5
247.13484	1.5
249.16391	2.2
251.18002	2.1
253.19554	1.8
255.13951	4.1
257.15463	1.9
258.09171	3.2
259.08429	1.6
267.09155	4.2
267.13837	3.1
269.12378	2.2
273.14795	2.4
276.10468	2.4
276.14923	2.0
277.16772	2.1
277.19543	9.7
281.15533	3.4
283.08600	1.9
285.10004	10.0
291.21091	12.0
293.22653	2.9
295.20956	1.5
301.19672	2.5
308.11505	1.7
309.18738	2.9
309.22232	8.2
311.13025	3.2
314.11908	8.1
319.20447	10.1
327.23312	1.7
329.13834	1.6
337.21606	63.2
355.15750	4.6
355.22672	100.0
356.23166	2.6
364.52823	1.6
373.13593	2.3
373.23984	57.9
373.65823	1.5
373.76804	1.7
374.13837	14.4
374.18460	1.7
374.24194	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	373.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44177	1.0
55.01862	2.1
55.05512	7.5
55.44505	1.1
57.03439	1.9
57.07066	2.6
59.04996	2.0
61.02922	1.2
67.05506	15.2
69.03431	7.3
69.07067	12.5
69.88422	6.6
71.04980	3.1
79.05492	3.9
81.03412	1.8
81.07057	18.6
83.04983	8.5
83.08616	5.0
84.08138	1.2
85.02917	9.7
85.06535	3.7
86.09699	1.2
91.05467	3.1
93.07042	9.9
95.04958	2.7
95.08607	31.4
96.44108	1.0
97.02908	2.7
97.06538	3.2
97.10171	3.4
99.08073	3.0
105.07031	6.5
107.08595	20.5
109.02860	2.2
109.06512	7.2
109.10155	93.1
110.10483	1.2
111.08092	5.6
113.09629	2.4
117.22243	1.1
119.04987	1.1
119.08584	36.2
121.06500	1.1
121.10155	10.9
123.08081	13.2
123.11720	7.0
125.09610	2.5
127.03899	1.7
127.11253	1.3
129.06964	1.3
131.04933	2.4
133.10123	20.9
135.11688	100.0
137.05998	7.6
137.09618	14.1
139.11160	3.7
145.04951	1.7
145.10156	1.4
146.75496	1.1
147.11688	2.6
149.13298	6.5
151.03867	4.2
151.11203	8.6
151.14812	10.1
153.12756	3.3
158.44447	1.1
163.07571	3.2
165.16377	3.6
167.07079	1.3
175.14824	40.0
177.05396	1.4
193.15880	60.3
194.16142	1.2
200.13956	1.2
211.16928	66.5
214.55956	1.1
216.75606	1.2
269.70267	1.1
319.22824	1.4
364.71783	4.9
373.14282	2.9
373.21646	1.6
386.68381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
52.67373	1.4
55.05516	8.8
57.03425	2.3
59.04989	1.6
61.02914	3.9
67.05506	15.9
69.03431	9.4
69.07068	13.7
70.85760	1.6
70.86099	3.6
71.04990	3.9
79.05492	3.6
81.03415	3.1
81.07066	18.1
83.04981	8.3
83.08616	6.5
85.02921	9.5
85.06545	3.2
91.05497	4.3
91.15166	1.4
93.07044	10.0
95.04949	2.9
95.08606	29.5
97.02898	3.2
97.06493	1.8
97.10162	2.2
97.17083	1.9
99.08092	2.8
105.07053	5.8
107.08600	22.2
109.02918	2.2
109.06521	8.2
109.10156	100.0
111.08093	4.9
113.09667	1.8
119.08588	33.8
121.10155	10.0
123.08067	11.5
123.11719	8.6
125.09635	2.7
127.54461	1.6
131.04974	2.1
133.10130	24.1
135.11690	99.1
136.12009	2.0
137.05992	4.7
137.09627	16.2
139.11180	2.1
147.11743	2.4
149.13269	5.7
151.03874	2.9
151.11159	8.4
151.14787	11.9
153.12733	3.0
163.07483	1.9
165.16391	3.1
175.14824	42.4
185.87718	1.4
189.09015	1.7
193.15886	68.6
211.16931	67.0
263.63211	1.5
283.54785	1.5
373.21771	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	373.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45021	0.2
55.01865	0.4
55.05497	0.4
56.96563	1.0
57.03435	0.5
57.07047	0.3
61.02921	0.5
65.03925	0.6
66.20038	0.2
66.45264	0.2
67.05502	1.6
69.03424	0.6
69.07064	1.4
69.08186	0.2
69.17553	0.2
69.34245	0.5
69.34658	1.8
70.46611	0.2
71.04980	0.2
73.02908	0.2
78.04701	0.2
79.05485	1.9
80.06271	0.6
81.03399	0.7
81.07070	1.2
83.04978	0.4
85.02897	0.8
90.04697	0.3
91.05480	4.6
93.07053	1.6
94.04137	0.3
95.04950	0.9
95.08578	0.7
97.02884	0.5
97.06532	0.9
98.21478	0.4
98.97568	0.8
103.05486	1.0
105.03400	0.5
105.06423	0.3
105.07040	1.5
106.04167	0.5
107.04955	7.0
107.08569	0.6
108.05745	2.5
109.02868	0.5
109.06527	0.9
109.10138	0.9
111.04466	0.3
115.05451	0.4
116.98596	0.5
117.07023	1.3
118.04156	0.4
119.04982	0.3
119.08588	0.5
120.84713	0.2
121.06506	2.3
121.10122	0.6
122.03632	0.3
122.06026	0.3
123.04421	0.3
123.08099	0.5
123.11690	0.3
127.03905	0.3
128.06215	0.3
128.98608	0.2
129.06978	0.4
131.00209	0.6
131.04924	2.6
131.08592	0.3
133.06503	1.2
133.10181	0.2
135.04395	2.4
135.08061	1.2
136.05199	6.1
137.05981	5.9
138.06587	0.3
139.07552	0.3
143.08585	0.3
145.02849	0.3
145.06479	2.1
146.07289	1.7
147.03143	0.2
147.04375	0.7
147.08054	4.2
147.11667	0.3
149.01224	0.7
149.06000	0.5
149.09605	0.5
150.06779	1.8
151.07541	100.0
152.07864	2.5
153.09132	0.3
156.03613	0.4
157.06503	0.4
158.07277	0.4
158.99664	0.4
159.08038	0.5
159.54262	0.2
160.08824	1.2
161.02390	0.4
161.05948	0.7
161.09599	0.9
162.06743	0.9
163.03949	0.4
163.07541	4.5
164.08220	0.6
165.09114	7.2
167.02232	0.4
167.07065	0.9
171.08112	0.3
172.08777	0.3
173.06062	0.5
173.11678	0.3
174.06709	0.4
175.07516	0.9
176.08318	1.1
177.00673	0.5
177.05554	0.3
177.09105	8.4
177.10664	0.4
178.09567	0.3
179.10706	1.1
185.09662	0.3
186.10365	0.4
187.07571	0.3
188.08315	0.9
189.00731	0.3
189.09097	2.1
191.10674	3.4
193.12292	0.3
197.10175	0.2
201.09114	0.3
202.09984	0.4
203.02229	0.3
203.10686	2.7
205.12187	0.3
217.12227	2.3
218.45654	0.2
237.08826	0.3
247.08597	0.3
250.90289	0.2
267.13843	0.3
283.08722	0.3
284.12811	1.1
285.10101	0.6
293.13290	3.0
301.09528	0.3
309.14792	0.4
311.12894	0.3
323.16446	0.5
324.17053	0.6
330.05905	0.6
340.16693	14.2
341.16974	1.0
349.16675	0.3
353.17664	0.2
355.15289	0.5
355.19061	4.4
356.19318	0.4
365.15414	0.8
373.19278	0.3
373.23984	0.4
374.15826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24108	0.4
53.03929	0.4
55.05500	1.0
56.61259	0.4
56.96556	0.9
65.03925	0.5
67.05502	0.8
69.03428	1.4
69.07050	0.5
69.46072	3.7
70.06582	1.9
71.01343	0.4
71.04975	0.5
72.08144	0.9
73.99200	0.4
76.72258	0.4
79.05492	0.5
81.03413	1.0
81.07035	0.7
82.06561	0.6
83.05008	0.5
84.08134	1.2
85.02905	3.1
86.09715	4.6
88.38983	0.4
91.05427	0.5
93.07034	0.5
95.04990	0.5
95.08540	0.5
97.02892	1.8
98.97581	0.9
105.07024	0.5
107.04922	0.4
107.08589	1.1
109.02880	1.2
109.10207	0.4
116.07087	1.1
116.98602	0.6
117.03373	0.8
119.04949	0.8
127.03912	1.7
129.10236	0.8
134.99631	0.4
135.04376	0.7
135.11711	0.4
136.03906	0.4
137.05992	1.9
145.02853	1.9
147.04417	1.3
149.06012	0.7
151.03902	1.1
152.07135	0.6
163.03978	0.7
164.07066	0.5
166.08571	0.7
167.07021	0.5
177.05484	4.6
180.37450	0.4
181.04994	4.0
193.12006	2.1
195.06551	1.8
195.13568	13.2
196.14027	0.5
201.03711	16.1
201.05560	1.0
203.05296	6.1
237.02780	0.4
253.12923	0.8
373.18369	100.0
374.18817	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	373.1646
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
51.02382	0.5
53.03938	0.7
53.54643	0.4
55.01856	1.5
55.05503	0.7
56.96564	3.5
65.03929	0.8
67.05495	1.1
69.03421	2.4
69.78046	2.2
70.06574	1.0
71.04990	0.6
72.08141	2.7
79.05499	2.5
79.24931	0.3
81.03401	1.6
81.07043	1.0
83.04971	1.7
84.08144	0.7
85.02905	4.7
85.06551	0.9
86.09699	4.2
87.04486	0.5
89.03917	4.3
91.05423	2.3
93.07018	0.8
94.04173	1.7
95.04971	1.5
95.08608	0.7
97.02888	1.2
97.06531	0.6
98.97585	0.9
99.04452	1.6
103.03958	0.9
103.05457	1.8
105.03377	0.7
105.07029	2.0
107.04953	2.2
107.08576	0.5
109.02867	2.2
109.06512	1.4
111.04448	3.5
115.05484	0.9
116.98598	0.6
117.03356	4.2
117.07015	1.5
119.04913	1.3
119.08572	0.9
121.06545	0.9
122.03634	5.8
123.08074	0.7
125.05981	1.9
127.03930	3.3
129.06929	0.5
129.10214	0.7
131.04913	3.7
131.08534	0.5
133.02855	0.9
133.06461	2.3
134.03746	0.4
134.19379	0.4
134.99652	0.4
135.04411	9.0
135.08052	0.8
136.30151	0.4
137.05971	100.0
138.06325	1.9
138.09227	0.5
143.00127	1.4
143.04941	0.5
145.02837	6.8
145.04961	1.2
145.06447	1.1
147.04407	1.8
147.08052	1.4
151.03888	1.6
151.07535	2.5
153.05460	6.4
153.06865	0.7
153.07066	0.6
157.06487	0.5
157.13382	0.5
159.11707	0.4
161.01198	2.0
161.05965	3.7
162.06693	0.7
163.03900	33.6
163.07529	8.4
165.05547	0.5
165.07065	0.8
165.09123	1.5
167.07094	0.9
169.06485	0.7
175.07550	3.4
177.00774	0.5
177.04109	0.6
177.05482	7.1
177.09105	0.9
179.07030	2.3
179.08443	0.6
181.04924	1.0
181.06531	1.4
183.08063	0.8
185.01321	0.4
185.12949	0.8
187.06128	0.5
187.07576	2.5
189.00769	1.0
189.06953	0.4
189.09122	1.1
191.08601	0.5
193.08583	5.9
193.10075	0.6
195.06525	2.5
195.08093	0.8
199.07521	0.5
201.09100	1.7
203.02342	0.5
203.06900	0.5
205.08545	0.6
207.01718	0.5
207.08128	0.5
207.10168	1.6
211.07587	1.2
211.09499	0.5
213.09113	1.6
215.10602	1.6
217.10252	0.6
219.08054	1.2
223.07524	0.4
225.08986	0.9
226.06104	0.5
227.10727	0.7
231.01796	0.5
235.11163	0.8
237.00722	2.4
237.09151	1.3
239.10680	1.3
241.08583	1.0
245.09660	1.5
249.09077	0.7
251.10625	1.2
253.08534	1.1
253.12225	1.2
255.01743	2.5
262.09854	0.6
263.10632	1.4
267.03882	0.6
267.10437	0.4
267.13849	0.8
269.08301	0.5
269.11813	0.5
271.09384	0.5
273.02740	2.4
273.08926	0.6
277.09180	0.4
277.12241	2.2
279.10324	0.8
280.11111	0.6
281.11740	0.8
283.09747	0.8
290.09183	0.5
291.09976	0.8
295.13318	3.0
297.11328	0.9
305.11783	1.9
309.11658	0.4
309.14828	0.9
323.04312	0.4
323.12885	3.6
327.15976	1.0
337.14334	2.5
341.13821	1.0
355.15311	4.5
373.16544	10.3
374.11713	0.4
374.17166	0.4
393.04770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1646
Annotation	Arctigenin
Peak:m/z	Relative Intensity
55.74582	0.4
56.96556	1.1
65.03942	0.4
66.04726	0.4
67.05486	0.9
69.94750	0.7
69.95152	2.3
79.05484	1.9
81.07052	0.5
82.84998	0.4
86.06686	0.4
91.05460	2.1
91.14167	0.4
93.07010	0.5
94.04176	1.7
95.04996	0.8
95.08609	0.6
102.76098	0.4
103.05473	2.8
105.07040	1.3
107.04951	6.3
107.08582	0.9
109.10130	0.5
115.05452	1.1
117.07023	5.1
119.04926	2.8
121.06532	0.8
122.03663	6.0
123.04585	0.4
131.04936	4.7
133.10220	0.5
135.04424	0.5
137.05977	100.0
138.06340	1.4
145.06490	8.1
147.04414	7.2
149.06058	0.6
151.07542	1.1
157.06490	0.6
157.74628	0.4
161.05992	0.8
162.06769	1.6
163.07556	14.6
167.07062	6.0
175.07585	1.5
177.09103	16.9
179.07056	6.2
187.07594	0.5
189.09134	0.8
191.07072	0.7
193.08675	0.8
203.10738	0.4
205.08774	0.5
207.10150	0.4
219.10185	1.6
231.10098	0.5
237.11285	1.5
244.09210	0.4
327.67279	0.5
332.16098	1.6
337.14267	1.1
350.17258	4.4
355.15445	1.6
368.18161	0.6
373.18878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1645
Annotation	Arctigenin
Peak:m/z	Relative Intensity
53.03949	0.6
55.05499	0.7
56.96576	0.9
67.05496	1.8
69.07054	0.8
70.01357	1.2
70.01777	2.8
79.05492	1.4
81.03428	0.8
81.07047	1.6
83.04984	0.7
91.05474	2.4
93.07047	0.9
94.04173	1.6
95.04945	0.9
95.08617	0.8
97.02872	0.8
97.06529	1.0
102.26448	0.6
103.05451	2.2
105.07063	0.7
107.04948	7.5
109.10150	1.0
115.05453	0.7
117.07013	5.3
119.04923	3.1
122.03642	5.7
131.04915	5.2
135.04434	1.0
137.05977	100.0
138.06311	1.2
145.06471	7.8
147.04396	6.7
149.01273	0.8
149.05959	0.7
151.03874	0.8
151.07541	1.0
161.05972	1.0
162.06790	0.7
163.07547	13.2
167.07053	6.2
171.78902	0.7
175.07579	1.7
177.05438	1.1
177.09111	13.7
179.07043	6.3
189.09071	1.0
213.09023	0.8
219.10214	1.8
229.14597	0.7
237.11229	1.2
292.12427	1.5
314.16809	1.4
332.17871	2.5
337.14459	1.2
350.18997	0.8
355.15317	1.3
355.19208	1.1
373.19489	1.7
375.85754	0.7
376.01315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25860	0.3
53.03954	0.7
55.01870	0.7
55.05497	0.5
55.31585	0.3
56.96562	0.6
59.45695	0.3
62.09392	0.3
67.05506	0.5
68.10979	0.3
70.18970	1.4
77.03934	0.3
78.04713	1.4
79.05498	2.3
81.03455	0.3
81.07066	1.1
89.03957	0.3
90.41826	0.3
91.05489	1.7
93.07063	0.8
95.04966	1.8
95.08593	0.5
103.05476	1.9
105.07037	1.6
106.04169	1.1
107.04961	100.0
108.05312	1.2
109.06512	0.7
114.84566	0.3
115.05466	1.0
117.07041	0.8
118.04185	0.9
119.04944	0.9
119.08608	0.5
120.14451	0.3
121.06509	3.6
121.10110	0.3
122.03661	0.4
123.04432	4.4
124.05235	1.5
125.08755	0.3
130.04164	0.7
131.04932	1.6
133.02844	0.5
133.06493	4.9
135.04430	0.4
135.11681	0.3
137.05983	6.9
138.06453	0.3
145.06459	1.4
147.04419	1.4
147.08058	1.4
148.05220	0.7
149.05988	2.0
151.03934	0.9
152.04723	1.5
157.06479	0.4
161.05994	0.9
163.07526	1.1
165.05460	0.7
166.06268	1.0
167.07048	99.4
168.07426	1.5
168.44688	0.3
172.48376	0.3
173.06012	1.2
175.03880	0.7
175.07535	1.7
176.04730	2.1
177.05496	0.9
177.09129	0.9
179.07037	1.3
181.04993	0.3
181.08627	1.3
182.79945	0.3
183.13950	0.3
191.07045	11.2
192.07919	0.4
193.08627	9.2
194.05704	0.5
194.08951	0.3
195.09871	0.3
197.08009	0.7
205.08569	0.8
207.06555	5.0
207.10172	9.0
209.06259	0.5
209.08098	4.6
223.09680	0.4
225.07585	2.9
235.09613	0.8
249.11272	3.0
256.05463	0.3
267.12201	1.4
275.22794	0.3
305.11966	0.3
327.12100	0.3
350.17096	0.6
355.15161	1.5
356.41153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05302	0.7
55.05512	7.7
57.06826	0.9
57.07079	10.8
59.06124	1.1
60.04526	19.7
67.05504	6.4
69.07069	10.6
70.06585	3.4
71.08633	6.0
71.24895	1.7
72.08137	0.7
75.00033	0.8
78.01120	3.9
79.05484	1.5
80.48826	0.8
80.53724	0.7
81.07056	12.0
83.08620	6.8
84.08133	1.9
85.07625	0.8
85.10172	2.3
89.01583	1.3
95.08599	7.6
97.10165	3.3
109.10148	4.5
110.07149	0.8
111.11715	2.0
112.08752	0.8
120.69836	0.6
123.11693	1.4
199.80173	0.7
268.30038	6.1
294.31613	2.1
327.05032	0.8
330.29251	16.1
372.30283	100.0
373.30518	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	373.1644
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
51.34264	0.7
55.01870	1.2
55.05497	1.3
56.96558	1.4
57.03434	1.8
61.02922	1.0
61.13406	0.7
64.74302	0.7
67.05492	3.2
68.92176	0.8
69.03413	1.7
69.07047	2.2
71.04993	1.1
79.05484	3.1
79.15262	0.6
81.03397	2.3
81.07056	4.1
83.04967	0.7
83.08604	1.2
84.96000	0.8
85.02892	2.2
85.06532	1.2
88.08497	0.8
89.03908	6.3
91.03948	1.2
91.05496	2.8
93.07048	3.4
94.04212	0.8
95.04952	2.0
95.08624	2.1
97.02886	1.4
97.06524	2.8
98.20706	1.7
98.97556	1.0
103.04789	1.0
103.05471	15.8
105.07009	2.6
107.04947	4.6
107.08605	1.5
109.02901	1.3
109.06492	1.1
109.10151	2.5
115.05450	2.6
116.98607	1.3
117.03378	23.2
117.07017	3.0
119.04944	1.9
119.08588	1.9
121.06533	0.8
121.10179	0.7
122.03642	2.7
122.05998	1.3
127.03857	1.4
128.98563	0.9
131.04929	45.7
131.08510	0.9
134.03619	1.7
135.04428	2.2
135.11655	1.1
137.05977	55.3
138.06339	1.1
139.03827	0.8
143.04938	3.6
145.02844	56.1
145.06519	4.0
146.03174	1.4
147.04456	0.9
147.08064	1.2
149.01294	0.9
149.05992	10.6
151.03885	1.6
151.07547	4.6
157.06473	1.1
161.05923	1.6
163.03909	1.9
163.07545	27.1
167.07108	1.0
175.07567	5.1
177.05470	100.0
177.08859	4.6
178.05823	2.8
179.07050	2.1
186.05505	2.3
187.07533	1.9
189.09084	1.4
193.08597	7.4
203.10692	3.3
205.08600	7.4
207.06447	1.1
213.05344	1.0
219.10155	4.1
223.09729	1.6
231.10265	4.0
243.08971	0.8
249.14285	0.8
259.09570	1.0
260.09134	0.8
267.08804	1.0
271.13821	1.7
285.10242	1.2
292.12411	2.5
301.09735	0.8
309.11270	0.8
311.12946	1.1
313.10922	1.1
329.13953	1.4
355.15399	13.2
373.16351	4.9
373.21210	4.2
374.15820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15889	0.2
55.05473	0.4
56.96516	7.6
56.96819	0.4
67.05476	0.7
69.07019	0.5
69.99380	1.3
70.06553	0.3
71.04953	0.7
71.95232	0.6
74.97561	0.4
79.05441	0.9
79.28018	0.3
81.06998	0.9
87.04407	0.4
88.07616	0.5
91.05415	0.4
93.07040	0.7
94.65730	0.3
95.04927	0.4
95.08658	1.4
95.09132	0.4
98.97544	0.6
107.08559	0.6
109.10112	0.4
110.97548	0.7
116.98598	0.6
119.08492	0.4
121.10150	0.3
122.10482	0.3
123.07997	0.7
128.98526	1.2
131.08498	0.4
133.10153	0.4
134.99666	0.5
144.41791	0.3
145.10132	0.3
146.99648	3.0
149.01204	0.7
155.03722	0.4
155.10556	0.4
157.01677	0.3
161.01141	0.6
165.00694	0.8
167.02391	0.4
167.03746	0.4
169.01694	0.5
169.05136	0.3
170.01218	0.4
171.03236	1.1
175.02747	0.4
183.03325	0.3
184.07375	0.3
185.04852	2.0
187.02763	0.4
189.04279	1.0
190.96254	0.4
191.10631	0.3
195.06993	0.5
199.06438	3.5
203.05923	4.4
205.07384	0.4
208.06374	0.5
209.06874	0.4
210.01923	0.7
211.06456	0.7
213.08047	0.4
217.07498	7.5
219.03230	0.3
219.06970	0.6
221.06900	0.9
222.08043	0.3
223.02893	1.7
223.08463	0.9
224.03531	0.5
225.04359	0.5
226.05113	0.9
226.07430	0.5
231.07001	0.4
231.08974	0.4
237.04349	3.6
237.07919	0.4
238.05174	0.4
239.09544	0.6
240.09036	0.6
241.03745	0.4
244.39066	0.4
245.10738	0.4
249.08084	0.6
252.06628	0.5
253.11053	0.9
255.05396	1.0
255.09195	0.5
257.10748	0.3
262.08777	0.7
267.09018	1.5
271.12231	0.6
273.18411	0.7
279.08942	0.4
280.09851	2.1
281.10608	0.4
285.10153	1.1
287.19867	0.4
289.14606	0.4
290.10730	0.4
293.10471	0.4
297.10159	0.8
298.10815	1.7
299.11563	0.4
303.11310	0.6
304.43079	0.3
305.21143	0.8
306.42862	0.3
307.15674	1.6
325.16916	0.6
331.15775	16.3
332.16193	0.5
349.16882	100.0
350.17184	3.0
367.17874	4.1
372.18488	25.6
372.34689	1.1
373.18964	1.5
390.19659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.6
55.05452	0.5
56.96489	23.3
56.96803	3.6
67.05436	0.9
69.06989	1.2
69.44762	4.2
69.45182	1.3
71.95176	2.1
72.95985	0.6
73.02847	0.6
74.97593	0.7
78.73678	0.6
79.05406	7.9
81.03352	0.9
81.07005	0.8
84.95976	1.1
85.02808	0.7
91.05437	1.5
95.08563	0.5
102.74384	0.6
107.04829	2.2
107.08543	1.1
109.06469	0.8
110.97531	1.2
123.01110	0.7
128.98531	2.4
131.04922	0.9
137.05978	10.9
138.06223	1.3
145.06378	0.7
146.99670	4.1
147.03268	1.2
147.04344	1.0
149.01134	0.8
155.03722	1.3
157.10025	0.7
161.01099	1.1
163.07446	2.5
165.00623	1.5
167.06956	1.9
169.01643	0.9
171.03232	0.9
173.04817	1.4
175.02661	1.0
177.05547	0.6
177.09055	2.1
185.04805	0.7
187.02679	0.9
189.04286	1.6
191.05815	0.8
195.06790	1.6
199.06361	2.1
203.05835	1.5
211.06253	0.7
213.07892	1.1
215.09605	0.7
217.07513	3.7
219.09018	0.8
223.06326	0.8
225.04379	0.7
225.08028	1.2
229.07260	0.8
231.08978	1.2
235.06290	0.8
237.07794	1.2
239.09294	0.9
241.07452	0.8
243.09103	4.7
247.08308	0.9
251.09357	0.7
255.09099	1.6
257.10455	0.9
259.10071	1.0
261.10086	3.9
265.11139	1.1
269.10571	1.9
273.10071	0.8
277.11130	10.6
283.12146	1.4
291.12634	1.4
292.12543	3.1
293.14255	0.9
295.12146	3.8
300.12592	2.1
301.09323	0.7
313.14468	1.0
319.11807	0.7
331.15802	45.7
332.15955	1.6
347.15350	1.0
349.16873	100.0
350.17233	3.1
354.17291	1.2
364.14630	0.7
367.17847	4.5
372.18481	29.7
373.18881	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79520	0.4
56.96500	24.1
56.96814	2.9
64.57280	0.5
67.05474	0.4
68.37565	0.4
71.95192	2.1
72.33630	0.5
72.95978	0.8
74.97558	1.0
79.05418	6.4
79.05911	1.0
82.49556	0.4
84.96007	0.9
90.30504	0.4
91.05432	0.6
93.06988	0.5
95.04908	0.5
97.99112	0.5
98.97530	0.7
103.00673	0.5
103.90019	0.5
105.00137	0.4
107.04886	0.6
107.08517	1.6
109.10080	0.6
110.97520	1.2
115.00686	0.4
115.97762	0.6
121.01685	0.5
122.03594	0.5
123.01170	0.7
123.98645	0.5
128.98628	2.8
133.01720	0.6
134.99591	0.8
137.02690	0.8
137.05989	8.4
141.02136	0.9
146.99651	4.1
147.03221	1.2
147.04305	0.8
151.00603	0.4
152.00085	0.5
155.03703	1.3
159.03304	0.8
161.01149	1.2
161.04782	0.5
163.07472	1.6
165.00642	1.1
165.04321	0.6
167.03659	0.6
167.06963	1.0
169.01654	1.9
169.05222	0.6
170.02521	0.5
171.03206	1.8
173.04802	1.9
175.02762	0.5
177.09108	1.1
179.02254	0.8
183.03252	0.7
183.06863	0.6
185.04713	0.9
187.02821	2.1
187.06331	0.7
189.04288	1.8
191.05830	2.0
193.03639	0.6
195.03279	0.6
195.06885	0.7
197.04758	0.8
199.02768	0.6
199.06367	2.7
201.04323	0.8
201.07973	0.6
203.05878	2.3
208.06299	0.4
211.06422	1.1
215.09547	0.6
217.07422	3.1
219.08984	0.8
223.02780	0.5
223.06412	0.6
225.04323	0.7
225.07962	1.4
227.05821	0.8
227.09390	0.5
229.07321	0.9
231.08897	0.8
235.06433	0.7
239.09534	1.3
241.07487	0.5
243.09105	4.9
247.10066	0.6
251.09529	1.4
255.08992	1.3
257.10583	0.7
259.10034	1.2
261.10083	3.8
265.10999	1.1
266.10547	1.3
269.10529	0.9
273.10068	1.0
277.07974	0.8
277.11111	11.0
279.12555	0.7
291.12686	1.4
292.12469	1.3
293.14169	0.7
295.12137	4.8
297.13712	0.5
300.12747	1.5
307.16028	0.6
313.14700	0.8
318.13672	0.5
319.12222	0.7
331.15799	47.5
332.16168	1.1
347.15314	0.8
349.16879	100.0
350.17404	2.4
354.17471	0.7
363.18350	0.5
367.17902	4.5
372.18491	24.3
373.18826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04858	0.6
53.95683	0.5
54.77539	0.5
55.01865	1.0
55.05506	0.8
55.91854	0.5
56.96571	0.8
57.03430	0.8
57.07074	1.3
63.53752	0.5
65.03609	0.6
65.03941	8.9
67.05486	0.7
69.03436	5.4
69.22771	0.5
70.06585	1.5
70.69084	0.9
70.69463	1.1
70.91815	0.5
72.08147	1.1
74.28400	0.5
79.05515	0.8
81.07030	0.7
83.04980	1.0
84.04496	1.2
84.08150	0.7
85.02907	5.4
86.06068	2.4
86.09716	4.2
87.54327	0.5
93.03394	5.2
95.01344	9.8
95.04971	0.6
97.02898	14.4
98.97580	1.2
100.09826	0.7
105.06962	1.0
107.04940	1.4
109.02886	1.2
109.06464	0.7
110.03656	2.5
111.04450	29.1
112.04790	0.6
113.02377	11.3
116.98611	1.0
119.04906	1.1
120.08076	0.8
121.10167	0.8
122.06033	0.9
123.00789	12.5
123.04456	0.8
125.02350	2.4
125.06000	23.7
126.06360	0.8
127.03901	1.2
131.08543	0.6
133.10162	1.0
134.99669	0.9
137.05937	0.9
141.01845	9.2
143.03412	8.6
145.04906	0.7
147.04424	2.3
147.06583	1.1
151.03928	13.6
152.07045	1.1
159.03008	0.6
162.05428	0.8
163.07590	1.0
167.07072	0.7
168.78966	0.6
169.01337	11.1
169.04971	100.0
170.05328	1.7
177.00725	1.0
180.06624	1.2
187.02435	4.3
187.06017	0.6
191.02138	0.6
210.07677	1.3
219.02026	0.7
305.09146	0.7
373.08221	0.6
373.18365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.1
55.05505	23.7
56.58764	5.0
57.03428	7.7
57.85735	5.8
58.82675	5.1
61.82198	5.2
63.09090	5.2
65.08704	5.4
67.05515	45.4
68.36533	5.9
69.07050	18.7
70.75876	18.2
71.08601	6.7
73.02888	7.9
79.05502	38.2
81.07063	56.9
83.04974	22.3
83.08620	14.0
85.02905	7.3
86.62012	5.1
91.05466	37.2
93.07040	100.0
95.04959	15.3
95.08618	73.0
97.06532	22.1
101.06069	5.9
103.05452	6.0
105.07021	58.9
107.08590	56.8
109.10156	41.4
111.08128	6.8
111.74347	5.8
117.07001	16.1
119.08591	80.0
121.06490	5.5
121.10130	48.0
121.17019	6.1
123.08080	11.2
123.11746	12.1
129.05473	8.4
129.06993	9.9
131.08569	39.0
133.10152	50.4
135.08014	10.4
135.11681	25.1
137.05984	12.0
137.09590	8.5
139.07532	64.9
142.07776	11.4
143.08560	26.1
144.09319	9.0
145.10129	58.6
147.06584	5.9
147.11678	20.9
149.09648	8.8
156.09299	10.0
157.10118	35.6
158.10884	8.0
159.11685	29.9
161.13268	14.2
169.10112	13.6
171.11670	16.9
173.13286	16.4
175.14818	21.5
181.66399	6.0
182.11006	6.2
183.11642	14.3
185.13223	12.3
187.14807	20.5
189.16431	9.6
195.11716	6.6
197.13272	10.5
199.14856	8.5
202.83096	5.9
209.13248	9.4
211.14801	7.1
213.12785	9.5
213.16464	6.8
225.16516	7.0
253.19391	7.3
261.22131	14.2
268.26157	7.2
296.09256	5.8
296.31866	6.0
350.17661	8.5
353.24652	10.8
371.25772	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03943	1.2
55.01876	0.5
55.05510	5.6
57.03445	0.8
57.07072	0.4
61.02921	0.6
65.03946	0.3
67.05490	0.8
67.52113	0.3
69.03426	2.7
69.07059	0.6
69.54417	2.1
70.06592	0.5
71.04987	1.7
71.08624	0.6
73.04758	0.4
73.06535	0.4
78.93594	0.3
79.05495	2.1
81.03407	3.9
81.07063	6.5
82.06571	1.2
82.07363	0.4
83.04970	2.0
83.08613	3.3
84.04504	0.4
85.02907	5.7
85.06561	1.9
86.06850	0.3
91.03949	0.4
91.05485	1.1
93.07047	2.9
95.04967	0.5
95.08597	1.7
96.63226	0.3
97.02894	2.2
97.06551	0.9
98.09695	0.8
98.20771	0.6
98.97624	0.3
99.04472	1.1
99.05714	0.3
99.08138	0.5
100.07623	0.7
100.09406	0.3
100.11262	14.9
101.05969	0.5
101.11579	0.6
103.05470	0.7
105.07027	1.9
107.04971	0.7
107.08592	1.0
109.02882	2.2
109.06506	3.8
109.10146	0.5
110.06042	0.9
110.06855	0.3
111.04449	2.5
111.05167	0.4
111.08057	0.4
112.07624	0.4
115.07616	0.3
117.13858	0.6
119.08584	0.9
121.06502	0.7
121.10146	3.2
125.09655	0.4
126.12749	0.5
127.03916	2.3
127.07561	0.5
128.07074	0.9
129.05476	0.6
131.04906	0.5
131.08528	0.8
133.10120	2.3
135.08043	0.8
137.05963	1.9
137.09616	1.9
139.73869	0.4
141.09119	3.9
141.11507	1.1
144.13829	1.0
145.04977	0.7
145.08615	1.0
145.10135	0.4
147.04465	0.6
147.06526	0.6
147.11676	0.5
149.09622	100.0
150.09949	3.4
151.03885	0.6
151.11160	0.4
153.05388	0.5
155.07007	2.2
159.10115	0.5
161.06026	0.4
163.07553	0.9
163.11253	0.5
163.14735	0.3
163.64397	0.5
167.07076	0.6
173.13249	1.2
175.07532	0.4
177.05478	1.2
177.12465	0.4
182.15401	4.8
187.07756	0.4
187.09679	1.3
189.09200	0.4
191.10623	0.3
191.14311	8.8
199.18065	0.6
205.04959	0.5
209.15314	19.3
210.14842	4.2
213.03914	0.4
213.17809	1.0
213.68044	0.4
219.78073	0.3
227.17473	2.2
228.16110	0.5
236.09135	0.7
239.12671	0.4
276.72824	5.2
277.22940	1.1
285.00970	0.4
285.24231	0.5
291.63739	0.4
298.73999	0.7
309.14944	0.4
318.26544	0.5
326.27948	0.5
329.32001	0.4
331.25336	0.4
340.25949	2.0
340.75931	0.5
343.30753	2.2
353.26825	1.4
353.76749	0.6
354.17038	0.9
362.27261	8.8
362.77417	2.8
371.16055	0.6
371.19904	1.4
372.14386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03942	2.4
55.01867	2.9
55.05513	9.6
56.96550	1.4
57.03433	3.4
57.07078	1.6
59.05000	1.5
61.02934	2.5
65.03946	1.6
67.05495	6.9
69.03433	6.8
69.07071	4.2
70.06584	1.9
71.04994	6.2
71.58378	1.6
72.20855	1.1
73.02911	1.2
79.05495	4.0
81.03416	4.3
81.07063	6.8
82.06606	1.8
83.04978	6.5
83.08598	6.6
85.02909	12.5
85.06542	3.2
91.05444	3.1
93.07038	6.9
94.04202	1.2
95.04970	100.0
95.08611	8.0
96.05319	2.1
97.02901	7.1
97.06545	3.6
99.04465	27.1
99.08093	3.2
100.11260	17.3
103.05457	1.5
105.07036	4.9
107.04950	3.3
107.08596	13.1
109.02889	2.7
109.06521	3.1
109.10163	5.6
110.06082	1.4
111.04434	5.2
111.08078	2.3
117.07030	1.3
119.08580	3.8
121.06487	2.4
121.10144	12.4
123.04433	2.5
123.11673	1.9
125.09634	4.5
127.03925	4.4
128.07071	2.5
129.05522	1.7
129.06975	1.5
131.04936	2.6
131.08574	2.3
133.10135	8.9
135.08025	5.7
135.11676	3.4
137.05983	14.5
137.09618	3.4
139.11191	3.6
141.11493	5.2
141.61717	1.3
143.08522	1.8
143.11798	5.4
145.04944	2.3
145.10178	2.6
147.04439	1.3
147.06538	2.0
147.11670	4.0
149.09647	3.3
149.13283	4.3
151.03932	4.3
151.11179	22.3
153.05458	1.4
153.09116	37.3
157.06432	1.6
157.10091	2.1
161.09572	1.3
163.07562	4.8
163.14853	5.5
165.05524	1.2
165.12740	3.1
167.07039	4.5
167.10684	1.8
173.13249	6.9
182.15419	6.1
185.09526	1.6
187.07486	1.3
191.14317	26.2
193.08641	2.7
193.15877	1.4
199.18030	2.8
209.15340	58.2
210.14813	8.1
217.12276	5.3
225.15968	6.9
227.12714	3.2
227.17610	2.1
253.15503	3.7
276.72824	2.2
289.71609	6.0
290.21927	3.7
326.28253	1.6
335.22247	2.0
353.24835	5.3
353.75183	1.8
362.25406	1.7
369.28406	2.0
371.15042	1.9
371.19592	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01833	2.1
55.05510	3.7
55.39294	0.7
56.96525	1.0
57.03394	1.8
57.07028	2.3
61.02895	0.9
62.48785	0.6
67.05509	4.2
69.03429	14.3
69.07065	3.9
70.06557	1.5
70.24618	3.1
71.04943	2.0
71.08602	0.9
73.02872	1.0
76.21577	0.6
79.05499	3.7
81.03371	2.8
81.07055	8.1
83.04993	10.5
83.08578	2.6
84.04461	1.0
85.02899	9.1
85.06498	2.3
86.09677	1.7
91.05386	1.5
91.05853	1.1
91.89140	0.7
93.07047	5.7
95.04913	2.3
95.08589	7.9
97.02900	3.6
97.06503	2.0
99.04410	1.6
99.08082	0.9
105.06999	5.3
107.04911	2.7
107.08588	14.9
109.02859	1.3
109.06519	6.6
109.10144	5.7
111.08081	8.9
117.06953	2.3
119.01859	0.8
119.08584	5.4
121.02832	0.8
121.06469	2.5
121.10141	10.2
123.08030	3.1
123.11663	2.9
125.05994	0.8
125.08773	1.1
125.09632	20.4
125.13097	0.7
127.03892	4.5
129.05455	1.1
129.06998	0.8
131.04875	2.9
131.08585	6.0
133.06490	1.3
133.10139	8.7
135.07117	1.0
135.08060	17.7
135.11685	5.7
136.08611	0.8
137.05997	6.2
137.09581	1.9
137.87471	0.8
143.08463	1.1
145.04935	1.3
145.06450	1.6
145.10060	3.1
147.04405	1.3
147.06508	1.8
147.07971	1.5
147.11664	4.5
147.63354	0.7
149.05980	0.9
149.09627	17.1
149.13220	4.5
150.10326	2.4
151.03894	2.2
151.11142	2.7
153.09120	7.2
158.10876	2.8
161.05962	1.4
161.09634	1.6
163.07585	4.2
163.11176	6.7
163.14810	5.4
164.07063	0.9
165.12740	4.0
167.07005	2.8
167.10686	1.4
171.11601	0.8
173.13264	19.4
176.11960	3.0
181.05011	5.0
188.65504	0.7
189.09077	0.7
189.12741	1.0
191.14310	88.3
192.14610	3.6
198.91113	0.7
209.15364	100.0
210.15685	3.8
217.12192	1.8
227.05833	0.7
227.08585	0.8
327.14148	2.7
341.10312	0.9
353.16019	1.0
353.19586	4.2
371.13187	25.9
371.20621	30.4
372.14017	3.1
372.20905	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	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.53758	2.1
53.03934	6.7
53.65999	1.8
55.01863	5.5
55.05513	16.4
57.03426	6.5
57.07069	5.0
59.04998	2.9
60.68962	1.7
61.02932	11.5
64.35601	2.0
65.03928	3.0
67.05507	8.0
69.03427	30.9
69.07058	13.1
70.56562	3.9
71.04988	7.8
73.02905	4.7
79.05475	12.9
81.03401	12.0
81.07052	25.8
83.04980	41.8
83.08614	29.6
85.02900	45.3
85.06526	6.6
87.04451	3.7
91.03976	3.5
91.05482	6.5
93.07037	18.2
95.04965	78.6
95.08598	11.1
96.05291	2.4
97.02893	24.9
97.06535	9.4
97.10176	2.8
99.04455	24.1
100.66429	2.1
103.03930	6.2
105.07027	8.9
107.07883	2.9
107.08595	25.7
109.02191	1.9
109.02864	8.2
109.06509	11.9
109.10157	16.0
110.24466	2.0
111.08074	8.2
113.09646	2.3
115.03899	3.3
117.07018	2.7
119.08604	9.7
121.06526	3.2
121.10165	21.0
123.04408	2.7
123.08057	9.4
123.11697	9.6
125.05985	6.7
125.09650	7.6
125.13230	3.3
127.03922	14.3
127.07583	2.5
128.39742	2.1
131.08604	5.4
133.10135	13.2
135.08047	40.3
135.11681	4.8
137.06001	3.9
137.09625	2.7
139.11176	11.6
145.04951	7.8
145.10162	3.7
145.36687	2.0
147.08032	4.0
147.11676	8.6
149.09633	17.1
149.13272	20.0
151.11186	17.3
153.09103	26.0
163.11177	2.3
163.14810	3.8
165.12749	4.4
167.07030	4.7
167.14322	27.7
169.12277	5.3
173.13249	13.2
175.14835	5.0
177.05356	2.2
181.12239	19.9
185.08076	5.3
191.14293	29.7
198.61980	2.3
209.15366	100.0
210.15791	5.3
227.16377	4.3
233.15395	4.6
250.49272	2.5
257.25510	1.8
335.18573	5.5
353.19684	2.5
371.16626	6.1
371.20630	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
51.74370	0.4
54.60836	0.3
55.05502	0.5
61.75384	0.3
64.41227	0.4
67.05509	0.8
70.50813	0.7
71.04987	0.4
79.05494	1.0
81.07069	0.8
89.03903	3.8
89.04395	0.3
91.05493	1.4
94.04205	1.7
95.04993	0.6
103.05495	0.6
103.25513	0.3
105.07043	0.5
106.04178	0.4
106.18874	0.3
107.04967	0.5
109.06470	0.4
109.10141	0.4
111.04333	0.4
115.05474	0.4
117.03378	13.1
119.05013	0.5
121.06494	0.4
122.03644	5.3
129.05475	0.5
131.04964	0.4
133.06436	0.3
134.03651	1.1
135.04425	2.2
137.05978	65.8
138.06308	2.1
145.02849	39.1
146.03195	1.5
147.04393	1.2
147.06497	0.5
149.05974	5.3
151.07542	1.0
158.05960	0.7
163.03922	0.6
163.07538	0.5
167.07030	0.6
175.56311	0.4
177.05470	100.0
178.05794	3.4
179.06979	1.0
184.07304	0.4
186.05496	3.4
209.00861	0.3
209.15471	0.4
217.12183	0.4
233.11853	0.6
234.12141	1.0
235.09642	0.4
316.07233	0.3
317.30685	0.3
331.15845	0.5
349.16525	0.7
371.14993	1.8
372.10703	0.4
386.62823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05510	2.1
57.03431	5.9
57.07078	51.3
61.02917	2.5
66.07238	1.6
67.62566	1.8
68.56947	1.9
69.03422	3.6
69.07061	2.8
69.61324	4.6
69.61749	9.2
70.06590	5.3
73.02911	3.9
79.05480	2.1
81.03409	3.1
81.05291	1.8
81.07042	3.1
81.89462	1.7
83.04980	1.7
84.08133	2.3
85.02905	17.5
85.06546	73.4
86.09698	4.2
91.05440	4.4
93.07034	3.0
95.01331	6.5
95.04945	3.1
97.02904	4.9
97.06522	2.6
98.97608	2.7
98.98460	2.4
99.00768	2.1
99.04437	3.0
103.03969	1.9
103.05456	2.5
103.07626	3.7
105.01881	2.6
105.07070	3.8
107.04957	2.1
109.02875	2.2
109.06549	1.7
111.04463	2.6
113.02412	3.3
118.03728	1.6
119.04958	5.3
119.08663	1.9
121.10184	1.5
123.04399	2.0
127.03901	4.5
131.03381	2.4
137.05983	17.0
141.01797	18.7
143.84305	1.9
145.02829	2.9
145.04912	2.5
145.10121	2.3
146.03233	4.0
146.99683	1.8
147.04367	11.4
149.09644	2.5
151.03844	2.8
153.05414	1.8
159.02895	3.7
159.10178	100.0
160.10582	1.8
166.05038	1.9
175.07527	2.7
177.05505	10.0
177.11229	80.0
178.05806	11.4
178.11549	2.0
181.04912	1.8
191.14603	1.7
325.68988	1.6
355.06836	3.4
370.11703	2.5
370.16107	2.6
370.23633	1.8
371.11191	1.8
371.16501	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	369.2638
Annotation	Cortol
Peak:m/z	Relative Intensity
53.03922	3.6
55.01890	2.9
55.05519	14.5
57.07070	6.7
59.48258	2.5
67.05508	20.4
69.03427	4.6
69.07061	17.0
69.41665	17.5
69.42072	5.9
71.08617	11.1
79.05491	14.9
81.03406	5.5
81.07058	37.8
83.04951	3.5
83.08638	4.4
85.06549	3.8
86.09672	2.7
91.05479	11.8
93.07063	19.2
95.04955	9.8
95.08617	22.7
97.06501	7.7
97.10149	6.6
99.08081	15.8
105.07054	18.1
107.08588	13.8
109.06492	19.7
109.10159	7.0
117.06974	4.2
119.08590	17.4
121.06490	10.5
121.10126	7.8
123.08066	5.0
129.06917	4.3
131.08569	10.8
133.10101	4.8
135.08066	3.8
135.11700	4.1
137.05991	11.6
139.11182	3.0
145.10143	6.2
147.11684	6.3
149.09650	4.0
149.13292	4.4
151.11101	4.5
155.61679	2.9
157.10144	3.3
161.13223	8.4
163.11171	6.5
165.12755	44.7
165.65010	3.0
173.13239	5.8
175.14899	4.7
177.12762	12.0
179.14400	3.4
181.15880	9.0
184.07440	3.9
191.14275	6.6
207.13864	3.5
208.96542	3.3
229.14346	3.4
261.22241	17.7
271.20490	3.5
277.21570	8.0
279.23114	3.9
289.21616	79.3
307.22641	20.7
320.93826	2.7
333.24268	42.9
351.25314	100.0
352.25888	4.6
369.24075	3.7
369.28476	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01877	4.4
55.05511	9.3
57.03439	3.5
61.02932	1.6
62.28645	1.6
67.05515	6.7
69.03432	27.1
69.07076	5.0
70.06596	7.2
72.08127	1.4
72.74049	1.4
73.02934	1.8
74.52043	1.5
75.92023	1.3
79.05496	11.0
81.03446	8.0
81.07052	7.6
83.04980	11.5
83.08650	1.7
84.08142	2.4
85.02911	29.4
86.09710	3.2
91.05495	11.9
93.07064	6.9
95.04990	7.4
95.08617	5.2
97.02890	11.3
97.06548	3.4
99.04442	3.8
103.05480	3.2
105.07035	15.9
107.04971	2.7
107.08608	15.0
109.02886	6.2
109.06519	6.3
109.10159	3.7
110.07223	1.6
111.04439	2.4
111.08073	2.5
117.03410	3.3
117.07021	1.9
119.04971	3.1
119.08578	16.2
120.08161	1.6
121.06510	15.0
121.10188	7.8
123.00867	1.6
123.08082	10.6
124.07578	1.5
125.09605	3.5
127.03916	10.9
129.07077	2.1
131.08604	7.9
133.06497	100.0
133.10133	12.9
134.06871	1.6
135.04369	2.3
135.08087	10.8
135.11755	2.6
137.05963	2.8
137.09619	6.9
143.08537	4.3
145.02863	6.5
145.04965	6.1
145.10173	7.7
147.04422	6.1
147.08076	5.1
147.11661	9.1
149.09602	16.7
149.13316	1.8
151.07550	4.9
151.11194	15.8
156.09378	1.9
158.10941	3.0
159.08052	4.3
160.08821	2.2
161.09605	8.1
161.13246	6.2
162.05571	1.8
163.11194	23.3
165.09128	3.8
165.12778	2.5
168.60646	1.4
171.11641	3.2
173.13281	5.3
174.10381	8.0
175.04002	2.4
177.05501	15.3
179.10701	3.6
189.12749	56.4
190.13098	2.2
191.14313	62.1
207.06514	3.9
207.13821	81.0
208.14136	2.7
229.14299	1.4
243.13980	2.4
296.09747	1.4
326.11435	1.5
369.05881	2.6
369.15204	28.7
369.19205	3.0
370.15842	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01869	4.1
55.05499	4.6
57.03435	3.3
61.02918	6.2
67.05495	4.2
69.03432	19.5
69.07058	4.3
69.43972	10.3
70.06580	3.2
71.04991	4.0
73.02905	2.3
79.05489	3.1
81.03420	10.4
81.07051	5.6
83.04984	7.3
85.02912	45.3
85.03426	2.5
87.00787	2.0
87.04454	3.3
89.03912	2.5
91.03941	2.4
91.05496	8.7
93.07049	7.3
95.04953	5.6
95.08611	5.0
97.02898	14.6
97.06548	2.5
98.97603	3.2
99.04452	5.3
99.08064	2.1
105.01852	1.6
105.07030	23.7
107.04933	2.3
107.08591	12.9
109.02878	6.7
109.06516	5.0
109.10169	3.1
111.04445	2.8
117.03384	5.5
117.07021	3.2
119.04926	8.7
119.08585	55.1
119.10861	1.3
121.06490	3.2
121.10174	8.1
123.08058	2.8
125.09613	2.4
127.03934	9.3
128.06223	2.5
129.06989	3.3
131.08582	6.3
133.06512	13.0
133.10138	20.8
135.08044	5.2
137.05960	3.3
143.08502	6.7
145.02844	13.9
145.04970	8.8
145.06465	2.0
145.10114	16.8
147.08067	6.3
147.11678	15.7
147.57471	1.6
149.05936	2.7
149.09641	4.6
151.07504	1.8
156.09341	14.4
157.10112	1.9
159.08067	3.6
159.11691	5.1
161.09644	2.9
161.13254	31.0
163.11182	15.3
163.14830	2.9
165.09093	1.9
171.11678	15.7
173.09616	1.8
173.13248	2.0
174.10471	2.1
175.11142	2.3
177.00572	2.1
177.01970	1.6
177.05496	26.9
189.12755	100.0
190.13091	2.4
191.14320	11.6
203.14320	1.7
207.13821	82.3
217.12297	2.8
219.13902	1.5
231.14008	2.3
232.13420	1.6
237.02853	1.9
279.53848	1.3
307.15396	1.6
325.16312	1.6
333.12131	1.9
351.13266	4.5
351.17673	3.3
369.10745	5.1
369.14941	3.0
369.19107	6.6
370.12149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1696
Annotation	Glyasperin H
Peak:m/z	Relative Intensity
55.01859	0.6
55.05511	0.7
57.03414	0.6
67.05489	2.3
69.07066	1.0
70.29879	2.3
78.74249	0.5
79.05489	2.9
81.07061	2.8
85.02885	0.7
85.06556	0.6
91.05486	4.2
93.07043	1.6
94.04209	3.0
95.04967	1.1
95.08611	2.2
97.06531	1.9
99.57005	0.5
100.11279	0.8
103.05467	4.5
105.07028	5.9
107.04952	2.1
107.08585	1.4
107.15446	0.5
109.02837	0.6
109.10147	0.7
111.08090	0.6
115.05445	2.1
117.07008	1.4
119.04925	1.3
119.08579	1.1
121.06469	0.6
121.10165	1.8
122.03650	7.9
123.04413	1.8
124.05186	1.2
129.06989	1.7
131.04924	7.4
131.08580	2.1
133.06511	4.9
135.08075	0.6
137.05981	100.0
138.06322	2.0
139.03911	1.6
141.07008	1.6
143.08501	0.7
144.05757	1.5
145.06487	3.2
145.10095	0.8
147.04414	2.3
149.09639	0.6
151.03908	0.5
151.11166	0.6
153.06973	1.2
154.07788	0.7
155.08571	9.0
157.06479	1.7
157.10130	1.1
159.08069	2.0
161.05981	6.6
163.07550	11.7
165.06989	1.7
167.07050	27.1
167.10713	1.2
174.06725	1.2
175.07588	2.7
177.05508	0.9
177.09113	4.9
181.06468	0.9
183.08044	9.4
184.08759	1.2
187.07544	8.3
188.07852	0.5
189.09132	2.2
190.95503	0.7
193.08624	8.4
200.08377	3.4
201.09152	1.5
201.19679	0.6
203.10484	0.8
205.08635	0.6
208.96445	0.7
213.09157	0.9
215.10690	24.3
216.11067	1.0
219.10197	9.1
228.20132	0.6
232.96408	0.7
233.11784	0.9
250.97556	0.7
263.11862	1.5
309.12149	1.1
322.96069	0.8
337.14316	0.7
351.24713	0.6
369.17297	13.7
369.23273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1698
Annotation	Glyasperin H
Peak:m/z	Relative Intensity
50.97847	0.3
51.02380	0.3
52.85683	0.3
55.01863	0.6
55.81372	0.3
56.96566	0.6
65.03959	0.5
67.05495	1.4
69.03429	0.4
69.07067	0.4
71.58486	0.3
78.04706	0.5
79.05492	3.1
81.07062	1.7
82.53028	0.3
83.08604	0.5
85.02903	0.3
91.05497	2.3
93.07032	0.4
94.04179	2.8
95.04955	0.8
95.08585	0.9
97.06532	0.4
99.08034	0.4
103.05461	6.2
105.07024	5.5
105.07673	0.5
107.04947	4.4
107.08633	0.4
109.06503	0.6
109.10108	0.5
115.05462	2.7
116.06275	0.4
117.07018	4.3
118.04166	0.5
119.04910	0.4
119.08583	0.6
121.06519	0.3
122.03651	8.0
123.04456	0.9
123.07989	0.4
124.05206	0.8
125.05949	0.3
128.06235	0.7
129.06993	1.3
131.04927	11.0
131.08560	0.9
132.05244	0.4
133.06483	5.5
135.08061	0.6
135.11699	0.3
137.05975	100.0
138.06296	3.0
139.07532	0.4
139.52995	0.3
141.06995	1.5
143.04919	0.4
143.06017	0.4
143.08542	0.6
144.05727	2.2
145.06482	6.0
149.05989	0.7
151.03911	0.7
151.07532	0.7
152.04686	0.8
152.06149	0.4
153.05453	0.7
153.06967	1.3
154.07765	0.4
155.08553	8.3
157.06493	1.4
157.10114	0.4
158.07257	0.5
159.08069	1.2
159.11748	0.3
160.05215	0.4
161.05989	6.6
163.07542	8.2
165.07010	2.3
167.07042	23.7
168.07379	0.7
169.06374	0.5
170.07184	0.5
171.08060	0.6
172.05183	1.1
173.05984	0.7
174.06787	1.0
175.07518	1.7
177.05486	0.6
177.09117	10.0
181.06438	0.4
183.08051	11.0
184.08713	1.0
185.09598	0.5
186.06755	0.4
187.07542	11.2
188.07941	0.5
189.09106	3.3
190.95462	0.6
191.07097	1.0
193.08617	22.7
194.08955	0.9
195.10178	0.9
199.07455	0.6
200.08308	2.2
201.09071	1.0
205.08559	1.9
206.48123	0.4
207.13857	0.3
208.96542	0.5
213.09085	1.6
215.10681	19.2
216.11063	0.8
219.10176	6.3
231.10187	2.6
232.96510	0.9
233.11766	1.0
245.11737	1.8
246.06770	0.3
250.97583	0.7
277.08728	0.7
277.12195	1.2
277.21640	0.4
280.94897	0.3
295.09583	0.4
305.11746	1.2
311.32492	0.3
327.12256	0.7
336.29749	0.3
337.14337	1.8
347.15036	0.4
351.25397	0.4
369.16937	18.3
370.17276	1.4
372.44330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
53.03928	1.0
55.01881	0.9
55.05507	1.8
56.96556	1.0
57.03444	1.4
61.02934	1.2
65.94102	0.8
67.05489	1.4
69.03426	8.2
69.07053	2.1
70.06592	1.9
71.04985	1.3
71.05410	2.1
71.05756	1.5
72.08143	0.9
72.54077	0.9
73.02898	1.2
79.05489	1.6
81.03410	2.1
81.07042	2.4
83.04984	1.9
85.02907	12.8
85.06544	1.1
86.09715	2.7
89.03934	9.9
91.03954	1.0
91.05491	2.5
93.07043	2.7
95.04993	1.6
95.08607	1.9
97.02895	4.2
97.06540	1.0
97.10172	0.9
98.97610	1.8
105.01894	1.3
105.07042	3.8
107.05012	1.1
107.08596	2.2
109.02890	3.3
109.06538	1.6
109.42979	1.0
111.04435	1.0
117.03383	22.6
117.07071	1.2
119.04998	1.4
119.08585	8.6
121.06557	1.2
123.04394	1.2
123.08013	1.0
127.03951	4.0
128.06265	1.1
131.08519	1.1
133.06467	1.7
133.10135	3.7
133.86420	0.9
134.03665	1.1
134.99677	1.9
135.04443	2.4
135.11653	1.2
136.06158	1.0
137.06039	2.4
138.59172	0.9
143.08649	1.4
145.02846	49.4
145.10188	2.1
146.03201	1.6
147.04414	1.9
147.08116	1.1
147.11633	2.3
149.06000	9.4
150.40468	1.1
153.05537	1.3
156.09383	1.8
161.13283	3.4
162.05528	1.3
163.03896	1.1
163.11255	1.4
171.11687	2.1
177.05473	100.0
178.05844	2.8
186.05490	1.2
189.12733	11.3
191.14256	2.2
193.31958	1.0
207.13783	9.4
296.09537	1.1
323.10672	1.3
369.10379	1.9
369.14993	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	368.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81745	1.2
55.01867	2.1
56.96562	1.7
57.03437	3.0
61.02925	7.0
61.88029	1.4
69.03415	3.8
70.06590	3.3
71.56968	2.1
72.08181	1.6
73.02931	2.2
81.03426	2.4
83.97159	1.2
85.02892	7.6
85.06519	1.7
86.09705	100.0
87.25000	1.3
95.08451	1.3
97.02916	3.4
99.04413	1.4
101.02335	1.5
103.04123	1.6
109.02819	1.5
117.01846	4.2
119.01890	2.4
119.02674	1.6
125.52719	1.5
126.02568	1.4
127.01449	1.2
127.03969	2.2
132.10204	80.7
139.02477	1.5
145.04930	2.1
147.01247	2.0
147.04419	1.4
177.02463	1.2
177.05560	1.1
179.56203	1.4
188.52486	2.3
189.02477	1.9
189.53172	1.6
190.01324	1.3
190.03067	3.0
196.01274	1.6
197.52888	2.0
198.02858	2.0
199.47375	1.2
219.01614	1.8
219.03578	1.5
240.54761	4.3
254.05902	1.6
322.01263	1.5
324.10449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01859	2.8
55.05510	19.1
56.05039	1.9
57.03421	4.0
57.07061	1.8
58.06603	5.7
59.04998	1.2
60.04525	19.0
67.05502	22.5
68.05035	1.3
68.05834	1.6
69.03415	4.6
69.07066	12.2
70.06587	2.5
71.04990	5.4
71.58772	1.1
71.59178	1.1
72.04488	1.2
78.34927	1.2
79.05496	18.6
80.05824	1.4
81.03397	4.0
81.07054	21.8
82.07388	3.8
83.04991	2.9
83.08615	10.6
84.08147	7.6
85.06525	2.9
86.09210	2.1
86.09707	28.0
88.07615	4.0
91.05484	11.1
91.34086	1.1
93.07050	13.6
94.04173	1.3
94.07375	1.8
94.83271	1.1
95.04971	6.4
95.08614	10.3
96.08112	3.3
96.08921	1.1
97.02920	1.0
97.06520	5.0
97.10172	17.7
100.07590	2.5
103.05425	1.3
105.07043	10.8
106.07336	1.9
107.04950	5.1
107.08598	10.3
108.08162	1.9
108.08902	2.6
109.06509	6.5
109.10139	5.4
111.08100	2.4
112.06926	1.8
112.07623	21.2
113.05994	2.8
115.05418	1.8
117.06995	4.8
119.08580	7.7
120.08910	2.2
121.06522	3.3
121.10140	9.5
122.03648	5.7
122.09666	7.6
122.10430	1.6
123.04437	1.3
123.08041	3.4
123.11677	1.6
124.05226	1.1
125.09663	10.1
126.09157	1.5
128.10715	28.8
129.07022	2.5
130.08662	2.7
131.04921	3.9
131.08583	8.6
133.06438	3.5
133.10078	3.2
134.10484	1.6
135.08034	3.6
135.11691	3.4
137.05980	85.9
137.09579	2.6
138.12755	4.6
141.06970	1.5
144.05721	2.0
145.06470	4.0
145.10117	5.1
147.11670	3.0
149.09540	2.0
149.13234	1.6
153.07028	1.2
154.08682	6.3
154.12268	2.5
155.08568	7.2
156.10202	1.4
157.10146	1.8
159.08060	2.1
159.11696	3.1
161.06003	4.8
161.09625	2.1
163.07527	3.7
167.07059	22.4
169.10176	1.3
171.11748	1.1
172.09700	7.3
175.07562	1.4
177.09064	2.7
180.13852	10.3
183.08055	7.1
185.13411	1.3
187.07591	6.3
187.11176	1.5
189.09668	1.2
189.11215	8.5
193.08583	4.7
194.15491	1.4
195.13756	1.3
200.08444	1.3
203.10657	1.3
207.34958	1.1
215.10683	16.1
217.15863	1.3
217.51755	1.1
219.10127	7.6
221.15308	1.7
223.13330	2.7
233.11783	1.6
240.18369	1.2
246.85980	1.2
272.20099	1.8
273.18353	5.6
276.20389	6.9
290.21152	8.0
291.19455	9.2
292.19962	1.4
308.22177	10.0
311.56396	1.1
319.90796	1.2
332.22150	1.4
350.23352	22.8
358.42355	1.2
359.45947	1.1
368.24341	100.0
369.17249	7.6
369.24756	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71341	13.2
55.05528	29.8
66.80492	13.2
67.05497	47.8
69.07076	26.4
79.05490	44.3
81.07031	64.2
91.05486	58.9
93.07042	67.7
95.04957	34.0
95.08614	63.8
97.06554	19.0
101.35955	11.5
105.07040	82.6
107.08616	56.6
109.06551	13.6
109.10174	38.7
117.07014	18.5
119.08603	100.0
121.06491	12.5
121.10184	59.7
123.08113	14.0
125.89635	13.0
129.07013	22.0
131.08615	60.0
133.10143	49.5
133.11676	13.5
135.08101	18.9
143.08580	32.1
145.10101	58.9
147.08139	15.8
147.11693	22.8
157.10162	51.3
159.11711	47.9
161.09610	42.5
161.13266	17.0
169.10130	16.5
171.11749	21.3
173.13251	33.6
175.14783	20.5
176.81041	11.5
178.12137	13.1
183.11674	13.6
185.13303	19.9
187.14766	21.0
195.11708	18.1
197.13197	22.9
199.14798	12.7
209.13251	27.9
211.14922	15.1
227.14259	21.0
241.19292	11.9
284.54654	13.5
385.10046	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22624	5.6
55.01860	14.0
55.05513	53.1
57.03437	10.7
59.04995	5.4
62.38675	5.1
67.05506	63.0
69.03438	10.0
69.07061	19.8
71.04987	7.7
71.58867	8.8
79.05493	96.0
81.07054	63.1
83.04964	35.5
83.08616	18.5
91.05474	52.8
93.07048	75.7
95.04960	15.9
95.08604	31.4
97.06538	11.3
97.10165	23.4
103.05489	6.8
105.07047	57.9
107.04969	45.2
107.08586	86.7
109.06499	7.0
109.10183	43.5
111.08080	6.9
117.07019	23.6
119.08582	29.5
121.10147	25.0
123.08051	10.1
123.11717	11.0
125.09642	27.1
131.04939	8.2
131.08559	21.6
133.10092	27.8
135.08047	16.5
135.11725	11.3
137.05997	12.3
145.10126	21.9
147.11693	23.1
149.09612	79.4
153.06976	11.6
157.10120	9.8
159.11694	12.2
161.13266	6.0
163.07567	7.2
167.07071	12.2
169.10175	7.9
169.12267	8.4
171.11656	5.6
173.13333	7.3
181.06415	17.3
189.11223	21.7
199.55086	6.0
209.15269	6.8
213.09102	23.5
220.05254	6.0
227.12694	9.2
229.19493	10.3
239.18167	6.3
245.13884	11.2
257.19052	17.6
260.08496	7.5
275.20056	100.0
335.12720	13.9
346.16415	15.7
349.23743	89.9
355.53583	6.8
367.07343	12.6
367.15311	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
54.94104	2.1
55.01869	20.9
55.05513	37.4
56.96560	5.8
57.03440	19.3
64.69556	1.8
65.03929	3.6
65.80259	1.8
67.05507	72.3
69.03426	7.8
69.07071	40.7
69.07446	2.0
71.04991	3.4
71.08612	4.2
71.30654	3.2
71.30985	2.6
73.02912	2.4
79.05060	3.5
79.05499	61.1
81.03425	5.5
81.07061	100.0
82.07394	2.3
83.04978	9.5
83.08636	18.3
83.69219	1.9
85.06548	7.1
91.05486	47.2
93.07047	48.4
95.04964	14.8
95.08611	57.3
97.06541	24.7
97.10182	13.8
98.97584	2.9
99.08095	6.4
103.05484	2.7
105.07035	45.7
107.04945	13.5
107.08601	42.3
109.06497	11.6
109.10159	29.8
110.28750	1.9
111.04483	2.2
111.08089	6.2
112.99181	2.0
115.05421	2.6
116.98591	4.0
117.07025	18.4
117.15089	1.7
119.08582	37.9
121.06491	6.3
121.10159	18.8
123.08108	3.8
123.11715	9.2
125.09653	12.8
128.06169	2.0
128.98643	2.4
129.07021	6.5
131.04945	2.6
131.08588	20.9
133.06453	2.8
133.10129	28.3
134.99617	2.8
135.08069	9.7
135.11685	9.7
137.06015	6.6
137.09608	8.2
139.07524	2.4
141.06995	3.2
142.07794	2.5
143.08531	4.6
144.09279	2.2
145.06516	2.2
145.10123	19.3
147.11685	19.4
149.01256	5.1
149.09610	25.4
149.13240	7.6
151.11189	6.9
155.08585	3.5
155.39117	2.3
156.03601	2.2
157.10147	6.5
159.08112	3.1
159.11681	15.2
161.13306	4.7
163.07550	3.2
163.11203	9.9
165.12750	5.2
167.08546	2.8
169.10135	4.0
171.07887	2.0
171.10175	8.6
171.11586	4.6
173.13307	9.5
175.11118	2.6
177.00716	4.0
177.12839	3.6
179.14389	2.8
181.06516	4.4
181.10144	3.0
183.08104	3.6
183.11699	3.9
185.13316	2.8
189.11244	10.6
189.12778	2.3
195.11798	2.6
195.13823	3.5
197.09691	4.7
197.13242	4.2
199.14835	2.7
209.09700	2.0
213.09151	4.7
225.12762	2.0
227.12889	6.7
229.19556	3.6
239.17996	8.0
245.13870	4.0
247.20621	9.2
252.00430	2.1
253.18135	2.4
257.18954	12.8
264.63943	2.3
269.17499	6.1
275.20065	77.5
293.21045	21.6
349.23941	35.7
358.16367	14.6
358.66708	3.9
366.66360	4.4
367.15384	8.5
367.24670	40.6
368.24277	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01880	7.5
55.05266	1.4
55.05513	20.2
56.96569	7.4
57.03444	7.9
57.07064	2.5
59.05000	1.3
62.14957	0.9
67.05173	2.0
67.05506	25.1
69.03421	2.7
69.07064	19.3
71.04968	2.0
71.08630	22.8
71.59760	1.6
79.05491	18.4
81.03413	4.3
81.07055	24.5
82.13366	1.0
83.04984	4.5
83.08621	7.5
83.49982	1.0
85.06538	2.3
91.05489	14.9
91.12203	1.2
93.07038	12.1
95.04985	6.5
95.08605	12.2
96.26431	0.9
97.06533	3.5
97.10166	7.8
99.08092	16.5
103.05468	1.1
105.04542	1.0
105.07026	14.3
107.04944	5.9
107.08598	13.7
109.06503	3.8
109.10150	9.1
111.04411	1.1
111.08092	2.1
117.07023	4.4
119.08580	6.1
121.06489	4.0
121.10144	5.5
123.08053	3.2
123.11703	2.6
125.09676	4.7
129.06969	1.3
131.04947	1.3
131.08560	4.3
133.10132	11.2
135.08075	2.7
135.11696	2.4
137.05977	3.2
137.09592	2.6
139.11215	2.3
140.86456	1.0
143.08575	1.5
145.10159	3.9
147.11687	3.1
149.09613	2.3
149.13277	2.7
151.11194	4.6
157.10155	1.8
159.08078	1.1
159.11679	4.9
161.05975	1.3
161.13167	1.1
163.07555	1.7
163.11209	2.5
165.12764	1.7
167.10704	3.6
169.10193	1.0
171.98714	1.3
173.01137	1.1
173.13286	1.1
177.12781	3.1
189.11227	3.6
191.07091	1.2
195.13864	1.6
195.97478	1.0
213.09143	2.1
223.13142	1.5
227.12782	1.2
229.19481	1.3
247.20694	3.0
257.19043	2.1
265.21667	1.2
275.20087	20.6
276.20602	1.4
293.21112	100.0
294.21585	2.8
316.03976	1.3
317.04919	4.2
321.04605	1.2
327.03201	13.3
327.06329	1.2
335.05890	9.9
340.39392	1.0
345.04315	22.9
349.03937	2.0
349.23999	4.7
350.04651	1.5
358.07327	1.4
363.05368	61.4
367.04846	7.9
367.15677	4.2
367.24832	47.3
368.06143	2.8
368.25195	2.3
381.06458	96.3
385.05826	2.0
386.07037	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	367.2482
Annotation	Betaenone A
Peak:m/z	Relative Intensity
52.43958	1.2
53.03947	1.2
55.01863	5.6
55.05516	13.7
55.80219	1.2
57.03423	5.1
57.07039	1.7
59.05005	1.1
62.83321	1.1
64.15181	1.1
64.83475	1.3
65.03920	1.5
67.05507	25.4
69.03430	3.3
69.07070	14.1
69.95760	3.5
71.04984	3.6
71.08631	3.8
73.02888	1.1
76.34920	1.1
77.94841	1.1
79.05499	19.3
81.03424	1.9
81.07056	27.7
83.04983	8.8
83.08615	5.2
91.05482	18.4
93.07043	24.1
95.04963	8.4
95.08603	16.3
97.06520	4.4
97.10162	3.2
105.07035	22.6
107.04948	8.1
107.08600	16.7
109.06519	9.3
109.10151	8.0
111.08096	1.8
115.05521	1.6
117.07027	8.7
119.08575	13.9
121.06488	10.2
121.10136	7.3
123.08054	4.9
123.11718	1.7
125.09608	3.8
128.06209	1.3
129.07027	2.1
131.04926	2.4
131.08551	15.3
133.06491	2.6
133.10141	17.1
135.08092	5.2
135.11717	5.7
137.05971	5.6
137.09596	3.5
141.07048	1.6
143.08548	4.1
145.06477	2.3
145.10118	12.9
147.08035	4.6
147.11688	9.7
149.09615	6.6
149.13266	3.6
151.11189	4.9
155.08530	2.3
155.56424	1.2
157.10153	4.3
159.08099	2.4
159.11691	8.2
161.09595	2.3
161.13203	2.8
163.07588	3.1
163.11214	6.8
163.14822	1.4
165.12784	1.4
167.07014	3.5
169.10117	1.3
171.11681	3.1
173.09657	3.1
173.11926	1.3
173.13280	4.7
175.07581	1.3
175.11246	2.9
175.14833	1.6
177.12796	3.3
181.06519	2.3
183.11725	2.9
185.13310	1.6
189.11264	1.4
189.12811	1.6
191.14287	2.2
193.08649	2.1
201.12727	1.4
207.13785	2.7
213.09111	3.3
215.64960	1.3
219.13838	2.9
221.06503	1.1
229.19539	2.5
237.19823	1.2
239.17845	2.6
247.20563	3.8
257.18967	13.0
261.13834	1.3
275.20074	100.0
276.20413	5.3
284.21869	1.3
293.21091	14.4
335.12854	3.3
349.23743	49.4
350.24100	2.5
367.15323	9.3
367.24915	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	367.2481
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03928	5.0
55.01871	17.9
55.05509	36.3
56.96563	2.0
57.03435	23.7
57.07055	1.5
59.05006	1.4
65.03927	2.3
67.05503	74.0
68.05813	2.0
69.03429	9.8
69.07063	28.5
69.51402	9.5
69.51819	3.2
71.04978	5.5
79.05490	58.8
81.03427	6.5
81.07053	100.0
82.07380	1.7
83.04987	13.0
83.08205	1.9
83.08619	19.8
85.02904	2.3
85.06527	5.3
91.05482	45.2
93.06471	2.7
93.07045	49.3
94.07363	2.3
95.04952	13.4
95.08610	44.5
97.06528	27.7
97.10171	9.0
98.20818	3.3
99.08089	2.7
103.05450	2.0
105.07036	45.8
105.07704	1.7
106.07388	1.6
107.04948	10.7
107.08594	40.0
109.06513	11.5
109.10147	27.1
111.08084	6.2
113.09637	1.3
115.17747	1.4
117.07030	13.5
119.08585	35.5
121.06487	5.5
121.10144	24.3
123.08089	7.5
123.11709	9.2
125.09586	7.6
127.07572	1.4
129.07002	4.1
131.04945	1.6
131.08565	20.8
133.10121	27.1
135.08046	6.4
135.11659	13.0
137.06000	3.2
137.09610	6.3
139.07602	2.5
139.11182	2.3
141.06995	1.9
143.08572	3.9
145.10115	22.5
147.10632	2.2
147.11688	20.1
149.09618	20.9
149.13237	9.7
151.11140	3.9
153.06969	1.3
155.08527	2.7
156.10266	1.4
157.10104	7.6
159.08049	1.5
159.11670	13.9
161.09666	2.1
161.13281	5.9
163.07547	2.2
163.11140	11.1
165.12767	4.8
167.07071	1.9
169.10141	3.4
171.10242	2.8
171.11671	4.1
173.09636	2.4
173.11821	3.0
173.13261	6.1
175.11220	4.6
177.12761	5.4
181.06544	3.0
183.11668	2.4
185.13344	2.2
187.07541	1.4
187.11108	1.5
187.14864	2.6
189.11258	5.8
189.12805	1.6
191.10583	1.4
193.12209	3.9
195.13800	4.7
197.13297	3.0
199.14818	1.3
201.12598	1.4
203.14359	1.4
205.06203	1.4
211.14799	1.7
211.97987	1.5
213.09175	2.2
218.57085	1.4
219.17488	1.6
223.13240	1.9
227.12773	3.2
229.14270	4.2
229.19536	2.9
233.18932	1.9
235.16963	2.6
239.18028	4.5
247.20503	7.7
251.20090	1.5
257.19019	14.7
265.21594	1.9
267.15817	1.6
269.17554	8.4
275.20068	68.9
276.20444	2.3
291.19595	2.1
293.20743	8.0
307.22775	1.5
316.56689	1.4
328.83386	1.3
331.22815	1.8
335.12659	1.4
349.23709	33.7
367.15396	4.7
367.24774	50.1
368.25067	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01674	2.3
55.01876	27.8
55.05515	38.6
56.96568	5.1
57.03233	1.8
57.03445	19.7
57.07071	3.3
60.04510	8.0
65.03947	3.8
67.05508	72.3
69.03416	7.9
69.07071	53.1
69.28046	23.1
71.04987	8.0
79.05062	3.9
79.05498	65.1
79.64352	2.1
81.03423	9.7
81.07061	88.1
82.07403	2.9
83.04986	17.5
83.08630	19.1
84.08105	2.6
85.02887	3.9
85.06535	6.4
86.09716	11.6
91.05485	63.3
92.05788	2.6
93.06472	4.3
93.07048	73.8
94.07397	2.8
95.04973	26.3
95.08609	56.6
97.02931	2.6
97.06536	43.0
97.10156	22.0
98.20657	3.7
99.04452	1.9
99.08096	4.2
103.05459	3.4
105.07031	60.8
107.04955	23.5
107.07867	3.4
107.08595	65.5
109.06519	17.1
109.10165	24.8
111.08086	8.6
112.07615	9.1
115.05492	4.1
116.06326	1.9
117.07008	22.0
119.08581	37.9
121.06506	6.5
121.10153	29.9
123.08054	7.6
123.11725	6.5
125.09618	15.4
128.06215	3.7
128.10716	6.4
129.07008	7.9
131.04921	3.8
131.07108	2.9
131.08571	25.2
133.06497	5.1
133.10138	41.1
135.08043	10.1
135.11710	17.7
137.05971	6.7
137.09607	7.1
137.13234	2.5
139.11182	3.1
143.08563	8.8
145.06514	3.0
145.10133	34.1
147.08022	4.0
147.11682	25.3
149.09621	35.2
149.13275	9.4
151.11240	6.0
153.06996	3.1
155.08577	4.9
157.10118	4.9
159.08015	3.1
159.11691	24.7
161.09683	6.2
161.13271	11.0
163.07542	2.7
163.10060	2.2
163.11183	13.8
163.14857	2.5
165.09128	2.5
165.12827	2.5
167.06969	3.4
169.10127	4.9
171.10155	5.7
171.11716	9.3
172.09702	3.3
173.11859	3.4
173.13280	15.0
175.07538	2.7
175.11194	3.3
175.14828	2.8
177.12825	10.6
180.13857	3.4
181.06453	8.0
183.11714	5.6
185.13274	5.1
187.11342	4.6
187.14813	2.8
189.11224	11.1
189.12752	3.5
191.06883	3.1
191.14342	2.7
195.13791	3.1
197.13203	2.9
201.16342	2.9
203.14366	2.4
213.09120	4.7
215.17885	2.2
219.17461	10.1
223.13359	5.5
227.12802	6.0
229.19562	5.1
233.19102	3.0
239.17937	9.8
245.13867	4.5
247.20636	6.8
257.18994	22.1
263.20047	2.3
269.10699	3.3
269.17499	7.0
273.18423	2.5
275.07092	2.7
275.20068	100.0
276.20230	2.9
285.10132	2.2
290.21219	3.3
291.19485	3.1
293.20996	9.6
308.22061	3.7
309.20673	4.6
324.63483	2.5
331.22720	4.7
335.05585	2.5
349.17374	2.8
349.23825	57.5
350.23611	7.4
367.15256	9.9
367.25018	45.9
368.24448	39.4
385.18695	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01872	14.7
55.05513	22.5
56.96551	3.6
57.03432	15.7
57.07046	2.8
64.93962	1.8
65.03938	2.9
66.91731	2.0
67.05171	3.0
67.05506	49.6
69.03424	6.4
69.07068	28.3
69.40688	2.0
70.73112	6.0
71.04997	3.8
71.08627	4.9
79.05494	42.5
81.03436	2.8
81.07063	56.9
83.05004	9.9
83.08627	17.0
85.02905	3.5
85.06552	4.7
91.05477	42.9
93.07046	49.9
95.04961	13.5
95.08614	31.9
97.06546	20.5
97.10157	8.0
98.97579	3.3
99.08097	5.0
103.05489	7.0
105.07031	45.7
107.04965	12.8
107.08595	38.9
109.06521	14.0
109.10168	15.1
111.08096	4.5
115.05527	2.1
116.98640	2.4
117.07029	16.3
119.08582	32.5
121.06511	11.1
121.10117	18.9
123.04449	1.8
123.08076	8.2
123.11698	4.0
125.09641	5.8
129.07013	7.3
131.04959	4.7
131.07091	2.4
131.08575	25.7
131.41780	2.0
133.06532	4.3
133.10144	25.6
135.08029	9.9
135.11740	9.7
137.05986	7.1
137.09615	5.5
141.07007	2.4
143.08562	8.5
145.06540	3.0
145.10106	17.2
147.08113	3.6
147.11699	15.2
149.09615	17.1
149.13309	3.6
151.11214	4.0
153.07019	3.7
155.08525	3.4
157.10133	6.4
159.08063	2.3
159.11696	16.5
161.05991	2.6
161.09657	6.6
161.13252	5.0
163.07516	5.9
163.11192	13.3
165.12779	4.2
167.07060	12.0
169.10149	2.6
171.11621	2.9
173.09633	2.5
173.13263	9.3
175.07562	4.8
175.11208	4.3
175.14821	3.5
177.12762	5.3
181.06473	11.6
183.11732	4.4
185.13336	4.3
187.07542	3.0
187.11147	3.6
189.11205	5.1
191.07045	3.1
191.14267	2.3
197.13310	3.3
201.16411	2.6
203.14359	4.4
205.08578	3.5
213.09077	5.6
219.17464	29.9
219.79160	2.0
229.19490	3.9
239.14206	2.0
239.17989	6.7
247.20593	5.4
257.18967	14.5
275.20065	100.0
276.20444	7.3
277.08530	2.6
277.21616	3.0
285.17020	2.4
293.21097	26.2
335.12762	5.6
336.13571	3.3
349.16873	3.0
349.19763	3.7
349.23740	54.6
350.24069	3.2
367.08420	2.8
367.15079	24.2
367.24847	34.1
368.15817	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01879	11.0
55.05512	29.9
56.96555	2.2
57.03446	15.9
57.07072	3.0
59.05000	4.0
63.68806	1.6
65.03940	5.0
67.05510	100.0
68.05821	2.0
69.03423	8.7
69.07069	30.8
69.87935	1.8
70.06589	1.9
71.04991	6.3
79.05061	2.8
79.05500	44.4
81.03400	6.6
81.07065	74.2
82.07397	2.8
83.04989	11.2
83.08624	12.2
84.04504	2.1
85.02905	5.7
85.06530	3.7
86.09692	3.8
91.05479	38.3
91.06019	3.4
92.61763	1.7
93.07052	38.5
95.04961	14.1
95.08613	49.0
97.02915	3.4
97.06534	20.5
97.10174	13.5
98.06878	2.1
98.20761	3.6
99.08064	2.6
105.07036	32.5
106.07394	2.2
107.04945	10.8
107.08598	33.3
108.46832	1.9
109.02924	2.9
109.06535	10.5
109.10171	38.1
111.04443	2.1
111.08093	3.6
111.11725	2.3
117.07019	11.8
119.04939	2.1
119.08587	24.7
120.08889	2.6
121.06514	8.9
121.10171	15.3
123.04401	3.8
123.08086	5.2
123.11717	5.3
125.02289	2.2
125.09636	12.4
127.03916	2.1
128.06180	1.9
129.06996	5.8
131.04909	2.9
131.08572	15.3
133.10147	16.5
135.04425	2.0
135.08035	6.5
135.11684	8.8
137.05998	9.9
137.09622	8.3
138.06296	4.0
141.06949	2.1
142.07797	3.0
143.08493	3.8
145.06448	3.1
145.10162	17.3
147.08038	4.0
147.11668	14.0
149.09648	12.0
149.13278	5.5
151.11203	2.7
153.07025	2.3
153.09050	2.0
157.10181	3.2
159.08104	2.3
159.11745	13.2
161.09554	3.8
161.13228	4.5
163.03932	6.6
163.11212	8.6
165.12801	4.7
166.11029	1.8
169.10112	2.2
171.11711	4.6
173.11737	6.3
173.13255	6.0
176.07071	4.0
176.10768	6.0
177.07425	5.8
177.11063	8.1
177.12766	6.3
178.11414	2.1
179.14360	2.2
181.06483	3.5
183.11595	2.0
184.07326	4.5
185.13309	2.1
187.07451	2.1
187.11209	2.6
187.14902	3.3
189.11223	6.6
193.12349	2.3
197.13295	4.2
201.12921	2.3
205.10770	4.0
206.11218	7.7
207.11491	3.9
207.13757	2.3
208.12016	2.4
213.09161	2.1
213.16417	2.1
229.19635	5.7
229.22273	2.0
239.18015	4.6
247.20692	2.3
253.79662	2.1
257.19070	9.0
275.20090	47.3
276.20541	2.5
293.21011	5.9
303.17749	14.2
304.18185	12.6
305.18427	37.8
349.20612	8.4
349.23792	13.1
350.19461	5.3
367.21475	31.0
367.24854	32.3
368.25397	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01875	25.2
55.05260	2.5
55.05515	32.1
56.96555	5.6
57.03438	14.5
59.04975	2.1
65.03951	4.2
67.05505	62.2
69.03416	4.0
69.07072	44.2
70.07412	2.2
70.69264	5.4
70.82941	1.6
71.04989	5.1
71.08593	2.7
73.06566	1.7
75.35933	1.8
79.05495	51.8
81.03422	5.3
81.07059	92.8
82.07371	2.8
83.04984	9.3
83.08617	20.7
85.02906	2.1
85.06538	4.0
91.05481	46.1
91.06012	3.4
93.07044	48.8
94.07378	2.0
95.04967	13.0
95.08611	40.0
97.02888	2.3
97.06530	34.5
97.10158	9.5
98.97592	6.7
99.08102	5.2
105.07030	53.0
106.07365	2.1
107.04952	15.5
107.08602	46.9
108.08949	2.9
109.06526	13.0
109.10148	21.3
111.08086	5.3
114.68102	1.7
115.05466	1.7
116.98621	4.4
117.07036	13.5
119.07771	3.3
119.08587	32.1
121.06517	6.2
121.10136	20.1
123.08068	10.4
123.11688	9.6
124.65958	1.7
125.09622	10.2
128.98599	2.9
129.07001	4.2
131.00191	3.1
131.08586	16.9
133.06541	2.9
133.10135	26.9
134.99748	2.0
135.08057	7.5
135.11684	14.1
137.05988	4.4
137.09621	4.1
137.13290	2.8
141.07007	2.5
143.08560	5.3
145.06519	2.5
145.10130	23.5
147.07961	2.0
147.11685	26.9
149.01256	4.8
149.09633	24.9
149.13277	8.0
149.66327	1.9
151.11189	5.0
155.08569	2.7
157.10136	5.0
159.11714	14.8
161.09560	3.9
161.13264	7.7
163.07558	3.8
163.11205	16.2
165.12778	7.5
166.06271	1.7
167.07033	3.5
169.10188	3.4
170.99654	1.8
171.10187	3.8
171.11659	4.4
173.13303	6.9
175.11159	4.0
177.00671	4.3
177.12749	6.0
181.06474	2.9
183.11719	4.5
185.13188	1.9
187.11287	2.6
189.00732	6.5
189.11255	8.7
191.06999	2.1
191.14296	3.4
193.12314	2.1
197.13300	3.3
201.12811	2.1
205.12257	2.6
213.09169	2.6
215.17946	2.1
227.12842	7.9
229.19490	4.9
237.02788	1.9
239.17926	7.3
243.93341	1.7
245.13870	4.9
247.20613	7.2
251.20059	2.1
257.19000	13.9
269.17355	1.9
275.20081	100.0
276.20398	4.1
277.21649	3.5
278.22104	2.9
293.05444	2.1
293.21194	17.6
296.77991	1.8
321.04950	2.8
322.05612	3.0
335.12619	2.7
349.23770	42.6
350.24179	3.3
367.15411	7.3
367.24872	47.0
368.25299	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98605	2.5
55.01871	6.4
55.05509	12.3
57.03450	13.0
57.07085	3.4
60.39354	2.6
61.02921	7.6
67.05504	27.2
68.37399	2.2
69.03430	2.8
69.07075	20.8
71.05003	3.9
71.08630	7.5
71.58682	3.7
73.02908	3.7
79.05131	2.3
79.05489	17.6
81.03397	2.6
81.07061	27.7
83.04989	4.2
83.08620	6.1
85.02901	7.3
85.06543	3.2
91.03939	7.1
91.05475	29.9
93.07046	28.5
95.04964	7.2
95.08600	24.0
97.02919	6.7
97.06538	8.1
99.08128	8.0
105.07026	26.2
107.04961	8.5
107.08598	19.5
109.06537	3.2
109.10162	10.7
111.08099	2.8
117.07033	12.8
119.08599	20.1
121.06524	5.0
121.10165	13.6
129.07002	4.9
131.04991	2.8
131.08560	13.2
133.10135	10.5
135.11713	8.1
137.05983	3.3
137.09602	3.3
141.07033	2.5
145.10152	10.8
147.11708	5.3
149.09695	4.4
149.13272	5.1
151.11215	3.1
157.10100	3.4
159.11765	6.0
161.13354	5.8
162.16005	3.0
163.07628	4.1
163.11256	3.1
165.12773	2.7
167.07039	6.2
173.13251	6.4
177.12811	3.1
181.06502	3.9
185.13260	3.9
186.95882	2.3
200.39514	2.7
201.09145	2.4
201.16365	4.7
203.14362	5.3
213.09355	3.0
219.17456	100.0
220.17754	3.4
239.17940	3.2
257.18954	3.6
275.20074	28.8
293.21127	43.0
335.12811	3.5
349.23703	28.5
350.26974	5.0
367.15359	14.5
367.24838	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1543
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
53.03943	1.7
54.03201	1.7
55.01860	1.9
55.05498	5.3
56.96524	1.8
57.03437	2.7
57.07061	2.2
67.05502	7.5
69.07068	4.0
70.11548	7.4
75.23994	1.5
75.35637	1.6
79.05482	6.7
81.07063	10.7
83.04974	2.3
83.08624	2.0
85.02909	2.2
91.05457	8.0
93.07034	5.2
94.04182	2.4
95.04979	4.5
95.08597	6.1
97.06512	2.7
103.05475	24.4
105.07034	20.6
107.04962	7.1
107.08588	6.2
109.06576	3.3
109.10203	4.2
115.05475	5.2
117.07023	7.9
118.04174	6.1
119.07665	1.6
119.08551	5.5
121.06499	2.2
121.10151	3.9
122.03647	9.4
123.04489	1.9
124.05270	2.3
129.07013	3.0
130.04138	2.0
131.04935	43.7
131.08554	4.0
131.16359	1.7
131.45317	1.7
132.05624	2.5
133.06488	12.0
133.10135	6.1
135.08069	2.2
137.05984	100.0
143.04913	2.6
143.08554	2.6
144.05721	2.0
145.06493	6.8
145.10109	4.1
146.03633	7.9
147.11623	3.4
148.05240	4.5
149.09628	2.0
151.07425	1.7
152.06248	1.9
153.07008	8.7
155.04890	4.6
155.08527	2.2
156.05783	1.8
157.10188	1.8
160.05203	3.0
161.05992	25.9
163.07559	63.0
164.07930	2.3
167.07037	18.2
171.08022	3.5
173.05951	2.9
174.06744	1.8
175.07565	20.1
176.04739	3.5
181.06432	17.1
183.07936	1.8
187.07559	14.0
189.00525	2.2
189.09152	2.7
191.07024	31.0
193.06841	2.8
193.08615	52.8
195.08194	2.5
198.06897	2.3
199.07521	4.6
202.06157	3.3
205.08653	7.7
211.07506	4.2
213.09114	13.9
215.08801	2.3
217.08522	10.5
219.08090	3.8
231.08151	2.7
231.10159	13.2
232.08807	5.9
238.23563	1.8
243.08061	2.5
245.09761	2.0
247.07608	3.4
247.11154	3.8
249.09117	2.5
257.19022	2.7
260.08438	3.8
261.08972	2.6
271.07526	2.3
275.07944	2.4
275.10690	11.1
275.20084	19.2
277.08713	4.0
278.09158	2.2
279.10107	2.4
281.11691	2.3
288.07809	3.4
291.10114	2.5
292.11014	6.2
303.10303	9.3
305.08206	2.6
306.12531	1.8
307.09680	4.9
307.13315	10.4
312.99350	1.8
320.10413	2.9
321.11356	2.8
335.12778	23.1
336.13593	3.6
337.10840	2.8
339.12115	2.4
339.16000	3.2
349.23804	9.0
352.12958	3.5
367.15427	99.7
367.24716	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	367.1543
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
50.01204	1.4
55.05511	4.4
56.96550	1.9
57.03426	3.1
60.98306	1.6
65.03940	2.4
66.90666	1.6
67.05503	8.5
69.03425	2.1
69.07061	4.0
70.49760	4.3
70.82533	1.7
79.05497	9.0
81.07070	11.1
83.04994	3.1
83.08616	4.2
91.05495	9.4
93.07040	6.3
94.04223	1.9
95.04961	3.3
95.08604	6.2
103.05470	21.8
105.07035	18.2
107.04964	7.4
107.08610	5.1
109.06541	2.0
109.10155	5.7
109.47188	1.7
115.05451	7.6
117.07039	5.1
118.04186	4.3
119.08592	4.1
121.06557	2.4
121.10143	4.3
122.03667	7.5
129.07018	3.5
130.04161	2.9
131.04938	43.3
131.08588	5.1
133.06505	12.5
133.10152	7.7
137.05983	100.0
140.98349	1.7
141.06999	3.2
143.04906	2.3
143.08585	1.8
145.06509	7.0
145.10155	4.1
146.03647	7.6
147.08076	1.9
147.11714	2.7
148.05241	3.5
149.05946	1.8
149.09639	2.9
151.07507	2.1
151.11203	2.2
152.06271	2.7
153.07018	10.9
155.04935	5.6
156.05717	2.1
157.06534	1.8
159.11694	2.5
160.05217	5.0
161.05995	25.2
163.07545	65.8
167.07074	20.2
169.06444	2.2
170.07274	1.9
171.08026	2.6
172.05144	3.2
173.06001	4.0
175.07553	18.7
176.04750	5.5
179.07056	2.3
181.06494	19.6
183.08003	2.3
187.07590	11.2
189.00656	2.9
191.07048	31.0
193.08624	45.0
199.07542	4.0
202.06143	2.5
205.08626	7.2
211.07599	3.9
213.09149	14.6
215.08601	3.4
217.08658	11.9
219.08098	3.1
231.08173	3.1
231.10196	14.6
232.08960	4.8
235.07507	1.8
243.10228	2.2
247.07614	4.6
247.11261	5.1
248.08197	2.0
249.09099	2.6
257.18982	2.8
259.07730	2.4
260.08170	4.1
261.69907	1.8
263.07208	1.8
264.07904	2.2
275.10593	10.9
275.20053	25.7
277.08588	5.8
279.10245	2.1
288.07840	2.0
289.08710	2.8
291.10172	2.7
292.07584	2.4
292.10950	4.6
293.20990	2.9
299.50317	1.8
303.10208	11.2
305.07901	1.9
307.09781	4.2
307.13303	9.2
321.11261	2.4
335.12756	26.7
336.13623	2.8
337.10782	1.9
339.12265	2.8
349.23712	10.1
367.15417	98.4
367.25031	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	367.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05502	1.2
56.96566	0.8
57.03424	1.2
59.05001	0.5
63.62604	0.4
63.85033	0.4
64.28454	0.5
67.01862	3.7
67.05494	1.6
69.03426	1.1
69.07058	1.3
70.06608	0.5
71.04995	0.8
71.59241	0.8
79.05477	2.6
81.03410	1.9
81.07056	3.4
83.04997	0.7
83.08628	0.5
85.02906	1.1
89.03916	3.4
91.05476	3.5
93.07042	2.6
95.04942	1.2
95.08607	2.0
95.78401	0.4
97.02912	2.1
97.06524	1.8
97.10130	0.5
98.06854	0.5
99.04450	1.3
103.05432	0.6
105.07028	2.1
107.04964	2.2
107.08572	2.0
109.02884	2.3
109.10146	1.3
111.04449	0.5
117.03386	5.3
117.07015	0.6
119.03392	0.6
119.08591	1.6
119.31915	0.5
119.83152	0.4
121.10146	1.0
123.08070	0.5
125.09692	0.5
127.03922	15.6
129.06950	0.5
131.08548	0.9
133.10147	0.9
135.04414	15.5
135.08040	0.8
135.11685	0.5
137.05977	1.5
138.04529	0.4
138.06305	0.7
143.08620	0.6
145.02837	8.6
145.06517	0.5
145.10104	0.9
147.04352	0.6
147.11717	0.9
157.10139	0.8
159.08102	0.5
161.05936	0.4
163.03903	100.0
164.04239	2.9
165.21501	0.5
167.07002	1.1
175.07513	0.4
176.07088	0.4
176.10683	0.5
177.07378	0.7
177.09303	0.4
177.11024	1.3
177.12595	0.4
178.07623	0.9
178.11331	0.9
179.97800	0.4
181.06506	1.6
184.07321	0.9
187.07552	0.8
201.16391	0.5
205.10701	0.7
206.11166	1.1
207.11530	0.6
213.09102	0.7
220.16605	0.5
243.10832	0.9
275.19775	0.8
289.07083	2.2
303.17804	2.6
304.17978	2.5
305.18417	6.2
335.12595	0.6
349.21024	1.9
367.14789	2.6
367.21936	7.8
378.54953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.53977	0.2
55.01872	0.2
55.05498	0.7
56.96558	0.3
57.03444	0.2
57.07055	0.3
61.02905	0.2
63.02376	0.3
67.01859	0.3
67.05492	0.5
69.03413	0.7
69.07069	0.4
71.04987	0.3
71.59183	0.2
79.05485	1.0
81.03415	0.8
81.07037	0.6
83.04983	0.3
85.02885	0.5
85.06511	0.2
89.03918	3.1
89.04430	0.3
91.05463	0.6
93.07034	0.5
94.50118	0.2
95.04961	0.2
95.08582	0.4
96.76528	0.2
97.01083	0.2
97.02894	1.6
97.06512	0.5
99.04453	0.4
100.11259	0.4
105.07040	0.5
107.04943	1.5
107.08586	0.4
109.02895	2.3
109.10140	0.2
110.07170	0.8
116.98644	0.2
117.03375	4.3
119.04915	0.3
119.08557	0.3
121.10136	0.4
125.09597	0.3
127.03908	1.7
133.10097	0.4
135.04417	13.2
136.04765	0.4
137.05994	0.5
138.29060	0.2
145.02853	8.6
145.10126	0.5
147.04387	0.4
147.08112	0.2
147.09215	0.2
147.79932	0.2
159.11649	0.4
163.03905	100.0
164.04248	2.8
186.05516	0.4
219.01755	0.2
222.12383	0.4
245.12994	0.2
263.31982	0.2
276.14374	0.2
280.86499	0.2
291.13409	0.2
303.17957	0.5
304.18085	0.3
305.18430	1.7
323.19415	0.3
349.20673	0.5
358.21674	0.4
366.72119	0.2
367.15488	0.3
367.17245	0.2
367.22250	3.7
367.63760	0.2
367.72345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21026	3.1
53.66030	3.2
55.05506	24.4
57.06825	3.6
57.07082	41.0
67.05507	13.5
69.03435	4.6
69.07054	13.7
71.08643	24.2
79.05477	11.7
81.07062	15.5
83.04964	5.5
83.08597	10.7
85.10201	21.6
86.09707	4.5
89.06031	98.7
90.17353	3.0
91.05485	5.0
93.07040	7.9
95.04969	6.5
95.08598	9.1
97.06538	3.1
97.10165	19.2
99.08127	3.0
99.11732	6.7
105.07052	7.4
107.04992	3.4
107.07043	9.2
107.08588	11.3
108.08113	3.7
109.10191	5.6
117.06937	4.1
119.08549	5.3
121.06561	3.7
123.03120	3.2
125.09607	14.0
133.08594	41.5
140.14351	17.3
145.10123	3.7
149.09602	5.2
151.09673	5.2
154.12334	5.7
155.17827	3.3
163.11127	6.3
177.11194	12.9
177.12610	4.5
180.13763	4.8
182.15401	4.3
195.12279	60.2
203.13222	3.1
208.13354	3.2
240.15979	3.8
243.23218	5.1
274.21732	4.4
275.20074	9.0
279.73026	3.7
292.22760	13.1
306.24268	13.5
307.22736	27.0
324.25186	10.4
349.29471	59.6
350.29858	4.9
366.26401	100.0
367.26498	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	366.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65199	0.6
61.90691	0.7
65.39009	0.7
67.36819	0.8
70.04543	3.3
104.93713	0.7
119.01923	3.0
137.02942	2.1
139.18768	0.7
177.00970	11.5
178.01062	1.1
179.00700	0.9
201.07205	1.8
202.47218	0.8
216.47713	0.6
216.98911	1.1
217.04140	1.1
218.03722	0.9
219.02016	21.0
220.02103	1.6
221.01851	2.2
222.97824	0.9
235.00035	6.6
236.00070	1.0
240.98959	1.5
242.03633	1.4
243.02048	2.0
253.01118	4.7
254.01195	0.9
258.03152	0.8
259.00015	15.9
260.00110	2.2
261.00067	3.0
261.03055	45.2
262.02908	1.0
263.02881	1.4
264.98978	2.6
277.01074	32.7
278.01245	4.0
279.01004	5.6
280.00824	0.9
282.01346	1.1
282.99985	34.7
283.06287	2.1
284.00067	3.1
284.04697	4.1
301.01050	100.0
302.01123	9.4
303.01114	2.5
304.00809	0.9
319.02100	10.1
320.02411	0.9
324.02930	4.3
325.00970	6.4
341.02362	2.1
342.01935	7.6
343.02121	45.9
343.08417	1.3
344.02264	3.3
360.02698	1.1
361.03183	22.0
362.03030	1.1
366.03857	5.0
384.03210	4.8
385.03268	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	366.1762
Annotation	isopentenyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
50.42666	1.0
53.03949	1.4
55.01861	3.4
55.93531	1.3
56.05022	1.3
56.96573	1.3
57.03435	2.8
60.04533	2.1
61.02919	4.8
67.05495	3.9
69.03432	9.9
70.06586	4.1
71.04979	1.1
71.56960	2.0
72.04520	2.4
73.02924	2.9
79.05482	6.6
80.04998	5.7
81.03403	4.0
81.07059	9.5
82.06580	32.0
83.04982	2.0
84.04508	2.4
84.08134	1.2
85.02905	24.5
85.06545	3.6
86.06063	1.9
86.09680	1.3
87.04476	1.6
91.03952	1.6
91.05499	7.1
93.07038	7.4
94.06567	19.2
95.04975	6.4
97.02891	8.9
97.03825	1.1
98.97598	3.1
99.04444	2.3
106.06578	2.2
107.04950	5.3
108.08124	12.6
109.02885	4.4
109.06529	5.0
110.06003	1.7
110.09649	1.3
112.07603	2.3
115.03906	3.2
116.98627	3.2
119.04942	2.2
120.01176	4.4
122.05987	1.3
124.07604	12.4
126.09160	1.8
127.03933	4.6
128.98622	1.4
134.99710	2.4
136.07565	19.5
137.05992	8.1
138.09129	2.2
145.04971	1.8
146.99614	2.0
147.05984	2.0
148.04321	1.5
154.08630	19.8
156.10210	37.6
158.97644	1.2
162.96927	1.3
166.07307	1.1
168.10208	30.3
169.10573	1.3
170.11816	1.8
177.00694	2.0
185.04175	1.6
186.04565	2.0
186.11255	100.0
187.11629	2.5
203.05325	2.3
204.05591	4.0
204.12303	30.7
205.12749	1.5
234.98994	1.6
236.10672	4.8
253.04120	1.4
300.14417	2.0
307.04688	4.0
312.14490	2.4
325.06149	1.2
330.15512	1.9
342.83514	1.2
348.16498	20.5
349.16415	1.5
366.10916	10.5
366.17657	26.7
367.10672	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.52906	0.6
53.03936	0.8
55.01888	0.7
55.05524	3.2
57.07069	3.2
59.05002	0.6
64.54281	0.6
67.05510	6.6
69.03426	1.1
69.07061	3.7
69.25649	1.9
69.26059	6.0
79.05491	4.1
81.07052	6.7
83.04981	1.9
83.08632	2.0
85.06538	2.0
91.05474	6.8
93.07053	8.2
95.04974	9.4
95.08608	6.5
97.06514	1.8
97.10274	0.7
98.20768	1.1
105.07036	9.5
107.08612	6.9
109.06509	4.6
109.10152	4.5
111.04436	0.6
115.02769	0.6
117.07005	3.5
119.08588	11.8
120.02578	0.6
121.06499	1.4
121.10117	3.1
123.08063	4.7
123.11732	0.9
124.08871	1.3
125.05913	1.0
128.06212	1.5
129.07010	2.7
130.07764	0.8
131.08577	5.6
133.10133	4.3
135.08081	3.7
135.11667	1.5
137.06009	1.5
137.09616	0.8
141.06940	1.6
142.07800	2.6
143.08572	5.4
143.68817	0.6
144.09325	1.9
145.06425	0.8
145.10118	7.1
147.08052	1.8
147.11694	2.8
149.09642	1.0
151.07597	3.1
152.08337	5.0
153.07034	1.0
155.08556	2.3
155.10777	0.7
156.09357	2.8
157.10120	8.8
158.10846	1.1
159.08080	1.8
159.11693	6.4
161.09647	3.1
161.13217	1.9
163.11240	1.1
164.23735	0.7
165.07036	1.5
165.09132	7.9
167.08556	1.3
168.09395	1.1
169.10124	4.0
170.10875	1.8
171.11667	5.5
172.12378	1.4
173.09621	1.7
173.13287	2.7
175.11203	1.9
179.08559	2.0
179.10695	1.7
180.09355	1.6
181.10124	2.5
181.12334	0.9
182.10889	2.0
183.11687	5.8
185.09711	1.0
185.13246	5.8
187.11134	3.8
187.14835	2.5
192.09341	0.9
193.10092	3.4
194.10893	1.8
194.13081	2.4
195.11725	6.0
196.12444	2.1
196.14122	0.7
197.13339	4.8
198.14171	0.7
199.11212	1.2
199.14830	1.2
203.14360	1.1
205.15921	2.0
206.10876	1.5
207.11710	4.1
207.13737	1.3
208.12476	2.3
209.13268	5.2
210.13989	0.8
211.11143	0.9
211.14798	1.6
213.12782	2.7
219.11526	1.6
220.12457	1.3
221.13292	4.2
222.13966	1.4
223.11188	0.7
223.14867	3.6
224.15570	1.0
225.12775	1.2
227.14368	1.1
229.63089	0.8
233.13284	1.6
234.14011	1.2
235.14874	2.0
236.15608	1.2
237.16348	1.8
239.14317	1.0
247.14771	1.6
248.15666	1.6
249.16376	2.6
251.17943	1.8
255.17336	0.9
259.14755	1.4
263.17789	1.5
263.20242	1.5
265.15891	1.0
265.19510	1.3
267.17432	1.6
269.19019	1.9
273.16238	1.0
277.15817	0.8
277.19452	0.9
281.19046	0.9
282.19659	0.8
289.19467	1.2
291.17056	1.2
307.20535	1.0
309.18533	1.9
319.26614	1.1
332.21359	0.7
347.26224	16.1
365.27194	100.0
366.27640	5.0
368.83868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60959	1.0
55.01892	1.6
55.05519	7.4
57.07069	4.4
65.03946	1.6
67.05506	14.4
69.03434	3.6
69.07070	8.0
69.94711	3.7
69.95129	2.4
73.90925	1.0
76.60345	1.1
79.05495	10.8
81.07056	15.5
83.04984	4.0
83.08624	4.5
85.06543	3.0
86.75617	1.0
91.05479	15.8
93.07049	16.1
95.04973	28.3
95.08604	17.8
95.72471	1.0
97.02882	1.2
97.06524	4.0
97.09596	1.1
100.33783	1.0
105.07040	20.1
107.08595	15.7
109.06523	7.9
109.10159	11.5
115.05415	2.1
117.07017	8.1
119.08593	25.7
121.06528	2.9
121.10158	7.5
123.08064	8.0
123.11710	2.6
124.08830	1.3
125.09620	1.6
128.06235	4.5
129.07025	7.0
130.07784	2.3
131.08571	13.3
131.09502	1.7
133.06519	1.5
133.10135	13.6
135.08069	8.7
135.11710	5.0
137.09633	3.0
141.07019	3.3
142.07768	9.1
143.08575	15.9
144.09351	3.9
145.10123	19.2
147.08040	4.3
147.11694	3.5
148.06140	1.1
149.09625	1.9
151.07558	4.3
152.08316	5.4
153.06993	2.2
155.08560	5.9
155.10675	1.7
156.09358	10.1
157.10133	23.2
158.07278	1.3
158.10910	2.4
159.08072	4.7
159.11699	18.9
161.09671	5.2
161.13322	5.1
162.38551	1.1
163.11169	2.3
165.07010	3.6
165.09106	8.5
166.07745	1.6
167.08578	5.0
168.09326	3.2
169.10112	11.0
170.10887	7.3
171.07997	1.4
171.11681	14.3
172.08818	1.8
172.12512	1.2
173.09630	6.2
173.13290	6.1
175.11221	3.1
175.14862	1.5
177.12703	2.6
179.08586	5.6
179.10721	1.7
180.09378	2.4
181.10146	7.2
182.10916	5.5
183.11685	11.2
184.12410	2.1
185.09737	1.9
185.13249	15.8
187.11171	7.2
187.14761	8.0
188.11969	1.6
189.12715	1.9
192.09178	1.2
193.10126	7.5
194.10899	4.1
194.13031	3.4
195.11694	13.5
196.12392	5.2
197.09532	1.2
197.13301	12.0
198.13901	1.9
199.11206	2.5
199.14836	4.3
201.12761	2.7
203.14430	2.4
205.10194	1.8
205.15909	4.9
206.10786	2.4
207.11725	9.2
207.13637	2.3
208.12436	5.2
209.13248	13.2
210.10394	1.1
210.13948	3.6
211.11279	2.6
211.14804	6.3
213.12769	8.0
218.11018	1.6
219.11818	3.1
220.12503	2.1
221.13307	9.4
222.13957	4.0
223.11143	1.1
223.14815	11.2
225.12802	4.1
225.16325	2.0
227.14348	2.4
229.10251	1.3
229.15836	1.5
232.12506	2.1
233.13301	5.9
234.13895	2.3
235.14787	6.0
235.16888	1.3
236.15547	2.6
237.12682	1.5
237.16335	7.3
238.17181	2.5
239.14192	2.5
239.18034	2.2
241.15932	1.7
242.16597	1.1
243.11748	1.5
245.13203	1.7
247.14818	3.2
248.15494	2.3
249.12808	1.7
249.16412	6.5
251.14285	1.3
251.18030	7.1
255.17400	2.3
256.18127	1.4
259.14856	1.4
263.17914	4.5
263.20313	1.7
264.18726	2.4
265.16006	1.9
265.19568	4.7
267.17416	3.6
269.18979	3.5
273.16269	2.2
273.18869	1.6
274.17148	1.2
277.16013	1.2
279.17398	1.5
279.20853	1.2
281.18997	2.6
282.19839	3.5
287.18222	1.1
289.19421	2.8
291.17487	3.7
299.17868	1.3
307.20673	2.7
309.18512	4.1
314.20316	1.2
329.22720	3.2
347.25870	17.7
348.26114	1.4
365.26675	100.0
366.25275	4.9
366.27045	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	365.2477
Annotation	Quinestrol
Peak:m/z	Relative Intensity
55.05513	9.7
57.07094	3.0
62.57074	1.3
67.05505	17.4
69.03426	4.3
69.07079	8.6
69.36385	5.3
69.36810	8.4
71.04958	1.7
79.05488	10.6
81.07065	14.4
83.04974	3.1
83.08611	3.5
85.06543	2.9
91.05483	18.5
93.07044	21.5
95.04975	28.6
95.08607	20.7
97.06538	5.1
97.10134	2.0
103.05464	1.3
105.07034	29.6
107.04971	2.1
107.08597	17.3
109.06537	6.8
109.10163	8.8
111.08077	2.5
117.07015	9.1
119.07792	2.9
119.08586	36.3
121.06507	3.4
121.10149	8.9
123.08077	4.4
123.11732	1.4
125.09609	2.0
128.06209	6.3
129.07004	6.4
130.07761	3.3
131.08575	17.9
133.06456	1.4
133.10136	14.0
135.08061	9.0
135.11696	5.7
139.11127	2.0
141.07039	3.4
142.07805	14.4
143.08574	26.8
144.09286	5.6
145.06453	1.7
145.10126	20.7
147.08057	5.9
147.11691	5.3
149.09663	1.8
151.07594	2.7
152.45499	1.3
153.06992	2.1
154.07791	2.3
155.08542	9.8
156.09358	12.3
156.38145	1.5
157.10138	43.3
158.07210	1.6
158.10892	4.8
159.08040	4.0
159.11711	19.4
161.09616	7.2
161.13254	7.5
165.07013	3.4
166.07877	1.5
167.08540	6.9
168.09280	2.6
169.10120	14.6
170.10919	10.0
171.11658	17.2
172.08829	2.5
172.12433	1.7
173.09659	6.0
173.13287	7.9
175.11234	3.4
177.12738	1.4
179.08569	6.2
180.09370	3.7
181.10152	9.2
182.10925	5.2
183.11694	17.4
184.12357	2.6
185.09592	2.3
185.13266	43.1
187.11223	8.5
187.14842	11.2
189.12677	2.6
191.14281	1.6
192.09335	2.8
193.10121	9.0
194.10913	5.8
195.11700	17.1
196.12453	7.1
197.13321	10.7
199.11203	4.1
199.14775	3.9
201.12794	1.8
203.05354	2.4
203.14340	1.5
205.15913	4.1
206.10968	4.3
207.11690	16.3
208.12448	5.8
209.13264	13.4
210.14023	2.2
211.11288	3.5
211.14856	7.5
213.12759	6.3
219.11699	5.1
220.12462	2.9
221.13260	12.4
221.15257	2.6
222.14044	4.3
223.14856	12.2
224.15463	2.5
225.12849	3.9
225.16307	2.0
227.14262	2.6
229.15848	2.5
231.11731	1.7
232.12454	2.7
233.13240	6.0
234.14029	2.7
235.14880	6.8
236.15591	2.7
237.16367	9.7
238.17213	2.8
239.14346	3.5
239.18042	2.0
241.15944	3.5
243.11667	2.4
244.12482	2.0
245.13281	2.5
246.14099	1.8
247.14761	4.6
248.15607	4.1
249.16425	8.4
251.14340	2.3
251.17973	5.8
253.15881	2.7
255.17548	2.1
256.18146	3.0
258.14087	1.8
259.14838	1.8
261.16476	3.3
263.14453	1.6
263.17963	7.8
264.18677	3.2
265.15918	5.8
265.19464	4.5
267.17508	4.3
269.18927	2.3
273.16431	3.6
274.17096	1.8
277.15973	3.2
277.19586	3.7
281.18970	3.0
283.20523	2.3
289.19556	4.5
291.17444	5.0
291.20096	2.4
299.17987	2.2
307.20615	2.1
308.12405	1.5
309.18463	3.5
319.24240	2.7
329.22598	4.2
347.23679	30.2
348.24094	2.1
365.24768	100.0
366.24991	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	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.04017	2.3
55.05507	17.3
57.03415	4.3
57.07073	4.6
61.02906	8.2
67.05506	30.6
69.03409	10.5
69.07059	14.7
71.04982	2.8
71.20006	4.0
71.20343	2.3
77.93230	2.7
79.05488	25.7
81.07061	37.9
83.04987	5.5
83.08623	6.8
83.51227	2.4
84.04494	3.1
85.02902	12.6
85.06542	3.2
91.03916	7.9
91.04969	3.2
91.05482	30.9
93.07047	43.2
95.04971	32.8
95.08605	31.3
97.02869	5.8
97.06503	6.8
105.07030	49.3
107.04897	2.8
107.08595	28.4
107.10567	2.2
109.06512	9.7
109.10177	14.6
111.08053	2.8
115.05389	2.7
116.06219	4.1
117.07012	9.9
119.08587	37.1
119.42469	2.5
121.06471	5.1
121.10135	33.3
123.08044	7.0
123.11618	3.1
128.06212	5.6
129.07021	11.7
130.07787	4.3
131.08549	32.0
133.06438	3.7
133.10127	19.1
135.08047	9.3
135.11664	6.6
137.09616	3.3
141.07019	4.7
142.07730	10.2
143.08537	21.8
144.09309	4.1
145.10130	30.8
147.08046	9.5
147.11713	17.7
149.09605	9.4
149.13251	6.5
155.08557	9.5
156.09311	9.0
157.10147	24.1
158.10878	5.9
159.08090	4.4
159.11737	18.2
161.09605	10.2
161.13229	5.8
163.11061	4.2
163.98750	5.3
164.98415	8.3
165.07034	5.0
166.07794	3.1
167.08574	6.3
168.09315	5.2
169.10110	19.9
170.10970	5.4
171.11647	12.5
173.09561	9.0
173.13258	39.5
175.11145	5.6
179.08533	6.8
181.10100	14.4
182.10905	6.2
183.11681	20.0
184.07346	4.3
185.09634	4.2
185.13231	10.4
187.14851	3.6
189.12692	3.3
191.14311	23.6
192.09326	5.0
193.10107	11.0
194.10817	5.4
195.11700	13.4
197.13208	12.1
199.11188	3.1
199.14798	8.5
201.12683	11.9
203.14302	3.1
204.08746	11.6
206.10698	4.1
206.99480	3.1
207.11685	14.7
208.12451	8.9
209.13289	15.2
211.14792	11.2
215.14297	3.4
216.15150	6.2
217.15849	3.3
219.11696	4.6
220.12450	4.8
221.13275	12.9
222.14105	3.0
223.14746	8.1
225.12755	6.1
225.16293	4.7
227.14122	5.2
233.13243	6.6
234.13986	3.2
235.14836	6.1
236.15475	3.2
237.16402	6.4
247.14758	5.9
248.15700	3.7
249.16367	11.4
251.17960	4.0
253.15877	5.6
255.17410	3.6
258.13962	3.8
259.14624	3.0
261.22202	2.7
263.18024	9.7
264.18637	4.9
265.15955	4.6
267.17346	6.2
269.18903	2.8
273.16177	2.7
273.22144	5.6
277.15762	3.4
277.19174	2.6
279.23236	2.8
281.19067	4.1
282.19525	3.3
291.17120	5.4
297.18610	3.0
308.03076	4.7
309.02600	4.4
309.18536	4.7
329.22455	3.0
333.15115	3.4
335.26062	2.7
337.25201	5.2
347.23593	19.1
365.24664	100.0
366.25110	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	10.3
55.01870	19.6
55.05515	30.9
56.96552	9.0
57.03438	29.3
57.07058	7.7
59.05006	23.8
59.09210	2.1
65.03922	4.0
66.13885	2.4
67.05505	100.0
69.03423	9.5
69.07068	32.2
71.04996	6.4
71.46073	5.2
79.05492	79.2
81.03418	19.2
81.07059	98.7
83.04984	24.3
83.08619	17.1
85.06525	8.9
91.05479	90.6
93.06480	4.9
93.07041	83.4
95.04961	22.5
95.08611	38.8
97.02904	3.8
97.06515	10.2
97.10170	2.6
105.07026	74.9
107.04947	17.2
107.08597	57.4
109.02831	3.7
109.06519	13.5
109.09470	3.7
109.10162	60.0
109.10906	3.0
111.04482	4.7
111.08075	10.6
115.11222	3.4
117.06998	12.7
119.08572	26.7
121.06476	16.4
121.10129	18.1
123.08066	7.6
123.11697	10.9
125.09639	3.9
127.07582	3.4
129.07008	6.9
131.08557	28.1
133.06485	16.1
133.10135	92.7
135.08060	17.5
135.11702	15.8
137.09628	5.6
137.92261	2.4
139.07524	4.3
143.08559	10.1
145.10121	13.3
147.08037	6.8
147.11668	9.6
149.09619	18.9
149.13248	6.6
151.11180	61.0
157.10185	4.7
159.08057	7.8
159.11713	5.5
161.09596	13.6
161.13249	6.1
163.11179	7.3
165.12714	4.1
169.12265	14.1
171.11696	8.8
173.09654	4.1
173.15446	3.3
175.11162	7.3
177.09116	7.0
177.12746	7.0
179.14238	3.3
181.10110	3.8
185.13217	5.5
189.12782	4.3
199.14810	2.7
213.12903	3.0
215.12793	5.4
215.76888	2.5
217.12291	2.9
223.13354	2.8
227.17862	4.1
245.16547	2.3
245.18977	13.9
251.12677	4.3
253.14386	70.1
255.17506	4.0
263.20145	11.1
269.14023	6.8
273.18457	50.3
277.21674	3.8
291.19504	39.2
319.60825	3.2
320.10654	4.1
323.04715	19.1
325.04510	4.4
328.11179	3.0
347.22110	10.3
365.10751	3.5
365.23233	87.9
366.23618	2.8
379.04965	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	365.2306
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03951	0.9
55.01879	2.7
55.05513	4.1
56.96566	2.7
57.03432	4.0
61.02938	1.2
61.23716	0.5
65.03938	1.0
67.05508	9.6
69.03424	1.9
69.07070	2.9
69.40679	4.9
71.04985	1.9
73.02899	0.6
79.05497	9.4
81.03415	1.8
81.07057	10.5
83.04957	3.0
83.08616	1.8
85.02902	2.0
85.06542	1.5
87.29058	0.4
91.05486	9.2
93.07046	8.5
95.04965	4.6
95.08618	4.0
97.02912	1.7
97.06539	1.8
97.10172	0.7
98.97598	1.5
99.04492	0.5
99.08109	0.5
105.07040	6.5
107.04978	1.7
107.08605	5.3
109.06505	3.9
109.10159	4.9
110.97625	0.7
111.04465	1.5
111.08102	1.4
113.06023	3.4
116.98635	0.7
117.07005	1.4
119.04906	0.5
119.08601	3.4
121.06485	1.1
121.10194	2.5
123.08083	1.2
123.11718	0.6
127.07520	0.5
128.02383	0.5
128.53801	0.6
129.07004	1.5
131.00198	0.6
131.08565	2.8
133.06517	1.3
133.10132	6.5
134.99602	0.5
135.08054	2.8
135.11720	1.7
140.74185	0.5
143.08557	1.2
145.10138	2.2
146.99681	0.5
147.08064	1.6
147.11681	1.2
149.01241	0.9
149.09637	2.6
151.11177	3.4
157.10129	0.8
159.08063	0.7
159.11694	0.9
161.01187	0.6
161.09653	1.4
163.11194	1.3
165.09137	0.6
167.02327	0.6
171.11728	0.8
173.13269	0.7
175.11316	0.6
177.00748	0.8
177.09169	0.5
177.12791	0.6
181.12257	0.9
187.07722	0.5
189.00655	0.6
189.04114	0.6
189.12807	0.6
191.02365	0.7
207.13875	0.6
223.09213	0.5
245.19128	1.3
249.14644	0.7
253.14464	3.5
255.09058	0.5
255.17441	1.2
263.20132	1.0
267.14380	0.8
273.10013	0.7
273.18509	6.2
277.21771	0.8
285.10175	1.4
291.19580	4.8
293.05228	0.6
347.21783	1.2
347.62296	0.5
365.23029	100.0
366.23404	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.08326	0.8
55.01864	6.9
55.05260	1.7
55.05515	24.5
56.96575	5.0
57.03434	13.3
58.85512	0.8
61.02921	2.6
65.03932	1.8
67.05506	31.4
69.03125	1.1
69.03434	13.0
69.07070	40.9
71.04994	2.3
73.02888	1.0
77.65961	0.8
77.80752	1.0
79.05494	30.4
81.03418	7.4
81.07059	38.4
83.04978	6.4
83.08617	8.5
85.02908	2.6
85.06536	2.0
91.03978	1.5
91.05489	17.9
91.06046	0.7
93.07047	20.5
95.01371	1.1
95.04961	10.0
95.08609	14.5
95.09173	1.7
97.02901	15.3
97.06541	4.1
97.10182	15.5
98.20705	2.0
99.02868	0.8
102.71749	1.0
103.03938	1.0
103.05465	1.0
105.07032	15.5
107.04966	11.5
107.08595	17.4
109.06532	15.0
109.10154	9.5
111.04496	1.2
111.08077	2.8
115.05382	1.1
115.76372	0.9
117.07015	8.7
119.04896	1.1
119.08589	14.3
121.06528	4.5
121.10144	7.2
123.08095	5.1
123.11746	1.6
125.09639	11.9
126.58688	1.1
127.03953	1.2
129.05479	1.5
129.07005	3.6
131.08591	8.6
133.06488	3.2
133.10144	7.8
135.08047	6.3
135.11681	4.1
137.09625	4.7
139.96765	0.9
143.08572	3.2
145.10149	7.4
147.08020	6.2
147.11678	4.0
149.01099	1.2
149.09612	4.0
149.13263	3.1
151.07585	1.0
151.11192	2.6
153.09113	1.2
155.08568	1.4
157.10054	1.5
159.08044	1.5
159.11714	3.7
161.09612	5.7
161.13309	1.1
163.11244	2.2
165.09167	2.9
169.10190	1.2
169.12360	1.3
171.11682	1.9
173.09621	1.2
173.11806	1.7
173.13306	2.1
175.11221	2.0
177.12747	1.5
185.13345	1.6
189.11237	5.4
189.12691	1.3
193.12227	1.4
194.42630	1.0
195.13861	2.2
199.06319	1.2
205.12341	3.0
213.14969	1.3
217.07501	4.1
217.15837	1.1
223.13290	27.5
225.74840	1.1
227.12758	1.3
241.07510	2.6
245.19025	3.1
249.14781	1.4
255.09001	1.6
255.17422	2.7
259.08560	5.7
263.20126	2.8
269.10449	1.8
273.10156	1.5
273.15607	0.8
273.18478	19.7
277.09485	1.5
284.13669	2.9
284.63690	1.7
285.10135	1.3
291.19543	100.0
292.19861	2.1
305.07938	1.3
347.15244	4.1
347.22040	4.8
365.10629	2.2
365.16406	9.4
365.23248	57.3
366.23407	1.6
383.17474	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01873	6.1
55.05520	6.5
56.96561	2.9
57.03437	45.6
57.07072	2.4
61.02921	1.3
65.03948	3.0
65.18077	0.8
67.05505	38.3
69.03428	3.9
69.07066	5.6
71.04986	4.8
71.07681	2.0
71.08038	1.4
73.02905	1.0
75.45298	0.9
79.05496	17.3
80.38570	0.9
81.03413	5.6
81.07057	20.0
83.04980	2.7
83.08637	2.9
85.02911	3.7
85.06546	38.4
91.03938	1.5
91.05482	19.5
92.05855	1.0
93.07045	20.8
95.04973	55.4
95.08604	11.1
97.02888	1.0
97.06523	6.3
97.10175	1.5
99.08096	1.3
99.32488	0.8
99.93311	0.8
103.05470	1.2
105.07037	12.8
107.04960	8.1
107.08586	13.3
109.06519	46.4
109.10158	3.5
111.08075	2.5
113.06007	100.0
115.05447	1.4
117.07017	9.4
119.04983	1.0
119.08595	9.8
121.06493	4.7
121.10170	6.3
123.08060	3.5
123.72440	0.9
125.09613	1.4
128.06221	1.4
129.06995	5.1
131.08565	11.7
133.06528	1.7
133.10150	7.4
135.08057	31.7
135.11668	5.0
137.05989	4.1
137.09572	1.7
140.21512	0.8
143.08582	4.7
144.49023	1.0
145.06464	1.5
145.10123	8.4
147.08032	5.1
147.11668	2.8
149.09650	4.3
149.13286	2.2
151.11172	1.1
155.08556	1.3
157.10081	6.3
159.08012	2.3
159.11671	4.9
161.09628	6.7
163.11179	2.9
165.09207	1.2
171.11717	2.5
173.09619	1.5
173.13295	3.4
175.11192	3.5
177.12749	2.8
183.11719	2.0
185.09529	1.3
185.13268	2.3
187.11154	1.8
189.12793	0.9
195.13776	1.5
199.11345	1.0
199.14859	2.9
201.12622	2.2
203.05743	1.2
217.15868	11.0
219.13803	2.4
227.18115	1.5
227.71999	1.0
229.07373	1.1
231.17563	1.2
233.15340	1.9
245.19008	2.4
255.17461	2.4
261.10175	1.0
267.08926	1.9
273.18506	31.1
283.06232	2.8
285.10144	6.2
286.10559	1.1
291.19547	40.7
292.19748	1.1
301.10043	1.4
307.19025	1.2
347.22104	2.6
365.15250	1.1
365.19409	1.4
365.23276	18.7
366.20322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10834	0.8
53.03946	4.5
55.01873	9.0
55.05512	28.9
56.29218	0.9
57.03438	15.0
59.05001	2.2
65.03935	1.6
67.05506	45.6
69.03430	11.2
69.07068	35.9
70.83932	1.8
70.84300	1.7
71.04987	3.5
73.53110	0.8
79.05496	38.1
81.03423	5.7
81.07059	37.6
83.04987	8.6
83.08619	11.7
84.42030	1.1
85.06551	2.5
86.75027	0.9
91.05484	32.9
93.07046	29.2
94.04189	0.8
95.01310	1.2
95.04977	11.5
95.08611	17.2
97.02892	15.8
97.06527	5.6
97.10175	14.0
104.09513	0.9
105.07029	25.7
107.04961	11.8
107.08596	23.2
109.06538	5.6
109.10159	20.2
111.04408	1.3
111.08088	4.8
113.03387	1.0
115.05473	1.0
117.07034	9.3
119.08587	13.7
121.06531	5.2
121.10149	7.4
123.04472	1.2
123.08061	4.3
123.11739	2.5
125.09628	12.0
127.07557	1.3
128.06216	1.2
129.07005	3.5
131.08574	13.0
133.06487	6.0
133.10133	23.8
135.08060	9.6
135.11688	4.2
137.05992	1.4
137.09604	5.3
139.07501	1.5
139.11201	1.6
141.06940	1.0
143.08492	4.3
143.10588	0.9
145.06468	1.3
145.10135	9.3
147.08076	6.0
147.11697	5.4
149.09601	5.2
149.13324	2.5
151.11194	13.4
153.09167	1.3
157.10124	3.8
159.08089	2.7
159.11685	3.9
161.09648	5.5
161.13313	1.5
163.11205	2.2
165.09109	1.8
165.12788	1.2
169.12270	2.7
171.11719	3.1
173.09567	1.4
175.11191	3.9
177.09157	1.6
177.12758	2.5
179.10736	1.7
189.11230	7.2
189.12723	2.0
199.11160	1.5
203.14290	1.3
205.12321	2.8
215.12776	1.2
219.41498	1.0
223.13293	27.7
225.96355	0.9
227.12794	2.9
227.17963	1.7
227.93364	0.9
235.13284	1.0
245.14160	1.0
245.19040	4.0
249.14767	1.2
253.14345	6.7
255.17534	2.6
257.91458	0.9
263.20050	4.0
269.13809	2.5
273.18503	26.0
291.19547	100.0
292.19992	3.6
309.20645	1.3
347.22269	3.4
365.23239	88.4
366.23511	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
55.01871	11.6
55.05512	26.1
56.96566	9.7
57.03435	19.3
57.97037	1.9
59.50423	1.8
61.02917	5.0
65.03927	4.8
67.05508	69.2
69.03434	11.8
69.06721	2.1
69.07071	25.5
71.04983	5.9
71.58366	1.6
71.58822	2.9
71.95262	2.1
72.54681	1.6
73.02911	3.0
79.05061	3.5
79.05495	51.7
81.03416	14.5
81.07060	70.1
83.04993	14.7
83.08627	13.5
85.02899	9.2
85.06550	6.6
91.03954	2.2
91.05484	63.3
93.06474	4.0
93.07047	53.7
95.04972	20.7
95.08047	2.2
95.08614	26.8
97.02909	11.0
97.06532	8.2
97.10167	6.2
98.97588	5.1
99.04416	2.7
105.07038	47.1
107.04955	20.5
107.08595	42.1
108.08889	2.1
109.06507	11.8
109.09455	3.2
109.10157	35.2
111.04433	6.8
111.08073	8.3
113.05972	2.9
115.05387	1.9
116.98618	5.1
117.07018	13.4
119.04919	2.0
119.08579	21.3
119.09373	2.6
121.06531	10.3
121.10162	15.2
123.04404	3.3
123.08054	8.7
123.11707	6.7
125.09628	4.3
127.07564	2.5
129.06990	6.5
131.00189	4.6
131.08577	21.2
133.06503	11.6
133.09126	3.1
133.10135	59.8
134.99606	3.1
135.08070	17.4
135.11676	10.0
137.06000	5.1
137.09581	6.0
139.07532	2.3
139.11131	2.1
143.08614	4.4
145.06413	2.6
145.10118	13.0
146.99677	2.4
147.08041	8.2
147.11659	5.1
149.01237	7.6
149.09657	15.9
151.11194	29.7
157.10162	3.7
159.08054	5.8
159.11671	5.7
161.09636	11.9
161.13252	4.2
163.07567	3.6
163.11189	6.9
165.09167	1.8
167.02272	5.6
167.07062	1.8
169.12271	5.6
171.11685	4.4
173.09430	2.4
173.11841	2.3
175.11201	6.7
175.14873	2.0
177.00821	2.7
177.09097	8.8
179.10664	3.1
185.13177	3.4
185.25807	1.8
187.11171	2.4
189.11212	2.6
189.12703	4.1
193.12408	2.2
207.13889	2.3
211.02786	1.9
212.10565	2.1
215.12787	6.9
217.12425	2.6
217.16037	2.4
223.13356	8.6
227.17874	2.0
243.09201	2.5
245.18983	11.1
249.21230	1.8
253.14374	26.4
255.17487	4.4
263.20062	11.3
269.13864	3.8
273.18518	43.9
284.12781	31.1
284.62952	8.0
285.10007	5.1
285.13510	15.4
291.19568	43.6
303.17508	2.0
309.20798	2.3
331.15680	3.0
337.14191	2.0
347.22287	8.7
365.15921	21.3
365.23190	100.0
365.32452	3.8
365.65472	7.2
366.16187	6.1
366.23090	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03931	3.1
55.01878	7.1
55.05262	1.7
55.05513	26.7
57.03444	8.7
62.38543	1.1
65.03944	1.3
67.05506	33.2
69.03432	11.3
69.07072	51.5
71.04979	3.0
71.58751	2.4
79.05493	30.0
81.03429	6.3
81.07055	30.7
82.86378	1.3
83.04976	4.7
83.08620	10.9
85.02873	1.4
85.06544	2.7
86.09711	1.2
91.05481	20.0
93.07049	23.4
95.04972	9.6
95.08611	14.8
97.02904	12.1
97.06525	5.1
97.10165	19.0
105.07034	12.9
107.04963	9.6
107.08595	18.6
109.02890	1.6
109.06532	7.9
109.10142	11.5
111.04408	1.3
111.08055	2.7
117.07003	7.3
119.08577	17.7
121.06487	4.8
121.10151	7.2
123.08045	7.6
123.11745	1.5
125.09639	13.2
129.06976	3.6
131.08557	9.1
133.06500	3.6
133.10088	5.7
135.08057	6.7
135.11699	4.9
137.09595	5.3
141.07072	1.4
143.08549	3.9
145.10129	8.2
147.08064	7.0
147.09036	1.5
147.11653	4.4
149.09604	3.7
149.13281	3.3
151.11183	2.1
153.09128	1.2
157.10138	3.8
159.08044	2.6
159.11693	4.9
161.09633	4.7
161.13229	2.6
163.11157	2.7
165.09132	2.9
169.10086	1.8
169.12230	1.7
171.10217	1.2
171.11665	2.3
173.11719	1.2
173.13129	1.4
175.11211	2.9
177.09174	1.5
177.12749	3.3
183.11781	1.4
185.13216	1.4
189.11214	10.4
193.12279	1.4
195.13800	2.9
199.11197	1.7
199.14838	1.4
205.12260	1.5
223.13251	19.7
227.12857	2.7
227.17824	1.8
235.13318	1.7
237.16591	1.2
245.19051	4.0
247.08409	1.5
249.14803	1.7
255.17514	1.9
263.20007	1.9
273.18488	27.7
273.21246	2.5
274.18512	1.4
291.19553	100.0
292.19861	3.6
303.17929	1.9
347.13077	5.1
347.22202	4.4
365.23212	88.8
366.23224	2.5
375.99194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
52.77903	1.6
53.03938	6.4
55.01877	19.7
55.05267	2.7
55.05512	35.3
56.96549	3.8
57.03183	2.5
57.03437	29.8
57.07069	3.2
59.04985	1.7
63.29617	1.8
65.03938	4.0
67.05506	97.2
69.03434	9.9
69.07071	32.8
70.06587	3.6
71.04979	8.0
77.03902	1.7
79.05495	68.6
80.08374	2.0
81.03424	12.1
81.07057	98.4
82.07372	1.7
83.01352	3.0
83.04986	25.5
83.08630	16.2
85.02902	2.0
85.06550	7.1
91.05482	97.4
92.05766	2.1
93.07045	79.1
94.07317	1.9
95.04971	24.4
95.08050	3.1
95.08612	40.6
97.02874	3.6
97.06535	12.7
97.10161	3.5
99.04471	3.8
105.04504	2.0
105.07033	74.4
107.04960	24.6
107.08595	57.5
109.02865	2.3
109.06531	18.2
109.10160	58.5
111.04440	7.9
111.08086	12.6
113.06030	2.9
115.05453	3.8
117.07011	13.3
119.08580	25.4
121.06520	17.6
121.10149	22.3
123.04427	4.4
123.08135	9.5
123.11707	12.7
125.05959	2.4
125.09613	2.9
127.07569	3.6
128.06233	4.9
129.07014	9.8
131.04971	2.2
131.08571	26.7
133.06506	18.0
133.10133	99.3
134.10429	2.8
135.08058	20.6
135.11703	10.9
137.06000	4.3
137.09622	4.5
139.07545	5.0
141.07042	2.6
143.08542	10.2
145.06480	3.2
145.10133	12.4
146.07214	2.1
147.08069	7.3
147.11664	9.5
149.09625	20.0
149.13246	2.6
151.11186	69.9
153.09052	2.3
157.06459	1.9
157.10138	6.6
159.08072	6.2
159.11749	6.4
161.09618	14.3
161.13312	4.8
163.11191	5.3
169.12216	9.4
171.11703	7.4
173.09639	2.1
173.13304	2.5
175.11211	8.2
175.12796	1.5
175.14839	2.6
177.00807	1.9
177.09131	11.8
177.12758	3.2
179.10666	4.9
181.10112	2.2
185.13237	4.8
187.11136	2.5
189.12727	4.4
195.10167	2.7
199.11259	3.2
203.14276	3.5
207.13785	2.5
213.16504	2.5
215.12801	5.7
217.12294	4.0
217.66380	1.8
223.13211	2.6
227.18040	4.4
237.16490	2.6
245.19032	15.3
251.12692	2.1
253.14351	64.7
255.17462	4.6
263.20114	13.1
269.13806	7.2
273.18500	49.4
291.19543	35.1
303.29724	3.8
309.20554	3.0
321.24518	2.9
347.22162	10.2
359.14941	1.9
365.23251	100.0
365.33322	14.9
366.23444	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88015	3.0
55.24633	3.0
57.03428	3.6
68.36289	3.2
69.03418	7.2
70.06590	14.2
71.13454	4.4
71.13779	5.6
84.08143	5.2
85.02887	9.8
92.73583	3.1
97.02882	5.6
98.51022	3.3
98.97581	3.8
101.00867	7.9
119.01932	18.0
131.01877	7.9
131.05566	3.4
133.03447	16.9
145.03439	6.9
147.03191	3.3
147.05058	6.1
149.06598	7.3
155.01910	6.7
161.02960	12.0
161.06610	6.1
164.10764	5.5
165.06183	3.5
171.05078	5.3
173.01645	3.7
173.03014	12.6
173.06636	5.5
185.04272	12.3
185.06593	7.7
187.04482	5.9
189.02495	4.3
189.06113	5.3
190.08591	6.2
191.04028	9.2
197.06546	4.1
203.03915	4.2
203.05292	38.2
203.07651	16.3
215.07625	14.6
219.02000	4.8
220.17575	3.1
221.05064	15.3
245.04913	5.7
259.06656	5.1
279.09265	5.3
305.10849	54.4
323.12082	6.4
324.99539	3.2
329.15057	11.5
347.16003	6.1
365.08560	100.0
365.17175	41.1
366.08734	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27296	2.2
70.76034	0.4
75.57057	0.4
107.31704	0.5
119.01908	0.8
128.31911	0.4
143.01915	0.5
145.03348	0.5
161.02960	1.1
173.02872	1.0
185.02930	1.5
185.04233	19.0
187.04613	0.5
197.02914	0.7
203.05269	45.0
215.03946	0.5
244.08209	0.5
245.05104	4.3
259.85257	0.4
365.10580	100.0
366.10974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75322	0.8
53.03945	2.6
55.01873	6.3
55.05511	26.2
55.05778	1.4
56.96555	3.3
57.03437	8.9
59.05000	1.0
63.45007	0.8
64.66273	0.9
65.03931	1.5
67.05506	33.4
67.39127	0.8
68.87480	0.9
69.03432	12.3
69.07069	34.2
71.04976	2.1
71.32526	1.6
73.61756	1.1
79.05062	1.7
79.05492	23.7
81.03425	4.4
81.07059	22.2
83.04964	5.4
83.08614	8.4
85.02905	1.5
85.06529	1.6
91.05484	15.9
93.07044	17.1
95.04967	9.7
95.08603	12.1
97.02890	14.8
97.06513	4.4
97.10173	16.8
97.25787	0.9
99.04459	0.9
105.07027	14.5
107.04963	7.9
107.08586	14.0
109.02862	0.9
109.06501	3.2
109.10152	10.6
111.08078	3.0
117.06998	6.9
119.05013	1.0
119.08578	13.5
120.16972	0.8
121.06484	3.0
121.10136	6.2
123.08073	5.6
123.11715	1.3
125.09631	12.7
128.80609	1.0
129.07011	3.0
131.08580	6.1
133.06491	2.7
133.10147	4.9
135.08058	6.1
135.11711	3.2
137.05864	1.3
137.09581	5.0
143.08568	4.1
143.10747	1.0
145.06470	1.6
145.10098	5.7
145.41840	0.9
147.08055	4.9
147.11700	3.0
149.01305	1.1
149.09583	1.9
149.13242	2.8
157.10168	3.4
159.11705	3.0
161.09628	3.7
161.13194	1.6
163.11198	2.1
165.09132	2.2
169.10088	0.9
171.10197	0.9
171.11681	2.7
173.13316	1.3
175.11140	3.0
177.12764	2.4
189.11226	7.9
195.11745	1.1
195.13766	2.0
205.12241	1.3
215.08669	0.9
217.06381	1.3
218.07288	7.8
219.07793	1.6
223.13310	29.2
227.12712	4.6
233.09718	1.1
234.06702	3.7
245.03590	1.9
245.05989	27.3
245.19060	1.9
246.06590	8.9
247.07573	1.1
255.17441	1.7
259.07574	3.3
261.09259	2.4
262.06284	17.3
263.06662	1.3
263.20007	1.6
273.05466	82.2
273.18491	22.7
274.05820	10.9
279.10397	1.0
284.12750	4.2
284.62976	1.3
288.74957	0.9
289.04974	11.7
290.05649	4.5
291.19543	98.5
292.19879	3.0
305.08075	84.3
306.08456	10.7
319.09653	3.7
333.07544	15.5
334.07956	1.7
347.22430	2.1
365.23169	100.0
366.23511	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	363.0683
Annotation	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
51.27921	0.7
55.05505	1.6
57.03440	3.5
67.05498	1.8
69.03439	0.7
69.07078	0.8
69.85484	4.4
73.02798	0.7
77.82390	0.6
79.05492	1.9
81.07035	2.0
83.04975	0.8
91.05471	2.7
92.54395	0.6
93.07034	1.4
95.04944	1.1
95.08594	1.1
98.21497	0.8
103.05453	1.2
105.07027	2.1
107.04934	1.1
107.08612	1.0
108.07707	0.8
109.06499	0.9
109.10111	0.7
117.07021	0.7
117.93024	0.7
119.08589	2.0
121.10169	0.7
129.06975	1.3
131.04951	2.3
131.08585	1.2
133.10101	1.0
135.08026	1.1
137.05978	7.8
144.58278	0.7
145.06456	1.1
145.10100	1.0
155.08542	1.9
157.10150	0.8
159.08040	1.4
161.05975	2.6
163.07573	4.2
169.10237	0.9
172.05226	0.7
175.07526	0.8
183.08012	1.8
187.07512	6.5
189.09093	1.9
191.01169	0.7
202.07753	3.8
203.08537	0.7
203.91391	0.6
213.09134	0.7
215.10713	2.9
219.08096	0.7
224.02898	0.7
231.08087	1.7
235.05772	1.5
239.10612	1.1
243.17554	0.7
245.04147	1.5
245.09657	2.9
247.07562	6.6
255.08008	1.6
256.08823	0.9
257.05991	5.3
258.06784	13.8
259.07571	9.9
261.09317	0.8
263.05270	27.6
264.05606	1.9
271.07544	1.3
271.16898	1.8
273.03741	5.6
273.09079	6.2
274.04440	1.5
284.08392	1.7
286.06213	2.7
287.06989	3.0
289.06851	3.8
289.17963	2.2
290.09238	0.7
291.04749	74.3
292.05127	4.0
300.06058	1.1
301.08737	1.3
303.04773	1.7
317.06342	13.6
318.06735	1.0
319.04248	16.5
320.04532	1.0
331.13358	1.0
345.05804	5.7
363.06857	100.0
363.15958	10.4
363.21606	3.9
364.07104	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	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	19.7
56.96578	7.0
57.07070	5.5
66.88105	2.5
67.05505	66.1
69.03425	3.8
69.07071	8.9
70.06593	11.8
70.07394	2.5
71.04993	100.0
71.08617	7.7
71.58591	4.7
72.08143	3.8
74.95363	2.6
77.89861	3.1
79.05500	14.9
81.07056	55.0
83.04977	2.5
83.08620	13.8
84.12517	2.4
85.06531	3.4
86.00716	2.8
86.80698	2.5
88.07637	14.3
91.05498	12.2
93.07048	12.5
95.04987	3.1
95.08609	11.9
95.83109	2.5
97.06554	6.9
97.10176	13.3
99.08106	8.0
102.09151	3.8
105.07026	8.8
107.08600	8.6
109.10154	39.9
114.09181	4.9
117.07002	6.7
119.08604	9.1
121.10181	4.3
123.11729	21.0
125.09690	12.8
130.55307	2.8
131.08614	5.6
131.27052	3.1
132.10204	23.5
133.10146	6.7
135.11710	6.6
136.16699	2.8
137.05969	3.5
137.09642	3.2
138.01016	2.9
145.10133	6.8
147.11655	3.2
149.09595	2.8
149.13287	3.8
151.11229	3.4
155.10757	7.5
155.14301	86.6
159.11717	5.8
161.13251	4.9
163.11266	4.3
173.11749	83.8
174.12175	3.5
176.12865	3.9
179.14355	4.6
189.11194	20.2
190.14333	4.4
194.13927	4.4
227.16498	8.2
256.26370	8.5
274.27502	3.8
277.21628	19.4
295.22684	5.6
307.99658	2.3
344.07437	2.9
344.18756	5.8
362.19772	8.0
362.32693	99.7
363.06866	4.0
363.21460	5.9
363.25430	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	361.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69950	0.2
59.45342	0.2
67.79301	0.2
69.03419	0.3
69.68861	0.8
69.69300	0.7
70.96645	0.2
75.95078	0.2
81.03432	0.2
85.02893	0.3
93.07076	0.2
96.16144	0.2
98.20781	0.2
107.08606	0.3
109.02891	0.3
111.04524	0.2
140.01799	0.2
149.02354	0.6
150.02693	0.8
163.03934	0.4
164.04245	0.3
181.04984	0.4
182.05367	0.3
199.09474	0.9
255.09315	0.2
280.14725	0.2
300.15958	0.5
301.12595	2.5
318.17184	0.5
361.14691	100.0
362.15112	5.3
362.19662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01855	2.6
55.05270	1.1
55.05510	17.7
57.03426	3.5
57.07068	6.2
59.05003	1.5
67.05499	16.8
69.03429	3.4
69.07066	38.0
69.47984	6.1
69.48406	3.8
71.04980	6.4
71.08624	2.0
79.05491	13.3
81.03436	1.8
81.07057	67.2
83.04978	9.4
83.08634	11.6
85.06533	5.1
91.05479	12.6
93.07042	40.1
94.07373	1.5
95.04980	13.8
95.08603	42.4
97.06531	23.4
97.10159	5.2
99.08100	3.7
105.07044	12.0
107.08599	22.7
109.02890	1.8
109.06513	4.4
109.09460	1.9
109.10157	30.2
110.10471	1.4
111.08083	7.6
111.11726	6.2
113.06023	1.4
113.09582	1.6
117.06996	2.3
119.04912	2.0
119.08588	10.3
121.06479	2.8
121.10143	21.5
123.08089	3.2
123.11706	21.9
125.09644	2.7
127.07542	1.5
127.11214	2.7
129.06995	2.1
131.08553	4.1
133.06517	2.2
133.10114	5.7
135.11693	18.8
135.55176	1.2
137.05952	5.3
137.13239	12.9
139.11186	2.8
143.08548	1.8
145.06511	2.5
145.10106	6.2
147.04422	4.0
147.11700	9.9
149.06004	4.7
149.09535	1.3
149.13258	10.7
151.11192	2.2
153.12735	6.5
157.10118	1.7
159.08073	4.4
159.11685	4.9
161.05980	4.6
161.13310	4.1
163.07602	1.5
163.11127	3.3
163.14859	2.4
165.12779	2.3
167.14314	2.0
171.08040	1.9
173.06017	1.4
173.09576	1.4
173.13240	2.1
175.07552	2.9
175.14862	1.4
176.07076	14.8
176.10693	18.8
177.07742	1.6
177.09120	3.1
177.11459	2.7
177.16411	2.8
179.10696	3.6
181.12210	1.9
185.09686	2.4
187.07559	3.5
187.14738	1.7
189.09123	4.7
189.16371	2.5
199.11357	1.5
201.09279	1.5
203.10648	1.7
204.10217	10.4
205.10991	15.0
213.09169	2.2
214.18011	7.6
215.10814	2.0
215.18040	2.5
217.12273	1.3
247.11742	1.1
247.97690	1.5
257.15497	1.8
271.24289	3.0
273.14627	1.7
277.25195	2.7
284.16443	4.3
289.25244	6.3
295.26312	5.2
299.16449	1.5
300.16031	3.2
302.17511	55.7
304.70654	1.3
307.26300	8.6
325.27393	3.3
326.17740	2.1
327.15927	2.8
344.18539	14.2
345.16827	3.2
362.19598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.3
56.96565	5.4
57.03430	3.1
61.02909	3.6
69.03428	8.6
70.06596	14.0
70.10189	10.2
73.02900	2.8
81.03420	3.3
84.04499	4.2
84.08148	4.9
85.02901	20.5
86.03239	6.8
86.09696	13.6
92.74043	2.6
97.02891	10.4
98.21386	3.5
98.97605	4.1
108.37181	2.4
111.04421	2.9
119.08600	2.5
120.58147	2.4
125.07139	4.4
127.03922	15.1
128.04205	5.7
136.07527	3.6
145.04921	8.6
146.05286	4.6
153.10272	8.2
165.06960	7.1
169.06435	2.8
178.07736	2.7
179.08531	15.0
181.09819	8.9
183.08099	24.6
191.08549	3.5
193.06392	4.3
195.08124	3.1
197.05977	3.7
199.10780	26.6
200.04404	3.1
200.09152	2.8
201.00729	2.6
207.08054	58.0
207.10036	3.6
209.09772	4.3
210.09158	6.1
211.07556	18.6
217.06665	4.6
219.01909	2.5
221.05975	11.8
235.07561	100.0
236.08026	3.8
237.02783	2.9
237.09103	9.5
238.08722	3.1
239.07030	67.1
242.83371	2.6
252.10210	82.5
263.07034	10.4
280.09778	11.9
281.08087	49.5
284.09183	5.2
297.12344	42.4
298.10727	75.8
307.74118	2.5
315.13397	16.7
317.12061	5.5
326.10275	16.3
330.52722	3.2
335.46292	2.6
343.12888	81.9
344.11221	7.8
361.10742	9.8
361.14481	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01865	7.1
55.05511	39.2
56.49973	3.0
57.03439	5.2
59.05007	4.6
59.21604	2.9
67.05506	69.6
69.03438	5.0
69.07065	34.2
71.04993	100.0
71.58706	3.9
71.59173	3.8
73.06544	7.5
79.05497	69.3
80.70364	3.4
81.03407	3.7
81.07061	54.1
83.04998	7.2
83.08621	22.3
85.02908	5.6
85.06570	4.3
91.05487	32.8
93.07049	62.7
95.04959	8.6
95.08604	33.1
97.06526	19.9
97.10172	29.7
105.07027	24.5
107.04958	7.9
107.08601	58.1
109.02757	3.9
109.06504	6.9
109.10165	47.4
109.21777	3.1
111.08089	4.6
117.07011	8.6
119.04884	4.0
119.08578	17.1
121.06559	4.5
121.10139	55.7
122.29350	3.0
123.08060	5.0
123.11726	7.6
125.09615	18.8
127.03869	3.6
131.08565	9.0
133.10147	19.3
135.04431	3.3
135.08066	4.4
135.11691	15.3
137.05977	8.7
137.09637	5.3
143.08572	6.3
144.59807	3.6
145.10114	8.4
147.11716	9.0
149.09598	10.6
149.13274	6.5
151.11124	4.4
153.12758	43.2
155.10664	9.0
157.10138	5.2
159.11703	11.0
160.97380	6.1
161.13249	4.9
163.03885	4.0
163.11189	4.4
173.11755	83.7
173.13168	4.5
177.12785	8.5
179.14259	3.6
180.07774	5.9
183.91811	2.9
189.11235	27.1
192.07843	9.6
193.08614	10.8
195.13811	14.4
209.15393	3.5
213.14909	4.0
227.16414	54.4
229.19547	3.7
239.17867	3.7
257.19095	8.9
261.19269	3.2
271.13336	4.0
275.20071	71.8
289.14267	6.5
293.21164	6.1
307.22522	15.8
342.16888	6.3
360.18002	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	361.1107
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
50.35738	1.5
56.96531	1.6
63.61584	1.2
68.42185	1.6
68.58946	1.4
69.03427	2.5
69.97937	8.2
71.00356	1.4
76.46875	1.5
81.03395	1.6
85.02898	8.2
86.03227	2.0
86.09718	3.3
87.77570	1.6
91.05434	1.6
95.04949	1.6
95.51632	1.5
98.21410	1.8
99.04476	1.9
109.02890	2.2
116.98641	1.7
121.06550	1.5
127.03919	3.5
128.04231	2.1
250.08417	1.4
275.11044	6.0
293.10788	2.9
315.03955	1.4
317.08676	3.0
317.12094	35.5
361.11029	100.0
362.11581	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.4
57.03436	10.1
61.02922	3.6
69.03428	31.7
70.90634	3.3
71.01358	1.4
71.04987	1.9
73.02911	6.3
81.03411	3.1
85.02905	100.0
86.03155	1.2
87.04471	2.5
88.05509	1.3
97.02891	37.9
99.04452	6.5
101.02378	7.8
109.02874	4.5
115.03919	4.2
115.60449	1.2
127.03914	82.2
137.05748	1.0
145.04955	73.0
157.90413	1.3
163.06021	23.3
180.08719	4.4
198.09860	2.0
219.55472	1.3
259.08090	1.2
289.09131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
53.05613	3.0
55.01873	10.4
55.05524	2.4
56.04781	4.4
56.05038	59.1
57.03434	13.3
61.02920	6.7
62.03257	3.1
62.06080	7.6
66.73608	2.4
69.03427	39.8
70.06587	37.0
70.77653	7.8
71.04955	5.1
72.08150	4.4
73.02906	12.0
80.05064	3.2
80.95829	2.6
81.03413	9.8
84.04498	4.5
84.08141	16.1
85.02905	100.0
86.09709	8.0
88.03960	3.2
92.05003	9.6
94.06566	5.4
96.04520	5.8
97.02892	40.4
99.04449	14.5
101.02355	6.2
102.05534	4.0
109.02899	8.4
110.06035	14.4
111.06387	5.0
115.03931	5.2
116.07101	6.2
117.05516	3.2
119.01923	7.9
127.03912	65.5
129.10245	5.7
130.08665	3.9
134.06024	9.5
135.05028	3.6
137.05922	5.9
138.05525	4.0
139.05000	20.8
139.84717	3.1
143.01884	3.2
145.03496	5.8
145.04967	66.8
147.11267	4.5
152.07028	15.4
161.02951	5.2
162.05527	7.4
163.04730	4.7
163.05965	15.3
165.06528	3.1
169.04671	4.2
169.06119	9.1
177.04094	3.9
178.04967	4.0
180.06564	12.9
180.08705	3.7
185.09209	5.5
196.09712	3.3
198.07584	22.2
198.09259	3.3
198.11327	5.5
213.08688	2.7
221.04976	3.1
223.07132	21.3
235.07501	3.0
245.05037	7.6
245.11363	4.0
253.08194	5.9
259.09293	2.8
270.10913	21.4
277.08218	3.7
280.07977	4.0
294.10840	6.8
307.09207	5.5
321.10138	3.5
324.11731	8.9
342.12338	5.1
343.11517	4.2
353.18030	3.2
360.12933	48.8
361.21021	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96536	0.5
61.95359	0.4
67.05452	0.5
68.80397	0.3
69.03410	0.5
69.07004	0.4
70.99314	0.9
70.99669	0.6
81.06995	0.7
85.02890	0.7
91.05452	0.5
97.06492	0.9
102.95447	0.3
103.23741	0.3
105.06989	0.3
106.80897	0.3
109.02831	0.6
119.04925	0.4
122.42294	0.3
127.03831	0.6
137.05968	0.5
147.04350	0.7
150.05522	0.4
171.03896	0.4
185.38557	0.4
193.08566	0.4
207.11237	0.4
231.07877	0.4
237.02492	2.6
238.03154	3.2
239.08597	0.5
241.08952	0.6
255.08055	0.6
265.08878	1.3
266.09637	6.7
267.10385	0.4
269.08392	0.5
270.09146	0.9
280.07663	0.7
281.08362	0.9
282.09119	1.2
283.06387	0.9
283.09760	0.5
284.05255	0.5
284.10715	2.8
287.07361	2.4
291.04745	1.0
293.08496	0.8
294.09091	6.7
296.05069	1.9
297.05981	0.7
298.08640	1.3
301.03253	0.5
309.07852	9.4
310.08609	13.5
311.09079	0.8
312.04950	8.4
312.10184	85.8
313.05499	2.4
313.10510	3.7
314.06192	5.2
315.07178	10.9
325.05740	0.7
326.06015	3.6
327.08749	1.3
330.05817	4.0
331.06607	12.0
332.07022	0.8
341.05109	1.4
342.05841	84.5
343.06616	100.0
344.06921	3.9
360.06897	53.7
360.18185	1.0
361.07089	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	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07066	1.2
55.01867	3.2
55.05266	1.8
55.05514	20.6
56.96558	1.4
57.03432	2.1
57.07081	6.2
59.05002	2.1
65.03931	1.7
67.05507	26.6
69.03424	6.8
69.07070	43.2
70.81389	2.7
70.81733	1.8
71.04975	3.9
71.08624	2.0
73.02909	1.5
79.05494	13.0
81.03413	5.1
81.07056	100.0
83.04970	4.4
83.08629	13.0
85.02894	3.6
85.06550	11.3
86.09692	2.7
91.05470	8.0
93.07045	40.8
95.04942	3.7
95.08608	69.7
97.06540	12.2
97.10171	20.8
97.59786	1.2
98.97574	2.2
99.04448	2.2
99.08100	5.4
104.10751	2.2
105.07035	10.9
107.04925	2.0
107.08598	46.3
109.02879	4.7
109.06521	4.1
109.10154	28.1
111.04447	1.5
111.08083	20.3
111.11722	11.1
111.23448	1.1
119.08597	10.1
121.10151	26.9
123.08100	2.1
123.11710	57.8
125.09627	4.5
127.03922	4.6
131.08585	1.6
133.10123	6.7
135.08070	1.9
135.11699	16.7
137.05956	2.9
137.09703	1.5
137.13268	19.7
139.11171	15.4
141.12740	3.6
145.10106	3.1
147.11679	8.3
149.09660	1.4
149.13263	42.6
151.11153	4.2
153.12766	7.6
155.14297	5.7
157.10172	3.0
157.12248	14.2
159.11742	4.1
161.09679	1.6
161.13324	3.7
163.14844	7.5
165.12738	2.3
167.07001	1.9
167.14384	1.7
169.12234	3.3
171.13762	2.4
173.13261	1.8
175.14874	2.6
177.16411	2.5
183.13789	2.7
184.07291	3.5
187.13312	19.3
187.14906	1.9
189.16478	2.1
198.11292	4.3
201.16408	1.5
203.12811	4.9
209.15422	1.4
213.16286	2.6
215.18086	1.5
231.04796	1.7
237.18448	3.6
249.18492	3.1
251.20078	1.8
258.11429	1.4
269.22601	2.0
275.24121	1.7
277.25201	5.4
287.23657	3.6
293.24802	12.5
305.24768	42.1
306.24982	1.5
323.25839	16.5
360.16785	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0689
Annotation	Taveuniamide I
Peak:m/z	Relative Intensity
55.05499	0.8
61.39595	0.7
69.07059	1.2
71.58760	1.1
79.05488	1.0
80.44432	0.7
81.07050	0.9
85.02888	1.4
91.05477	1.2
95.04977	1.1
97.06546	1.3
107.08540	1.0
114.28630	0.7
127.03958	0.9
137.05989	1.5
143.79730	0.8
151.85078	0.8
192.07863	0.9
193.08611	1.9
286.59262	0.9
289.14383	3.2
302.05814	1.2
312.04770	1.2
314.06378	1.0
324.04788	3.1
325.05566	11.5
340.04254	26.3
341.05057	84.0
342.05777	21.3
342.17065	1.5
343.06210	1.2
360.06888	100.0
360.17764	4.2
361.07309	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	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.03934	0.9
55.01864	1.1
55.05503	1.0
55.58712	0.4
57.03432	2.1
57.99997	0.3
58.20668	0.4
59.04992	1.0
61.02925	3.2
67.05496	1.5
69.03429	8.0
69.07056	1.0
70.06582	1.2
71.04977	1.2
71.58820	0.5
71.59271	0.5
73.02913	1.0
74.09083	0.3
79.05485	1.6
81.03412	3.3
81.07047	1.6
83.04980	0.9
84.04517	1.0
85.02907	30.0
86.03239	0.4
86.09700	3.6
87.04465	0.8
91.03941	1.0
91.05463	3.4
93.07047	6.3
95.04961	2.8
95.08579	0.9
97.02892	8.0
97.06529	0.5
99.04440	1.9
103.03953	0.4
105.07021	5.9
106.07330	0.4
107.04961	0.9
107.08597	19.4
108.04506	0.3
108.08920	0.5
108.97474	0.4
109.02874	2.9
109.06503	1.7
109.10185	2.5
111.05581	0.4
115.03878	0.5
116.07113	0.4
119.04954	0.7
119.08591	3.1
120.08086	1.1
121.06518	1.8
121.10167	0.6
123.04406	1.0
123.08035	0.5
123.11736	0.6
123.80874	0.4
127.03923	6.1
127.58929	0.4
131.08575	0.8
133.06471	0.6
133.10136	21.2
134.10481	0.8
135.04472	0.4
135.08075	0.6
135.11696	19.9
137.05988	2.0
137.09598	1.6
143.08557	0.6
144.08075	0.4
145.04955	4.4
147.04419	0.4
151.03990	0.6
151.10152	0.4
151.11147	2.4
161.09619	10.6
175.07491	0.4
179.10675	35.1
180.10971	0.5
197.11732	100.0
198.12047	3.0
200.14029	0.5
219.66893	0.4
228.13374	0.7
237.09062	0.3
241.05032	0.4
265.08566	0.8
271.06189	0.5
309.08658	0.3
313.07095	0.4
331.12662	0.4
359.11945	1.6
359.16907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52589	2.7
65.00050	3.0
69.66640	7.6
69.67045	13.9
71.26999	2.9
78.04708	2.6
79.05489	11.3
81.07046	7.7
83.77152	3.0
91.05462	8.7
93.07031	6.0
95.08604	7.8
103.05458	3.4
105.07011	8.6
107.04963	19.1
112.83713	2.8
115.05444	17.0
117.07035	26.0
119.08548	4.7
121.10158	4.5
123.04405	6.5
124.05196	5.9
133.10138	6.3
137.05959	5.6
144.05653	2.8
145.06477	42.2
149.34979	3.2
155.06078	5.5
162.86739	3.4
167.07045	100.0
173.05971	58.4
179.06999	3.7
191.06964	3.1
203.34641	2.8
205.08597	26.5
207.08008	5.4
258.06808	6.7
263.05270	8.5
267.09982	5.2
291.04776	29.5
307.15891	3.1
317.05328	3.6
318.05829	14.5
327.12549	4.1
359.14935	6.4
359.21884	3.9
360.06882	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.81140	0.9
53.76214	1.0
54.68941	1.0
57.95237	1.0
61.02897	2.4
67.05486	2.2
68.85909	0.9
69.03407	3.8
69.07050	1.8
70.29110	3.1
70.29522	1.8
73.02921	1.5
79.05482	2.4
81.03397	2.1
81.07036	1.7
84.08148	1.4
85.02894	11.8
86.09220	1.1
86.09708	14.6
91.05476	3.6
93.07040	5.6
93.40953	0.9
95.08591	1.4
96.93284	1.0
97.02869	2.9
97.06521	1.5
99.04475	1.2
105.07040	5.3
107.04945	1.4
107.08588	28.1
109.02882	2.2
109.06500	1.2
109.10143	1.7
119.08565	3.7
121.06524	1.5
121.10117	4.9
121.15273	1.1
123.11707	1.7
127.03882	1.3
133.06403	1.1
133.10124	15.5
135.11708	1.8
137.05989	1.6
137.09541	1.0
139.07559	1.4
143.11787	2.8
145.04971	1.2
149.09589	2.8
151.07480	1.0
151.11174	6.4
161.09622	4.6
161.13264	1.1
167.10684	14.3
179.10672	15.8
184.07385	1.1
189.12306	3.1
197.11726	100.0
198.12039	3.5
201.12262	1.4
232.21298	0.9
241.04910	1.2
242.51260	1.0
271.06015	4.4
282.14404	1.0
298.53925	1.0
305.39374	1.0
313.07028	2.7
341.11444	1.1
359.07648	1.3
359.12659	2.4
359.16547	2.1
360.07120	1.8
360.18024	1.2
377.01761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.9
55.05497	13.2
56.75348	4.2
56.96554	5.3
57.03430	11.2
67.05506	40.5
69.07069	53.3
69.62831	20.1
69.63261	12.6
71.05006	24.4
72.38814	5.1
73.02930	5.5
73.06630	5.1
79.05493	57.5
81.03416	34.0
81.07059	61.0
83.04967	15.0
83.08603	13.8
83.47111	4.3
85.06522	6.8
91.05482	40.7
93.07058	40.4
93.21970	4.3
95.04977	26.4
95.08601	25.4
97.06533	100.0
99.08134	4.9
105.07037	28.3
105.19767	4.3
107.04972	11.3
107.08607	23.0
109.06503	20.5
109.10166	15.7
111.08102	7.8
115.07572	38.8
117.07000	8.9
119.08584	17.7
121.06493	7.0
121.10146	16.0
123.08083	12.3
125.09605	8.5
129.07002	9.7
131.08549	17.8
133.10088	13.5
135.08047	9.9
135.11661	9.5
139.58075	4.4
145.10127	19.2
147.08104	5.5
147.11626	9.2
149.09631	8.4
149.13237	10.3
157.10124	16.1
159.11667	21.4
161.09596	9.1
163.11174	5.2
171.11687	4.4
175.11156	6.7
193.12248	36.1
195.13777	5.8
225.14882	8.1
273.18497	9.2
288.12186	6.1
305.20932	9.5
358.20401	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	358.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45783	1.1
69.03416	1.5
70.06570	2.4
70.11090	6.0
77.13647	1.3
84.08134	3.6
85.02880	1.8
92.04987	4.7
98.20833	1.4
110.06057	7.4
110.74313	1.3
123.04372	2.2
136.81760	1.3
152.07089	3.0
178.08630	1.8
178.18910	1.2
196.03708	74.8
196.09752	4.4
340.10199	1.3
358.08945	100.0
358.24969	2.6
359.08643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01871	3.3
57.03436	3.3
68.05035	2.5
69.03418	6.0
70.06574	5.9
71.01342	1.5
71.58006	2.3
73.02908	3.3
74.67744	1.5
76.03947	1.5
77.03935	2.1
79.05492	2.8
80.05001	2.2
81.03411	3.4
81.07053	2.2
84.04489	3.3
84.08148	8.4
85.02913	15.4
85.06510	1.8
86.09712	2.1
87.04444	2.8
92.04997	6.9
95.04951	3.0
96.04498	5.9
97.02909	10.3
99.04462	3.1
101.02382	2.1
106.06527	4.5
107.04953	25.2
108.08088	2.1
109.02875	4.6
110.02400	8.0
110.06043	14.0
110.07174	2.2
111.04443	3.3
118.06543	2.5
119.01917	3.8
119.87106	1.6
121.06484	2.2
122.02383	4.9
122.06016	1.7
123.04427	68.9
123.05336	3.8
123.06829	19.0
124.03941	1.9
124.07568	1.8
127.03908	7.2
128.03433	3.3
129.01871	4.3
130.08623	2.4
131.01889	1.7
131.04950	2.9
132.04469	2.1
133.05087	1.8
134.05995	6.8
135.04407	22.5
136.07674	2.4
137.02280	1.7
137.05986	5.8
138.01897	5.2
140.03467	2.2
142.06360	1.8
143.03448	2.3
145.04944	3.0
146.06050	3.6
147.04407	6.3
148.07576	3.6
149.05952	2.0
150.01891	11.5
150.05467	9.6
150.09132	2.5
151.06291	34.7
151.07448	3.5
152.03471	2.4
152.07069	77.5
154.05011	7.5
155.01836	1.7
160.07616	3.2
161.04535	2.2
162.05536	8.4
163.03958	2.7
164.07089	5.3
166.05049	2.1
166.08627	8.2
168.02975	2.7
170.04472	15.3
170.05873	2.5
174.05507	4.8
174.98570	1.9
175.06308	2.2
178.04906	4.4
178.08614	12.0
179.08153	3.1
182.04459	9.4
188.05530	2.5
188.07079	2.8
189.02470	2.2
190.05045	7.7
192.06596	4.7
196.06026	3.2
196.09692	100.0
197.09125	3.7
200.05505	9.6
202.05000	9.4
202.07034	4.5
204.06665	2.0
212.16992	1.7
214.04980	5.1
216.06699	4.0
218.04639	2.6
218.06616	13.9
220.06093	4.4
226.98181	2.8
227.98180	3.7
234.07539	3.3
242.04568	3.9
244.06081	4.7
245.05116	3.0
248.05553	2.8
250.06905	2.2
252.08693	1.8
256.03293	2.7
262.07065	3.4
262.26190	1.6
274.07040	3.7
280.08099	6.2
286.99969	1.9
300.20245	1.7
315.99719	2.5
316.05087	2.2
322.09262	11.6
340.10260	28.4
358.10999	16.6
358.14923	26.7
358.25177	3.3
359.12985	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	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.27658	1.0
55.05268	1.8
55.05513	26.0
56.05844	1.3
57.03450	4.5
57.07079	13.6
65.74193	0.9
67.05501	20.8
69.07066	37.3
69.89350	4.0
70.06599	7.7
70.07404	1.1
71.04976	1.4
71.06911	2.4
71.08634	8.9
75.93594	0.9
79.05487	14.2
79.58724	0.9
81.07056	29.2
83.04990	1.3
83.08617	27.0
85.10169	4.1
88.07635	12.1
89.07955	1.8
91.05463	1.7
93.07043	19.4
95.08604	28.7
97.06525	7.2
97.10170	14.5
99.08105	1.2
102.09170	2.9
103.03891	1.1
105.07015	1.1
106.08666	6.4
107.08559	13.8
109.10146	15.1
111.08068	4.4
111.11713	5.7
121.10137	25.5
123.11686	5.6
125.09612	2.0
125.13292	1.8
135.11697	21.2
137.13240	2.1
139.11159	2.1
143.14313	1.1
149.13232	8.1
151.14821	3.3
153.12700	1.7
157.12117	0.9
159.99292	0.9
163.14796	3.3
165.16341	1.8
177.16345	1.6
181.15874	1.1
191.17921	2.2
195.17337	0.9
198.63599	1.0
199.16988	1.4
209.18922	1.2
247.24207	26.7
265.25269	30.1
283.26285	3.3
313.33051	1.5
339.28983	24.5
339.34338	7.6
357.26596	5.7
357.35547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80703	7.0
55.05513	45.6
57.07074	25.3
67.05502	59.3
69.07069	73.2
70.06603	6.7
71.08612	16.2
71.57461	12.2
79.05502	37.4
81.07060	67.1
83.08614	56.9
85.10171	8.0
88.07634	9.6
88.98575	7.6
91.73792	6.1
93.07050	43.7
95.08604	57.5
97.06522	17.8
97.10181	28.1
107.08599	28.0
109.10128	31.9
111.08097	6.7
111.11720	12.4
121.10146	67.1
135.11716	35.4
137.13147	8.8
141.72397	6.7
149.13249	12.9
163.14828	13.9
165.09396	6.3
165.16483	8.1
247.24213	51.1
265.25238	59.8
339.28873	48.6
357.35547	100.0
358.36713	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.0
55.01868	10.1
55.05511	43.2
56.96560	16.9
57.07066	9.6
57.36280	6.2
61.02918	11.5
61.15255	7.4
62.99174	6.5
67.05510	34.7
69.03429	27.4
69.07072	63.2
70.06601	7.6
71.04965	12.3
71.59788	7.5
79.05485	22.3
81.03422	36.7
81.07054	100.0
83.04963	15.3
83.08616	12.4
84.08143	10.3
85.02895	17.4
85.06553	21.5
86.09685	13.3
91.05442	31.8
93.07046	42.1
95.04969	15.4
95.08605	57.8
97.02894	17.8
97.06510	36.8
97.10143	38.7
99.08076	11.5
103.05457	7.3
105.07008	41.9
107.04937	11.3
107.08584	40.9
109.02894	49.0
109.06441	7.1
109.10167	40.3
111.08071	20.6
111.11691	18.0
119.04947	17.0
119.08585	31.1
121.02863	13.7
121.10143	30.8
122.05996	9.3
123.04440	8.4
123.07973	6.4
123.11705	65.6
125.09628	11.0
127.03922	24.4
131.04977	8.6
131.08588	15.3
133.10081	8.8
135.11707	26.2
137.05974	36.2
137.09668	6.6
137.13235	14.2
139.11179	36.9
142.07700	7.1
144.04430	10.0
145.02843	17.1
145.11407	6.6
147.04422	54.2
147.11668	23.6
148.04713	10.6
149.09601	8.3
149.13278	8.3
151.03860	10.0
153.12753	19.7
155.08597	10.3
157.12248	36.3
161.05992	9.7
161.13213	14.3
163.03859	13.9
163.07579	10.1
163.11215	10.0
165.12750	16.4
167.07022	9.4
172.03946	39.8
177.05428	13.6
184.07240	9.3
185.09694	10.3
187.13318	7.2
203.12856	8.3
204.06580	73.0
224.43497	8.0
275.23666	11.1
289.08661	10.0
291.23224	14.0
303.23264	38.5
321.24225	68.0
330.08887	10.8
339.12347	13.6
339.25406	14.7
340.15665	7.2
358.16425	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	357.2637
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03940	4.3
55.01866	5.6
55.05521	29.2
56.96560	4.0
57.03428	5.5
57.07072	8.0
59.04985	3.5
66.30497	2.4
67.05221	3.0
67.05515	29.8
69.03431	19.1
69.06725	4.7
69.07070	62.0
71.04984	5.6
71.59399	5.4
73.02921	3.2
79.05492	16.9
81.03428	17.7
81.06578	4.9
81.07059	100.0
82.07373	3.4
83.04980	10.4
83.08626	7.5
84.08130	11.0
84.58181	2.8
85.02909	7.7
85.06541	18.0
86.09698	5.7
91.05466	13.8
93.07041	31.3
95.04995	17.3
95.08610	67.1
97.02860	5.6
97.06537	18.6
97.10175	52.7
99.04448	4.0
99.08101	9.9
101.05966	4.5
105.07023	17.7
107.03876	2.8
107.04930	5.4
107.08596	32.8
109.02894	23.3
109.06527	9.8
109.10155	23.7
111.04405	3.7
111.08084	19.1
111.11718	17.2
115.11193	3.7
116.98636	2.6
117.03420	2.5
117.07020	3.2
118.50666	2.4
119.04969	7.4
119.08588	18.9
121.06519	2.6
121.10146	31.4
123.04431	5.7
123.08025	6.0
123.11723	67.4
125.09636	6.8
127.03937	13.8
131.04922	9.4
131.08527	4.6
133.10146	10.7
134.99580	3.2
135.08025	4.2
135.11688	21.4
137.05988	30.1
137.09627	4.7
137.13226	7.6
138.69962	2.7
139.03883	5.5
139.11197	39.4
141.44450	2.6
144.04427	3.4
145.06500	3.1
145.10123	8.8
147.04428	16.7
147.11720	23.7
149.06004	4.6
149.09608	8.2
149.13266	5.4
151.03920	3.8
151.11172	8.3
153.12712	16.3
155.08528	4.0
157.10162	4.9
157.12248	35.8
159.11694	10.8
159.66490	2.9
161.13240	5.3
163.03842	5.3
163.07619	6.6
163.11163	6.1
165.09090	3.4
165.12762	11.2
172.03931	17.9
173.13225	3.7
177.05452	10.4
177.12790	3.9
178.05806	3.2
181.04961	8.1
185.13226	2.7
187.13181	5.1
187.14828	3.3
189.09157	4.7
195.13789	3.1
203.12782	9.0
204.06569	28.3
223.16983	3.5
229.15891	2.9
251.16469	7.0
275.23792	10.1
283.07629	3.5
291.23108	13.0
303.23163	40.1
309.24216	5.9
321.24249	79.2
322.24329	4.4
339.25391	17.8
355.49979	2.8
357.07938	9.5
357.18808	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	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	18.1
55.05512	100.0
56.96555	12.4
57.03424	34.4
65.03918	10.9
65.08974	8.6
67.05508	90.5
69.03426	16.5
69.07066	55.9
69.43958	43.3
69.44382	43.0
71.04975	20.4
79.05503	70.7
81.03434	44.5
81.07070	68.3
83.04986	13.6
83.08620	49.1
85.06542	10.1
91.05463	55.2
93.07053	45.7
95.01330	33.8
95.04970	54.7
95.08595	29.5
97.06512	39.6
97.10169	93.6
105.07031	45.3
107.04962	38.7
107.08601	57.7
109.02849	23.3
109.06510	31.3
109.30877	11.4
111.04440	9.3
115.07556	16.6
117.07010	18.3
119.08575	42.6
121.02867	44.1
121.06522	39.8
121.10135	13.6
123.04417	18.7
123.08091	13.3
125.09639	91.1
129.06992	13.7
131.08560	22.3
133.10123	19.8
135.08040	40.3
135.11723	18.4
137.05972	14.3
137.09618	13.4
140.15520	9.5
147.08046	12.9
147.11674	36.7
153.09071	26.8
159.08087	74.3
161.09627	16.6
163.07535	21.6
170.63185	10.8
172.00943	10.3
173.09651	12.2
175.11147	12.2
185.09593	19.4
193.12230	41.6
203.12781	88.5
211.11346	12.4
211.13345	12.1
219.13795	21.3
221.11809	61.7
233.15359	16.6
239.12775	40.6
247.13280	31.8
251.16418	19.1
259.07538	15.1
271.16925	22.7
273.59778	11.5
277.04117	20.0
278.18213	10.1
279.03619	12.0
289.17978	65.2
307.03311	11.0
321.20700	12.9
323.04739	61.8
324.05249	15.5
325.04410	26.2
335.03317	11.5
344.03564	11.2
344.53922	35.3
345.03482	11.7
353.04184	17.8
354.04633	9.8
355.54559	37.6
356.04794	21.9
356.26297	15.1
356.54367	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	356.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.05504	4.8
57.03418	8.9
59.05009	5.2
61.02924	5.2
67.05489	10.9
69.03432	18.3
69.07044	5.4
70.06589	8.3
70.75076	5.8
70.75406	4.3
71.04993	7.3
71.08633	60.6
73.02914	4.5
79.05481	8.5
81.03422	23.6
81.07059	17.7
83.04980	5.5
84.04533	3.4
85.02910	26.7
85.06547	4.6
86.09709	9.2
91.05444	7.0
93.07040	3.7
95.04984	6.5
95.08581	7.5
96.43835	3.1
97.02893	12.2
97.06526	7.5
99.04457	8.1
99.08094	30.6
100.08402	3.2
105.07067	6.6
107.04925	5.4
107.08582	6.3
109.02888	34.5
109.06533	20.8
110.07157	3.9
110.68510	2.7
111.04444	6.2
113.47583	3.6
116.28474	2.9
117.03352	3.3
117.09139	76.2
119.04961	3.5
119.08606	4.5
120.08928	5.9
121.06519	3.6
123.04470	5.2
123.08065	3.4
127.03915	17.7
130.67534	3.1
131.04936	5.3
131.08621	3.1
133.10107	7.1
134.10472	6.1
135.08063	3.7
137.05983	33.5
138.06300	10.8
141.09109	100.0
145.02838	7.1
145.06424	4.6
145.08557	3.9
149.05965	5.1
159.10181	17.7
161.05931	3.5
163.03975	3.7
163.07584	4.6
164.04320	4.6
164.07101	3.8
175.14816	4.8
176.15201	5.9
177.00531	3.7
177.05486	17.5
177.11235	53.0
179.07010	3.0
195.02960	14.5
196.67212	3.3
203.98016	3.1
204.06584	6.2
206.11810	6.2
339.07019	3.3
355.18149	3.2
356.15164	6.5
357.11554	13.1
377.56421	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	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
53.83334	2.4
55.01856	11.3
55.05283	3.0
55.05517	24.0
56.37793	2.4
56.96568	22.4
57.03436	12.7
60.09685	2.5
67.05509	85.9
69.03438	5.9
69.07074	21.0
71.01362	2.7
71.04988	6.1
71.58124	2.6
71.58527	3.5
73.05496	2.6
79.05077	2.8
79.05502	42.1
79.39032	2.3
80.05827	2.5
81.03410	10.0
81.07066	67.1
83.04545	4.3
83.04989	48.2
83.08628	6.8
85.06540	10.1
91.05484	59.0
91.27206	2.8
93.07044	48.2
95.04979	22.3
95.08610	22.4
96.66343	3.0
97.05916	4.4
97.06538	84.4
99.08109	3.5
105.07040	69.0
107.04939	9.6
107.08599	50.5
109.06554	20.5
109.09462	4.2
109.10162	65.1
111.08085	17.9
113.05997	9.2
115.07551	5.3
117.07030	11.5
119.08565	11.2
121.06501	7.4
121.10108	7.1
123.04385	4.0
123.08049	8.4
123.11703	20.0
125.09639	2.7
125.29987	2.6
127.07575	2.9
129.07008	8.3
131.08591	15.6
133.06487	6.9
133.09117	5.0
133.10132	100.0
134.65028	2.4
135.08037	7.5
135.11696	3.8
135.36023	2.4
137.05943	5.1
143.08603	3.8
145.10098	9.3
146.99472	2.3
147.08005	3.8
147.11714	4.4
149.09686	13.4
151.11197	81.4
157.10204	2.7
159.08087	3.0
159.11687	3.7
161.09659	4.7
163.48560	2.4
165.12772	3.2
170.71877	2.3
171.11682	6.0
173.09691	4.5
173.13220	5.9
175.11162	5.1
177.09134	8.5
179.10736	5.4
183.10213	2.4
183.11716	2.3
183.13834	14.1
191.10641	4.4
193.12279	8.4
221.11736	5.5
233.15424	4.2
261.18448	5.5
271.04120	3.2
271.16998	8.4
275.05301	3.4
280.04678	5.3
285.03894	5.8
285.54089	5.6
289.05118	7.9
289.17987	28.5
291.55542	3.5
293.50534	2.5
294.04358	25.9
294.54578	5.7
297.04651	2.7
303.04950	25.3
303.19641	6.3
303.54980	10.1
305.55295	12.8
306.05258	6.7
307.19028	4.6
315.04987	5.1
315.16360	4.1
315.55313	3.2
321.20703	17.6
324.05539	24.1
324.55588	6.4
333.06033	26.1
333.17404	8.3
333.56021	9.5
335.56296	9.3
336.06564	4.8
344.56796	18.2
345.06937	7.7
351.18259	3.2
356.07581	7.1
356.18893	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	356.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
53.67824	1.5
55.01864	6.9
56.96556	2.0
57.03429	6.2
61.02915	6.5
69.03072	2.6
69.03432	37.6
70.46519	5.9
71.04982	4.2
73.02905	6.5
73.06553	15.6
79.05521	1.5
81.03419	21.4
84.08170	2.4
85.02908	100.0
87.00832	48.0
87.04450	1.6
91.05788	5.2
97.02892	32.0
97.06533	2.7
99.04469	11.9
105.01868	95.6
108.05293	1.7
109.02881	31.5
115.03941	1.7
116.98598	2.0
117.01810	1.9
119.04934	2.4
127.03923	69.2
129.01855	2.0
135.04416	5.3
136.04779	2.2
137.05983	5.7
139.03946	2.2
145.04959	24.3
147.02896	2.1
147.04408	1.8
159.02861	8.3
163.03880	14.5
164.04240	13.4
164.06949	1.7
166.05080	2.2
189.03848	1.8
195.02791	2.8
204.51424	1.5
213.03949	5.6
231.04987	24.8
249.06073	13.2
252.09761	1.8
276.46494	1.8
356.07074	3.3
356.13126	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	356.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90785	5.0
52.17843	4.9
53.03936	6.3
55.01862	6.0
56.96565	7.0
57.03437	7.5
60.00684	4.5
61.02934	7.6
68.99824	6.4
69.03436	43.9
69.07072	7.3
71.11026	8.8
71.11370	7.4
73.02888	9.6
73.06544	16.8
74.56254	5.0
78.40594	4.5
81.03409	28.7
85.02908	100.0
87.00822	38.3
90.10126	4.6
91.05833	27.9
92.05760	6.8
97.02898	34.4
98.97591	8.4
99.04454	10.9
105.01865	91.6
107.08598	8.8
109.02876	25.1
113.97535	4.9
116.98595	8.8
127.03919	93.7
135.04411	8.3
135.07950	4.9
137.05957	6.2
139.43765	5.4
145.05020	27.5
145.06035	5.4
145.08594	12.2
146.03252	5.1
159.10101	8.0
163.03876	13.1
164.04250	19.7
179.43582	5.7
194.08025	6.1
219.01523	5.9
231.05048	20.3
249.06056	18.1
261.02908	6.5
286.01065	9.3
356.06863	9.5
356.13159	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.36397	3.7
53.03913	4.8
55.05511	32.0
57.03438	8.8
57.07076	14.5
65.03958	4.1
67.05503	86.0
67.25418	4.3
69.07068	41.7
71.08610	7.1
79.05500	24.5
81.07054	100.0
83.04979	4.5
83.08609	27.3
85.06562	4.2
91.05463	20.7
93.07021	31.7
93.09944	3.6
95.08611	80.6
97.06525	6.8
97.10178	24.1
105.07041	10.5
107.08600	22.8
108.20408	3.3
109.10162	41.6
111.08082	5.5
119.08556	15.9
121.10167	27.8
123.11716	27.5
124.73697	4.2
133.10144	17.2
135.11676	15.0
137.06023	6.0
137.09723	4.7
137.13297	9.8
147.11702	11.2
149.13245	18.4
151.14764	5.2
161.13248	18.2
163.14828	12.1
165.16406	8.5
175.14828	14.6
178.98410	4.3
189.16333	8.5
245.22644	54.2
263.23727	67.6
316.25177	4.1
337.27411	51.8
337.65869	4.0
355.28979	10.4
355.34021	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
56.96552	1.2
57.03433	2.2
61.02922	2.2
69.03436	5.4
69.07063	1.6
70.06580	2.3
71.04964	1.4
71.57263	2.0
73.02901	2.9
73.04734	1.3
79.05481	2.8
81.03403	3.8
84.08142	2.0
85.02911	15.7
87.00822	2.5
87.04456	2.0
89.59908	1.0
91.05470	5.0
95.04993	1.1
97.02882	6.2
98.97561	1.2
99.04438	1.6
103.05458	1.9
105.01909	5.6
105.07035	4.9
107.04988	1.0
109.02894	3.2
110.07195	1.2
111.04427	1.5
117.03423	1.0
117.05772	9.4
119.04971	1.2
120.08112	2.0
121.06507	1.4
123.04465	1.3
124.07627	1.1
127.03925	7.7
129.01796	1.2
130.06516	2.2
132.08109	15.1
133.05228	5.0
133.08369	1.1
135.04401	2.5
136.04770	1.8
136.06223	1.2
137.05930	1.2
137.08327	1.8
143.99940	1.0
145.04961	4.5
147.06790	3.5
148.06387	2.1
148.07568	37.9
148.08705	2.2
149.07939	1.4
150.05452	6.4
159.02853	1.1
160.07581	8.4
163.03922	9.5
164.04237	8.2
164.07097	2.9
166.05040	1.5
166.08612	8.9
176.07069	43.9
177.07422	1.5
178.07217	1.0
194.04478	1.6
194.06427	2.2
194.08156	37.7
194.10274	4.4
218.06644	1.5
231.05118	1.6
356.13400	100.0
357.13736	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05504	32.7
57.03449	8.3
57.07074	11.2
59.92082	5.1
67.05505	88.1
69.07076	39.5
69.64436	5.2
69.94469	28.2
70.06581	5.7
71.08646	6.6
79.05496	25.5
79.46571	5.5
81.07061	100.0
82.17028	4.9
83.08644	32.6
85.06522	7.3
86.52207	5.1
88.60947	5.7
91.05460	12.5
93.07061	27.4
95.05000	6.6
95.08613	89.0
97.06544	10.4
97.10174	21.1
105.07027	12.3
107.08601	20.3
109.10158	47.2
111.08072	9.3
116.14136	6.1
119.08589	15.7
121.10113	29.9
121.22670	5.1
123.11706	28.6
127.35037	4.6
133.10133	17.3
135.11720	14.3
135.71217	6.3
137.13293	13.6
147.11691	10.5
149.13261	12.5
151.14824	11.7
161.13269	17.2
163.14862	10.5
163.81735	5.2
175.14841	11.5
189.16405	5.6
193.15910	6.3
203.81248	5.3
235.72122	5.4
240.38942	5.4
245.22649	50.7
263.23737	58.6
319.83655	4.7
337.27402	38.1
355.28403	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26986	1.3
53.03939	2.1
53.99696	1.1
55.01873	2.4
55.05263	2.1
55.05509	26.4
56.57353	1.3
57.03449	6.8
57.07076	15.4
61.99982	1.3
67.05504	81.1
69.07064	40.0
70.06590	2.7
70.15598	5.5
71.04993	2.5
71.08636	6.7
73.01730	1.3
79.05495	25.1
81.07053	100.0
83.04979	2.9
83.08142	2.2
83.08617	33.2
85.06519	4.7
85.10192	4.5
88.07632	2.7
91.05468	18.5
93.07050	32.8
94.07357	1.8
95.04969	2.2
95.08606	90.3
96.08936	1.7
97.06536	7.9
97.10172	20.3
99.08087	4.6
103.03951	1.7
105.07029	17.2
106.08643	2.6
107.08585	22.0
109.10155	42.0
110.10465	2.0
111.08080	3.9
111.11720	6.8
113.09651	3.4
117.06989	1.8
119.08583	15.9
121.10146	30.6
123.08089	1.4
123.11713	24.6
125.09617	3.0
125.13268	2.5
129.05478	2.1
133.10114	17.5
135.11690	16.7
137.05974	2.0
137.09595	3.9
137.13254	9.5
139.11174	1.7
141.12747	2.0
147.11682	14.5
149.13249	13.8
151.11215	2.7
151.14833	10.1
151.94403	1.5
155.14319	2.4
161.13298	14.1
163.14821	12.6
165.16438	9.8
167.14330	1.6
175.14822	10.7
177.16389	2.9
179.14317	1.5
179.17928	4.4
189.16402	6.2
201.14954	1.8
203.17972	2.6
217.19432	1.3
229.07446	2.1
245.22638	50.5
246.22888	2.9
247.08398	1.6
247.24246	2.4
248.09093	1.5
263.23700	68.8
264.24121	1.8
265.25272	2.1
337.27380	33.9
352.20435	1.3
354.68958	2.0
355.28476	10.9
356.35168	19.4
373.98355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
50.61159	0.3
51.02374	0.3
53.03941	0.7
55.01863	0.9
55.05498	0.4
65.03933	0.4
67.05503	1.3
69.07060	0.8
70.90720	0.7
70.91094	0.7
77.03916	0.3
78.04704	0.4
79.05490	2.7
81.03417	1.3
81.07056	1.0
82.53058	0.3
91.05424	2.3
93.07046	1.4
94.04177	0.4
95.04970	2.0
95.08622	1.1
97.06518	0.8
103.05459	2.9
105.07038	5.1
107.04953	100.0
108.05292	1.4
109.06490	0.4
109.10174	0.7
115.05442	2.3
117.06976	0.9
118.04181	1.0
119.04939	0.8
119.08578	1.5
121.06506	3.9
121.10128	0.5
122.03652	2.0
123.04439	1.1
129.06976	0.8
130.04167	0.7
131.04939	3.7
131.08575	0.6
133.02856	0.4
133.06488	11.0
135.04466	0.4
137.05977	45.7
138.06317	1.4
141.07001	0.4
143.04918	0.6
143.08493	0.6
144.05763	0.5
145.06461	1.9
146.03654	0.4
146.07249	0.5
147.04375	0.8
147.08022	3.1
149.05981	1.6
151.03893	0.9
151.07538	0.8
155.06039	0.4
157.06502	1.4
159.08026	1.3
160.05238	0.4
161.05963	5.0
163.03925	1.1
163.07518	3.2
167.07037	9.6
169.06474	0.6
169.12263	0.3
171.08015	0.5
173.05977	1.0
175.07535	2.3
176.04692	1.1
177.05504	1.2
177.09062	1.3
179.07040	1.5
179.08501	0.4
181.04915	1.5
181.06464	0.9
183.08083	1.3
187.07549	1.0
189.09111	0.9
191.07028	9.4
191.08766	0.6
192.07748	0.6
193.08611	16.7
194.08977	0.4
201.09140	1.1
203.06982	2.1
205.08583	1.0
207.06546	1.5
207.10167	7.4
209.08165	0.6
213.09152	0.5
217.08553	1.2
219.08232	0.4
219.10106	1.8
231.10176	0.8
235.09666	4.2
237.45436	0.3
245.09570	0.5
249.11247	1.2
266.20010	0.3
267.13803	0.5
275.38477	0.3
277.08487	0.5
277.12115	0.7
295.24582	0.6
297.11426	0.4
305.11661	1.6
323.12564	0.4
333.19189	0.4
337.14377	3.7
355.15378	9.5
355.22324	0.5
356.15689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05518	26.6
56.96557	4.1
57.03428	7.8
57.07071	11.7
61.02928	4.1
67.05506	82.8
69.03458	3.2
69.07070	41.3
70.05353	12.7
70.06597	3.2
71.04991	3.1
71.08627	8.7
79.05490	16.8
79.63100	2.4
81.07057	100.0
82.08480	2.8
83.04971	2.6
83.08623	29.0
85.02898	2.9
85.10181	5.3
88.07642	4.1
91.05453	14.9
93.07035	28.5
95.04946	2.8
95.08612	86.7
96.08949	3.1
97.06534	10.2
97.10167	20.3
99.08092	4.9
102.55181	2.6
105.07032	17.7
106.07368	2.5
107.08591	19.2
109.06549	2.8
109.10167	45.9
111.08075	5.8
111.11703	7.0
111.28117	2.4
117.07039	2.6
119.08578	16.4
119.22334	2.2
121.10145	27.4
122.10424	2.5
123.11708	24.5
125.13250	3.1
131.08540	2.9
133.10164	19.6
135.11684	21.9
137.05966	3.8
137.09633	3.3
137.13251	14.5
139.11295	2.5
141.12721	3.2
147.11705	14.9
149.13240	13.4
151.11238	3.7
151.14851	9.5
161.13249	15.3
163.14783	13.0
165.16348	7.1
175.14842	10.7
177.16396	3.0
179.17955	4.6
184.07356	5.2
185.38112	2.3
189.16396	5.2
217.07486	3.8
221.22665	2.4
229.07434	19.6
230.07918	5.7
245.22653	56.3
247.08513	17.5
247.24243	3.3
248.08946	7.7
252.09047	3.4
263.23700	60.0
263.71747	2.9
337.27417	41.3
340.20682	3.2
355.28387	9.6
355.33475	2.9
356.35312	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01866	1.1
55.05508	1.7
56.96540	0.9
65.03948	1.0
67.05495	2.5
69.07069	1.8
71.04981	0.8
71.59547	1.0
79.05505	5.0
80.45508	0.7
81.03415	2.3
81.07058	3.8
83.08592	1.5
84.25971	0.7
91.05473	2.8
92.49931	0.7
93.07036	2.6
94.04183	1.8
95.04961	2.2
95.08609	2.1
97.06516	1.1
103.05449	3.2
105.07016	3.5
107.04954	16.7
107.08595	1.8
109.02875	1.0
109.06517	1.0
109.10141	1.6
115.05438	1.1
117.07013	2.6
119.04934	1.4
119.08625	1.9
121.06508	1.5
121.10149	2.0
122.03684	4.5
123.04386	0.9
123.08073	0.7
127.03883	0.8
129.06960	0.9
131.04938	7.9
133.06473	2.3
133.10106	1.2
135.04372	1.8
135.08101	0.9
137.05980	100.0
138.06310	2.2
145.06490	2.7
147.04417	3.5
147.08020	0.9
147.11685	1.3
149.06030	1.3
151.03911	3.0
151.07536	2.9
153.05475	1.4
153.06985	1.2
157.06476	1.6
159.04497	0.8
159.11694	0.9
161.05974	3.0
163.03903	3.5
163.07565	11.7
171.08054	1.2
171.11784	0.9
173.06013	1.3
175.07516	2.1
177.09093	6.1
179.07021	4.5
181.04945	1.7
181.06523	2.3
187.03970	1.1
187.07524	3.4
189.09111	4.0
191.07008	5.0
193.08578	3.2
201.05496	0.9
201.09174	1.1
205.08578	4.4
207.10118	1.2
213.05431	1.5
213.09103	2.6
219.10202	2.2
231.10152	2.1
235.09650	1.2
245.09608	1.1
249.11353	1.0
267.13773	2.8
277.08658	1.1
277.11868	0.8
293.08191	0.8
295.24582	1.3
303.10098	0.9
305.11719	3.1
321.79510	0.8
337.14359	11.2
355.15549	12.8
355.26556	1.3
356.15564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
52.93450	0.7
55.01855	0.8
56.24371	0.7
56.96571	0.8
65.03951	1.1
65.95894	0.7
67.05478	1.1
69.03396	1.0
69.07051	0.8
70.06578	0.9
71.21729	1.6
79.05491	2.0
81.07035	0.9
82.26349	0.6
85.02879	2.4
89.03918	5.6
91.05436	11.2
94.04165	0.7
95.04960	3.8
95.08611	1.0
97.02924	1.2
98.97578	1.3
103.05469	1.4
105.03401	0.8
105.07033	1.1
107.04953	2.8
117.03387	6.8
117.07003	0.8
119.04951	10.3
122.03671	2.0
127.03940	1.0
128.06206	3.1
129.06990	1.6
131.04909	3.3
135.04425	16.6
136.05191	1.5
136.06178	1.6
137.05978	37.1
141.07014	0.8
142.98517	0.7
143.04907	1.6
143.08559	2.0
144.05823	0.7
145.02846	12.8
145.03979	1.1
145.06474	1.8
147.04433	1.2
147.08112	0.9
149.05917	1.3
151.03983	1.4
151.07542	32.3
153.06996	2.9
157.06493	1.5
160.05161	0.8
161.05977	1.4
163.03912	100.0
163.07550	4.4
164.04297	1.9
171.06601	0.6
171.08040	1.4
175.07573	4.2
177.05490	1.6
177.09100	1.6
178.04942	0.8
179.06915	1.1
181.06454	4.1
187.07562	10.9
188.08356	1.2
189.09071	4.8
191.08586	0.8
193.04961	3.2
200.08405	1.3
201.09065	1.5
202.07846	1.4
203.10678	8.0
205.06609	0.9
213.09079	3.2
217.06549	0.9
217.10170	2.2
219.08055	2.3
227.08441	0.8
231.10130	1.4
234.06845	1.9
235.07504	0.9
245.09639	3.2
247.07648	1.1
249.09146	2.8
251.10809	1.0
253.08762	1.4
262.09915	1.2
263.07053	1.9
266.11749	0.8
273.09097	2.8
277.08612	3.3
277.12231	5.1
279.10233	3.2
281.08121	1.4
284.08334	0.7
290.09430	1.4
291.10175	1.1
296.10541	3.2
305.11752	16.2
306.12653	1.9
309.11255	1.6
309.14667	0.8
311.12753	7.7
322.12039	0.8
327.15936	7.2
337.10254	1.2
337.14337	22.6
355.07080	2.1
355.15472	22.3
373.93686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3369
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05502	6.0
57.07074	9.9
58.06594	9.4
58.42881	4.0
59.36611	4.2
60.04523	17.4
67.05494	4.8
69.07062	13.2
70.06612	7.4
71.08636	6.9
71.39457	4.6
71.57120	5.6
71.57482	5.8
75.82980	4.4
79.05473	5.0
81.07059	17.6
83.08620	10.0
90.56213	3.6
95.08621	12.9
97.06553	4.9
97.10199	5.2
109.10152	9.4
312.32550	5.2
336.32672	7.1
341.90546	4.9
354.29996	8.2
354.33670	100.0
355.34103	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	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
67.05486	0.3
69.03427	0.4
69.69330	1.3
69.69735	0.7
70.06580	0.5
73.04753	0.3
79.05487	1.4
80.57293	0.3
82.43639	0.3
83.04981	0.4
83.12809	0.3
85.02911	0.7
89.03916	5.3
91.05798	1.0
93.03401	0.3
95.04976	0.6
97.02918	0.3
107.04948	2.1
117.03385	6.6
117.06965	0.4
119.04887	0.4
134.03653	0.3
135.04417	17.0
136.04782	0.3
137.05949	1.3
145.02852	10.6
145.03992	0.5
163.03909	100.0
164.04327	1.6
164.07042	0.5
174.05537	1.6
175.05887	2.1
187.07576	0.4
192.06581	0.8
193.05161	0.6
193.06934	1.0
285.00974	0.5
337.14111	0.4
355.07712	0.6
355.12164	2.4
355.15930	0.6
355.22192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
51.80190	2.1
52.87584	1.7
55.01877	2.4
55.05511	22.1
56.96558	2.2
57.03440	2.7
57.07061	3.0
60.04517	8.3
61.02914	2.9
67.05505	31.4
69.03437	3.0
69.07070	10.9
70.06566	3.3
71.04967	2.2
71.08628	5.6
79.05103	2.6
79.05495	21.1
80.05008	4.4
80.45986	2.3
81.03429	3.4
81.07058	24.2
82.06570	4.8
82.07364	2.8
83.04996	1.9
83.08625	8.7
85.02905	1.9
85.06582	1.9
91.05464	13.9
93.07038	27.8
94.06555	4.3
95.04966	6.0
95.07363	2.6
95.08609	18.5
96.08120	4.7
97.02927	2.3
97.06543	2.2
97.10177	8.9
99.08088	3.5
100.11254	5.8
100.53129	2.1
103.05481	2.2
105.07029	11.8
106.06593	3.0
107.04955	7.3
107.08578	13.3
108.08140	3.5
109.06524	3.0
109.08905	1.8
109.10155	8.8
111.08067	3.1
117.07029	1.8
117.67200	2.4
119.08595	6.8
121.06493	3.4
121.10133	10.2
123.11737	4.0
125.09641	5.6
129.06975	2.0
131.04877	2.0
131.08575	4.0
133.06441	2.7
133.10181	5.2
135.08058	4.5
135.11729	5.3
136.05188	8.3
137.05969	25.1
138.12733	5.0
145.10088	6.3
147.08072	4.4
147.11722	4.8
149.09677	2.8
149.13251	4.7
150.06844	2.9
150.12784	5.5
151.07544	47.2
151.11205	3.0
152.14340	6.0
154.12183	2.4
157.10188	3.5
159.11690	2.4
161.05994	2.5
161.13284	4.4
163.07471	4.5
163.14859	2.2
165.09084	11.0
165.12762	2.9
175.14828	3.0
177.09138	7.8
177.12764	7.1
184.07428	2.7
189.09129	4.4
189.11226	4.5
191.10684	2.5
203.10661	4.4
210.14903	3.1
212.06917	2.0
259.20514	9.6
262.22458	2.2
274.21591	9.6
276.23218	29.7
277.21634	29.4
292.22748	7.9
294.24274	100.0
295.24921	5.6
312.78918	2.1
317.18066	4.8
318.24335	5.7
335.19122	2.0
336.25336	14.6
340.16653	15.5
354.26419	96.2
355.15598	2.5
355.19110	19.6
355.26575	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05501	12.6
56.83662	3.3
56.96417	3.3
57.03418	8.1
57.07107	3.7
61.51895	3.3
67.05165	6.7
67.05507	76.0
69.07068	10.8
70.28960	13.8
79.05501	33.9
81.07058	89.7
83.08614	9.2
85.06567	5.3
91.05482	12.3
92.51855	3.8
93.07051	45.6
95.08614	69.1
95.09173	7.5
97.06567	7.0
97.10148	3.5
98.21434	4.9
104.59659	3.2
105.07060	16.4
107.08606	37.3
109.10149	36.1
117.07038	8.8
119.08569	10.7
121.10159	31.6
123.11743	22.1
131.08540	21.5
133.10135	8.4
135.11687	25.6
137.13260	6.1
145.10124	15.4
147.11699	15.7
149.13229	17.7
151.14749	4.6
159.11705	11.2
161.13278	12.3
163.14818	12.2
165.12892	4.5
173.13333	17.3
173.14572	3.7
177.16499	5.9
180.69182	3.2
181.90271	3.5
187.14873	9.8
243.21112	27.3
261.19394	7.3
261.22162	100.0
279.23117	7.2
335.25842	19.9
353.26862	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.2
57.03438	4.3
57.07057	2.7
65.03930	3.0
67.05508	72.3
69.07078	10.5
79.05499	33.0
80.11900	1.8
81.07059	80.0
83.08613	8.7
85.06519	2.6
91.05482	13.3
92.28349	2.6
93.07044	52.1
93.07634	3.7
95.04964	3.3
95.08051	4.2
95.08613	54.1
97.06507	2.5
97.10152	3.8
99.08084	2.5
105.07027	13.4
107.08591	28.0
109.10163	30.8
111.11749	2.2
117.06207	1.9
117.07025	8.0
119.08619	13.2
121.10159	25.3
123.11722	17.1
131.08572	14.1
133.10147	11.9
135.11697	24.7
137.09656	2.7
137.13258	8.9
145.10153	13.2
147.11697	10.3
149.13240	17.9
151.11157	2.5
151.14890	4.5
159.11699	16.0
161.13260	8.6
163.14854	13.7
173.13260	17.0
175.14763	3.8
177.16388	5.2
187.14781	12.1
233.22569	4.0
243.21060	26.6
244.21150	2.0
261.22156	100.0
262.22562	3.5
279.23199	3.7
335.25754	8.8
353.26929	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50202	1.5
55.01866	2.0
57.03422	2.9
61.02923	15.7
67.05525	1.6
69.03429	5.9
70.15126	6.7
73.04762	2.0
74.31040	1.4
79.05491	35.8
84.08127	1.9
85.02907	14.2
89.03920	5.9
91.05879	8.3
91.20956	1.5
93.07047	24.4
95.04961	3.8
96.08198	1.5
97.02886	5.4
97.06528	16.3
98.21419	2.2
98.97559	2.2
107.04977	2.1
111.04535	1.9
111.08087	2.0
113.06003	1.6
116.98660	1.7
117.03382	6.6
121.06538	8.0
127.03888	4.8
131.25099	1.5
133.02861	2.2
134.03658	4.0
135.04427	13.2
137.05946	1.7
139.07538	100.0
145.02834	8.8
145.04997	2.1
152.07115	1.6
157.08604	56.1
161.02914	1.7
163.02547	3.2
163.03918	67.0
175.09665	33.7
185.02921	1.6
192.12198	1.6
197.52187	1.7
212.10815	1.7
219.08885	4.4
245.05107	2.0
248.12901	7.8
256.09689	2.4
285.00900	4.3
292.11774	23.0
336.14532	4.9
354.15298	11.1
355.06827	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.8
57.03434	7.2
57.07080	5.6
57.69426	2.5
59.04986	2.6
59.16849	2.5
60.55314	2.8
62.96974	2.4
67.05508	87.5
69.07070	13.4
71.03540	7.3
71.04990	4.4
71.08630	4.2
78.49232	2.7
79.05495	44.4
81.07059	96.4
83.08610	7.0
91.05486	24.5
91.55092	2.3
93.07041	52.7
95.08611	72.2
95.38992	2.4
95.42934	2.6
97.10220	3.2
105.07021	13.4
107.08609	39.9
109.06501	4.0
109.10159	36.1
117.07024	10.1
117.36160	2.4
118.80083	2.7
119.08591	14.2
121.10145	39.4
123.11697	21.2
131.08580	21.0
133.10130	11.1
135.11694	28.8
137.13263	7.9
145.10138	13.3
147.11707	11.7
149.13248	24.0
156.13905	2.6
159.11694	12.8
161.13304	9.2
163.14838	14.4
168.40129	2.5
173.13309	15.1
174.13713	2.9
175.14835	4.0
177.16347	4.0
183.24350	3.0
185.09912	2.8
187.14886	8.2
233.22816	4.5
236.93452	2.7
243.21136	28.6
261.22165	100.0
279.23288	3.2
332.11484	2.8
335.25900	11.6
350.26715	3.8
353.26907	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.07185	2.7
55.05507	10.3
57.03443	6.6
57.23196	2.5
67.05507	82.9
69.07070	10.9
70.76570	7.7
79.05494	33.2
81.07060	100.0
83.08614	5.8
91.05500	20.6
93.07046	52.0
95.04965	2.6
95.08610	71.9
97.06531	3.6
97.10185	5.2
99.08087	4.7
105.07049	16.9
107.08608	31.8
109.06593	2.9
109.10168	43.5
117.07031	6.6
119.08564	12.1
121.10134	32.6
123.11694	20.8
125.09580	3.1
131.08611	15.8
133.10130	11.8
135.11696	26.8
137.13248	9.0
145.10086	12.6
147.11690	10.8
149.13301	20.2
159.11723	14.9
161.13324	5.3
162.37547	2.4
163.14861	10.5
173.13290	13.3
174.68681	2.4
175.14842	3.2
177.12862	2.6
177.16356	6.6
186.57883	3.0
187.14804	8.3
190.67215	2.8
191.14308	2.8
215.17834	3.7
230.12300	2.6
243.21077	26.2
244.21581	3.1
261.22165	98.3
262.22464	7.7
279.23282	7.5
335.25894	17.5
353.26917	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
53.11293	2.3
53.22503	2.3
55.05507	9.6
57.03423	3.6
57.07066	3.5
58.59774	2.2
65.03931	3.8
67.05508	78.4
69.07072	12.7
71.30190	3.2
71.30516	3.6
71.47588	2.3
79.05492	34.5
81.07063	80.5
83.04951	2.5
83.08603	9.2
83.88570	3.0
85.06516	2.4
89.55773	2.5
91.05488	19.3
93.07047	55.9
95.04939	3.5
95.08606	59.5
95.35205	2.8
97.10199	4.0
105.07032	15.7
107.08606	37.5
109.10161	31.1
111.08035	3.3
117.07013	5.8
119.08584	11.8
121.10148	30.6
123.11691	16.4
131.08597	19.3
133.10164	11.8
134.38103	2.7
135.11688	21.9
137.13226	7.8
145.10104	18.4
147.11705	11.1
149.13272	22.3
159.11703	10.5
161.13249	10.1
163.14841	14.6
173.13237	15.4
175.14812	2.7
177.16454	4.7
187.14828	9.4
227.12688	2.7
233.22731	6.0
243.21103	24.7
261.22147	100.0
279.23172	4.1
335.25739	8.7
353.26883	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05493	17.5
57.03433	6.4
57.07070	4.9
65.60318	4.3
67.05502	100.0
69.03413	5.3
69.07058	18.0
70.60387	10.3
70.60787	9.5
79.05492	46.3
81.03432	4.3
81.07055	83.0
81.53563	4.5
83.08627	7.6
91.05488	25.7
93.07048	68.1
95.04989	4.9
95.08601	78.9
96.63340	4.6
97.06551	6.5
98.21418	6.5
105.07025	27.6
107.08602	43.6
108.51532	4.0
109.10153	42.4
117.06999	12.4
119.08564	14.7
121.10140	33.2
123.11728	21.4
131.08589	24.0
133.10118	19.6
135.11700	30.2
137.05954	8.4
137.13208	13.4
145.10112	22.4
147.11671	15.4
149.13252	20.1
159.11685	17.3
161.13249	12.8
163.14789	20.1
173.13213	12.5
184.07321	6.3
187.14896	7.2
189.28717	4.8
189.97661	4.4
211.55869	4.3
243.21062	31.2
247.08417	7.5
259.60770	4.8
261.22134	91.0
279.23212	5.1
302.52283	4.9
335.25613	12.5
353.09598	6.2
353.26526	17.9
354.33447	14.0
366.07242	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05514	14.0
57.03431	6.0
57.07068	4.2
63.88066	2.3
64.65462	1.9
65.03912	2.3
67.05506	90.6
69.07060	14.6
71.04991	3.1
75.04456	2.0
78.65386	2.4
79.05493	37.8
81.07059	100.0
83.08626	5.7
91.05471	19.8
93.07047	47.5
95.05001	2.9
95.08607	71.8
97.06554	2.4
97.10179	3.1
98.20746	4.0
98.55297	2.3
105.07027	16.9
107.08585	30.8
109.10154	38.0
113.09621	3.1
117.07014	8.0
119.08582	8.2
121.10130	24.6
123.11707	19.8
131.08580	22.4
133.10138	10.0
135.11697	23.7
137.09601	3.3
137.13277	6.9
139.93646	2.2
145.10124	13.7
147.11665	10.1
149.13254	17.3
159.11708	11.7
161.13275	8.9
163.14853	10.6
173.13242	12.0
177.16411	4.3
187.14836	7.5
219.17517	2.2
243.21107	22.7
253.47289	2.5
261.22144	83.3
279.23199	4.7
293.03595	3.5
335.25723	12.6
339.87711	2.5
353.05829	5.7
353.26880	32.1
367.85071	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03951	2.0
55.01876	1.6
55.05311	1.5
55.05515	15.2
57.03426	5.0
57.07068	7.4
57.45160	1.1
58.06594	1.9
63.75859	1.1
65.03944	2.3
67.05505	85.3
68.05853	1.3
69.07069	13.4
69.46365	1.3
69.81355	2.2
69.81770	4.9
71.04970	3.8
71.08618	5.3
73.72047	1.1
79.05492	58.1
80.05841	1.1
81.07056	95.1
81.18777	1.1
82.07383	1.3
83.04967	2.1
83.08606	9.4
85.06531	5.0
90.01873	1.0
91.05483	27.5
93.07043	73.7
94.07381	1.1
95.04964	5.7
95.08607	73.4
97.06527	4.5
97.10169	4.2
99.08097	7.8
105.07029	26.5
106.29449	1.2
107.07870	2.6
107.08591	46.1
109.06513	2.8
109.10160	29.5
110.10442	1.5
111.08095	2.2
113.09651	3.1
117.07016	10.8
119.08582	18.5
121.10139	35.6
123.08070	2.6
123.11700	16.0
127.11221	1.3
129.07033	2.0
131.08568	23.7
133.10107	13.3
135.08069	2.0
135.11688	24.8
137.05956	3.6
137.09598	3.2
137.13199	7.2
145.10109	21.6
147.11678	13.5
149.09596	2.6
149.13254	26.6
151.14848	4.1
153.12730	2.6
154.12302	3.9
155.12520	2.7
157.10162	1.5
159.11688	16.6
161.13280	13.3
163.07600	1.7
163.11169	2.4
163.14830	17.9
165.12727	1.5
171.11737	1.9
172.13348	1.7
173.13257	22.4
175.14824	4.9
177.12773	2.7
177.16414	9.5
179.14326	1.3
187.14838	10.6
191.14313	2.2
201.16399	3.6
205.16019	1.6
205.56351	1.3
215.17996	2.8
223.14975	1.2
233.22676	8.4
243.21075	46.2
244.21429	2.2
261.22137	100.0
262.22375	2.9
263.23721	1.6
276.20401	1.3
279.23239	3.8
294.24115	1.4
327.31891	1.2
335.25931	9.2
349.15900	1.1
353.10211	2.0
353.17645	1.5
353.26715	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	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.5
67.05489	0.8
69.07065	0.9
70.71783	1.0
78.71505	0.3
79.05502	0.6
80.05002	0.9
81.07056	0.9
83.08624	0.4
91.05465	0.7
93.07052	0.7
94.06590	0.4
95.08608	0.7
97.10175	0.4
105.07018	1.0
107.08535	0.5
108.08923	0.4
109.10150	0.7
117.07062	0.5
119.08592	0.5
121.10137	0.5
133.10194	0.4
137.05959	1.1
151.03918	0.8
159.11736	0.3
163.11069	0.5
215.11220	0.7
233.12370	0.5
253.12849	0.4
271.13864	0.4
276.20410	0.6
292.22678	0.4
293.22998	1.4
294.24420	0.6
318.16940	0.4
321.07480	0.3
335.21112	0.8
353.22964	100.0
354.14368	1.6
354.23026	3.0
354.26947	0.5
371.22827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46161	2.1
55.01868	3.1
55.05490	3.8
56.96548	2.3
57.03424	2.7
57.07048	2.1
61.02926	3.2
64.69164	1.7
66.15071	1.6
67.05491	7.5
69.03427	25.0
69.07063	16.6
70.06568	8.0
71.04984	3.8
71.49226	3.9
74.02458	2.0
77.17002	1.7
79.05478	6.5
81.03409	8.0
81.07070	9.3
82.15283	1.7
83.04954	4.9
83.08609	3.0
84.04497	5.0
84.08121	2.9
85.02418	2.4
85.02898	18.7
85.06541	4.3
86.09689	4.1
87.04453	3.9
91.05462	5.4
93.07034	7.8
95.04951	4.3
95.08617	10.9
97.02890	6.8
97.06516	5.3
98.97605	2.5
99.04455	3.9
105.07013	7.2
107.04931	4.9
107.08595	13.7
109.02847	4.1
109.06491	4.0
109.10162	2.4
110.07100	2.0
111.04397	2.2
111.08108	4.1
116.07091	2.3
119.04923	3.3
119.08560	6.5
121.06489	3.6
121.10159	11.8
122.07184	1.8
123.00836	1.9
123.04421	3.3
123.08029	5.0
127.03889	6.1
129.06987	2.7
130.04965	3.9
131.08559	9.9
133.06522	2.4
133.10117	10.1
134.05975	1.8
135.08049	15.4
135.11678	4.4
137.06018	4.2
139.03929	2.3
145.05011	2.5
145.06317	2.9
145.10147	4.4
147.04384	5.9
147.08057	3.0
147.09140	6.8
147.11682	2.1
148.17993	1.8
149.09618	8.5
149.13252	4.1
151.03969	5.0
152.07133	2.0
157.12254	2.3
158.10873	4.9
158.99696	2.1
159.09204	2.9
162.05518	3.1
167.07196	1.9
169.01334	2.8
173.07126	3.6
173.10779	3.2
173.13242	18.4
175.08722	11.2
175.14790	2.0
177.05479	2.3
179.03401	7.1
191.08202	10.2
191.14310	100.0
201.10233	8.1
215.14207	2.1
261.22064	2.2
275.27164	1.7
309.14325	4.6
335.12000	2.6
353.13403	23.6
353.19910	11.3
374.04175	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01857	0.8
55.05513	2.7
57.03415	1.8
57.07070	0.9
61.02912	0.9
66.18578	0.4
67.05487	1.4
69.03429	16.7
69.03806	0.9
69.07071	12.5
70.06573	1.1
71.01335	0.5
71.04980	1.3
71.57710	0.6
73.02907	0.7
79.05498	2.8
81.03421	2.3
81.06647	0.6
81.07060	7.1
83.04975	3.3
83.08614	2.4
84.04475	0.6
84.08108	0.7
85.02896	5.4
85.06532	2.0
88.70840	0.4
91.05468	3.5
93.07032	4.6
95.04940	1.0
95.08606	6.4
95.09174	0.9
97.02908	2.2
97.06505	1.6
99.04438	1.8
99.08065	1.4
101.02316	0.5
102.14112	0.4
105.07037	4.4
107.04944	0.6
107.08600	12.5
109.02880	1.1
109.06511	5.1
109.10125	1.3
111.04380	0.5
111.08076	5.5
115.05518	0.5
117.07068	0.9
119.08573	5.9
121.06494	3.6
121.09325	0.6
121.10139	8.4
123.04411	0.6
123.08067	4.9
123.11721	0.4
125.09647	2.0
127.03924	3.6
127.22358	0.4
129.06996	1.1
130.04942	0.5
131.08569	7.1
133.10132	8.4
135.08055	15.2
135.11685	4.5
137.05977	1.0
137.09613	1.5
143.08537	1.9
145.04951	0.9
145.10126	3.5
147.04427	0.5
147.11681	3.7
149.09618	9.3
149.13220	3.1
150.10358	0.8
151.03874	0.5
155.14334	0.6
158.10910	3.1
161.09589	1.0
161.13271	0.5
163.07564	0.5
163.11212	0.8
163.14821	7.1
171.11662	1.0
173.13266	16.8
175.07593	0.4
175.11250	0.6
175.14848	2.9
187.28842	0.5
191.14305	100.0
192.14677	2.0
204.10255	0.6
209.15364	5.2
210.04233	0.5
215.14375	0.5
299.16479	0.4
335.18552	1.1
353.19592	16.3
354.19913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
53.22505	1.9
62.09624	1.5
68.94173	1.7
69.79355	8.8
80.20033	1.8
85.02898	3.3
101.43038	1.9
147.79878	1.9
178.49020	1.9
182.22565	1.8
258.84433	1.9
324.68738	2.2
353.08463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
51.18005	3.7
52.37881	4.6
56.96561	6.1
61.80667	3.9
62.23971	4.0
65.03954	4.9
67.05503	8.1
67.08353	4.1
68.99809	5.3
69.03432	16.4
69.07071	32.0
70.06593	11.5
71.58665	5.7
71.59045	4.6
72.08150	7.4
81.03431	7.4
81.07033	5.3
83.04990	10.8
84.04493	9.5
84.08127	5.0
85.02911	30.2
87.00829	13.0
87.08113	21.1
91.05497	4.7
93.07071	6.8
95.04980	6.1
97.02886	16.6
97.06565	4.7
98.97593	5.2
105.01881	10.7
105.09154	9.7
105.70061	4.3
107.04987	4.9
109.02885	5.5
109.94183	4.6
110.07162	8.9
111.04446	6.0
121.65995	4.8
123.04420	15.2
125.40414	4.5
127.03907	12.4
133.02875	7.0
137.06003	7.0
143.90225	4.4
145.04887	5.9
147.04410	15.0
151.03972	7.7
161.02435	3.8
177.05624	4.2
179.03461	13.6
185.04243	50.0
191.03198	8.6
301.15244	5.1
335.12360	9.1
353.08441	100.0
353.12527	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	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
55.05513	15.7
56.05034	4.0
57.03431	2.1
58.06590	3.5
58.75035	1.6
59.12010	1.7
60.04535	13.2
66.74861	1.6
67.05511	30.0
69.06724	2.1
69.07075	30.6
69.30779	19.3
70.06589	4.2
71.04988	1.8
79.05498	22.9
80.05029	27.8
81.07060	27.3
82.06578	2.9
83.04980	2.2
83.08616	7.6
85.04788	1.6
91.05492	24.4
93.05792	3.1
93.07051	23.9
94.06579	13.6
94.07080	1.8
94.07374	1.7
95.04961	7.2
95.08607	20.1
96.08139	2.5
97.06551	3.1
97.10162	5.4
105.07027	25.5
106.06567	2.4
107.04958	3.8
107.08602	22.8
108.08148	8.3
109.06516	2.6
109.10174	8.1
117.07029	6.6
119.08592	17.7
120.08103	3.0
121.06500	4.9
121.10196	9.1
122.09660	2.4
123.11679	1.9
124.11202	2.3
125.09634	3.9
129.06987	1.9
131.08574	10.1
132.08003	2.1
133.10146	17.0
134.09608	2.2
135.11682	5.1
136.11160	3.1
137.09589	3.1
143.08517	3.6
145.10107	7.7
147.11707	11.8
148.11150	2.0
149.09653	3.9
154.12262	9.1
159.11682	7.9
161.13271	3.6
162.12787	4.1
163.11168	4.8
168.13872	2.3
172.13405	3.1
173.13275	4.9
176.14325	3.2
177.12776	7.3
180.13750	2.1
185.13240	2.0
189.11186	2.7
192.13800	4.8
196.13341	3.1
204.13786	17.6
205.14108	2.1
206.15462	4.9
210.14900	5.1
222.14893	26.1
223.15625	4.9
224.16400	5.4
226.14430	2.1
236.16521	3.6
257.18970	10.4
260.21030	1.9
272.20096	3.6
274.21661	21.6
275.20078	40.5
290.21124	6.2
292.22729	91.6
293.20975	4.4
310.23599	3.2
316.22617	5.0
334.23792	20.0
352.24887	100.0
353.10193	5.1
353.25070	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	352.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
53.92209	1.3
55.01861	3.0
55.05511	14.8
56.05019	5.7
56.96575	1.5
57.03436	3.3
58.06600	2.5
60.04523	11.0
67.05504	28.6
68.05013	2.1
69.03423	2.2
69.06722	2.5
69.07066	29.5
70.06577	4.7
71.04980	2.1
71.32180	1.6
71.32499	1.9
79.05491	24.4
80.05020	27.8
80.05765	1.7
81.03421	3.9
81.07054	30.2
82.06573	2.5
83.04956	2.4
83.08627	8.2
84.08151	2.5
91.01392	1.3
91.05486	24.1
93.05807	2.5
93.07038	20.0
94.06570	14.1
94.07354	2.1
95.04995	7.7
95.07353	3.9
95.08601	22.5
96.08132	2.6
97.06538	3.7
97.10162	5.6
99.08096	1.8
105.07031	26.1
106.06541	4.1
107.04946	2.3
107.08595	22.2
107.43774	1.8
108.08115	8.6
109.06510	3.0
109.10164	10.4
111.08030	1.8
117.07008	4.6
119.08588	19.0
120.08092	4.7
121.06527	2.1
121.10131	7.4
122.09653	2.2
123.11710	1.6
124.11149	1.8
125.09618	3.8
129.06982	1.9
131.08565	8.6
133.10123	18.7
134.09616	2.1
135.08115	1.9
135.11682	5.9
136.11197	3.4
137.05934	2.1
137.09612	3.5
143.08530	3.1
143.79439	1.4
145.10136	7.9
147.11673	10.2
148.11197	3.5
149.09647	3.1
149.13280	2.8
154.12286	6.2
157.10144	2.3
159.11664	8.1
161.13246	7.3
162.12756	2.2
163.11191	3.8
164.14359	2.0
171.11778	2.9
172.13283	3.3
173.11830	2.0
173.13283	3.8
175.11284	1.6
176.14388	2.9
177.12761	6.2
178.12204	1.5
179.14281	1.5
180.13765	2.5
189.11200	2.6
192.13818	2.8
196.13281	2.3
204.13838	20.9
206.15428	5.2
208.13312	1.9
210.14937	5.3
218.15474	2.2
222.14877	30.2
223.15585	3.2
224.16428	4.2
236.16408	3.4
257.16724	2.2
257.18976	10.5
260.20764	1.9
272.20215	3.3
274.21646	22.2
275.20056	49.5
276.20444	2.4
290.21155	6.2
292.22711	92.7
293.21063	2.7
316.22745	5.5
321.55423	1.4
334.23779	20.2
335.24268	1.5
352.24872	100.0
353.10056	4.2
353.25119	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01870	6.0
55.05510	4.1
57.03441	8.2
59.54708	1.5
61.02918	6.5
67.05521	2.8
68.99809	2.6
69.03432	34.6
69.07069	92.0
70.06609	3.8
71.04996	3.8
71.58799	2.6
71.91985	1.7
72.08160	11.7
73.02917	6.3
75.79993	1.6
81.03426	19.3
81.07056	4.7
83.04960	4.2
84.04498	3.1
84.08147	2.5
85.02905	93.3
85.06537	3.2
86.09726	15.5
87.00834	42.3
91.05473	4.6
93.07058	2.9
95.04958	2.1
95.08617	4.0
97.02893	56.4
98.97638	1.8
99.04443	14.7
99.08105	3.4
105.01868	100.0
108.04523	3.8
109.02889	26.0
109.06539	2.3
109.10178	5.2
119.04948	2.0
120.08115	5.1
121.06483	2.0
123.04434	3.0
127.03915	86.4
128.04239	3.3
129.01833	2.9
131.04935	4.9
131.08597	2.5
136.06151	5.0
136.07597	4.2
137.05992	4.0
137.09604	3.8
145.04958	61.7
147.03004	2.5
147.04416	8.9
148.04805	4.2
155.10645	5.2
155.14293	1.9
159.02885	11.3
159.11365	2.3
160.96939	1.8
166.08635	3.8
173.11749	2.3
177.09164	3.5
193.09717	2.1
194.94055	1.7
213.03880	3.0
220.11760	3.6
220.13684	2.3
231.05003	38.5
231.07225	2.5
248.07620	1.9
249.06113	25.3
253.11862	3.7
263.07214	2.8
284.09628	2.6
352.13986	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14475	4.2
53.03948	5.4
55.01871	9.2
55.30977	4.6
57.03428	4.6
67.01854	4.8
67.05503	11.9
67.68758	3.9
69.03438	34.4
69.07075	38.9
69.82172	25.2
70.06588	8.7
71.04987	12.3
72.08176	5.1
73.02918	5.6
79.05496	8.4
81.03417	27.1
81.07069	20.2
83.04979	4.6
84.04507	7.9
84.08096	4.2
85.02907	100.0
85.06565	6.7
86.09722	6.3
87.00836	35.3
91.05483	16.2
93.07042	13.9
95.04986	9.0
95.08594	7.8
97.02896	44.0
97.06538	9.6
99.04460	12.6
105.01864	74.1
105.07004	8.6
107.05002	3.7
107.08623	10.4
108.04485	5.4
109.02895	32.0
109.10166	6.7
111.08089	10.8
115.03983	6.4
117.01840	5.1
117.07049	5.0
119.04941	7.0
119.08585	7.5
121.06506	6.2
127.03927	88.8
131.04948	7.0
131.08582	9.6
135.08057	6.3
137.06013	9.9
145.04956	43.9
145.10159	5.3
147.02974	4.5
147.04417	33.2
147.08054	6.1
148.04767	32.3
149.09624	6.0
151.03935	8.1
151.07643	4.9
153.09106	12.3
155.10548	4.9
159.02919	15.1
164.07069	5.0
165.09105	4.8
169.01317	6.5
177.09114	10.7
189.03976	6.0
195.10172	27.0
231.04948	23.4
249.06116	13.4
281.10400	6.2
334.16806	7.8
352.15115	7.4
353.15207	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01863	2.9
55.05510	18.5
57.03442	10.1
57.07063	3.9
65.03951	3.2
67.05503	53.0
69.03416	2.3
69.07066	16.9
70.06586	1.5
71.04991	3.6
71.08627	14.7
75.04468	2.0
77.21419	1.2
79.05489	57.1
80.05022	2.1
81.03399	3.9
81.07055	55.7
82.07373	1.5
83.04965	5.3
83.08627	8.9
85.06528	5.8
91.04907	2.2
91.05479	44.1
93.07043	75.2
94.07378	2.1
95.04967	8.0
95.08606	38.9
97.02872	2.8
97.06525	6.6
97.10178	6.7
99.08096	16.8
105.07022	49.0
106.07349	2.0
107.04942	4.3
107.08589	50.7
109.06500	4.6
109.10157	15.8
110.95379	1.3
111.08081	3.6
113.09621	2.3
117.07008	10.8
117.36868	1.2
119.04962	6.1
119.08578	44.3
120.08930	1.6
121.10139	38.2
123.08060	1.3
123.11697	5.4
125.09631	4.6
127.03902	1.6
128.06252	1.8
128.31076	1.4
129.07014	8.9
131.08568	17.7
132.10294	1.6
133.10118	38.7
135.08044	3.7
135.10693	2.7
135.11693	36.6
143.08566	9.4
145.10117	20.2
147.04411	28.7
147.11688	35.8
149.09599	2.6
149.13249	23.9
151.11182	8.0
157.10139	8.5
158.29097	1.3
159.11681	15.0
161.09610	1.7
161.11967	2.3
161.13252	30.5
162.13660	2.1
163.11246	6.5
163.14844	6.7
165.12740	1.5
171.11702	10.8
173.13225	9.4
175.11226	3.2
175.14847	14.5
177.12743	4.9
179.14287	4.5
185.13246	9.9
187.07600	2.0
187.14803	1.9
189.11238	2.4
189.12805	3.0
189.16414	1.8
195.13773	1.5
199.14835	5.2
203.14285	2.0
213.16338	2.5
217.15791	2.4
217.19530	4.3
231.17415	1.9
231.21115	6.8
241.19510	30.0
259.20572	77.6
260.20859	2.6
275.20200	1.7
277.18271	2.2
277.21606	27.0
292.22678	4.0
305.08337	1.9
333.24170	9.3
349.29572	1.6
351.21280	15.0
351.25256	100.0
352.25156	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01863	4.0
55.05513	21.7
56.96558	2.1
57.03439	17.3
57.07060	5.1
65.03952	2.0
67.05505	61.1
69.06734	1.3
69.07073	19.2
71.04982	2.9
71.08632	63.5
77.03501	1.3
79.05492	55.8
80.27561	1.2
81.03423	8.0
81.07056	71.6
82.07393	1.7
83.04988	10.9
83.08614	13.4
85.06538	5.4
91.05483	38.3
93.07049	64.4
95.04969	15.1
95.08609	47.8
97.06533	9.7
97.10159	6.0
98.20718	3.2
99.08094	37.9
105.07027	29.6
105.07680	2.3
105.49588	1.2
107.04958	8.0
107.07869	2.1
107.08595	41.1
109.06534	5.2
109.10156	22.8
111.08079	2.7
113.09643	3.0
117.07011	9.3
119.07784	2.2
119.08585	26.2
121.06528	2.3
121.10149	32.0
123.08099	3.3
123.11676	2.2
125.09669	1.4
127.11158	2.1
129.06996	3.7
131.08546	9.0
133.06439	1.7
133.10135	19.3
135.08110	2.7
135.11699	39.7
137.09615	6.5
139.11183	2.2
141.09122	3.3
143.08560	5.4
145.10153	7.2
147.04427	3.2
147.11696	14.9
149.09676	1.7
149.13255	15.9
150.12801	1.5
151.11172	24.3
153.12804	3.4
157.10139	4.3
159.11711	7.9
161.09660	2.2
161.13258	16.6
163.11206	7.1
163.14824	3.9
165.12767	3.2
167.10713	4.2
171.11665	6.6
173.13266	3.7
175.14828	4.4
177.12810	6.7
179.14314	100.0
180.14615	1.5
181.12088	1.4
185.13330	5.1
187.14870	1.4
189.11211	1.6
189.12677	2.0
191.14160	1.3
192.06738	1.3
194.15424	2.2
195.13760	2.8
199.14922	2.4
208.13316	1.5
212.16498	2.7
221.15361	2.4
229.52208	1.8
231.21266	1.9
235.16966	6.7
240.05722	1.5
241.19504	6.2
252.43100	1.7
259.20551	19.0
277.21649	46.1
287.53998	1.9
292.22675	9.2
293.21078	8.8
301.53870	1.8
310.23898	2.6
315.72409	1.5
333.24384	3.0
334.24149	1.9
339.06165	3.7
348.06619	2.8
348.56793	1.9
351.25339	75.1
352.24927	23.5
371.08008	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61283	2.6
53.03922	4.2
55.05520	19.2
57.03428	10.4
57.07067	4.9
61.02916	6.9
65.03947	3.1
67.05508	48.4
69.07065	18.3
69.83615	18.8
75.63808	2.7
79.05495	62.8
81.07065	54.8
83.08624	8.8
85.02898	5.1
85.06573	4.1
91.05481	49.5
93.07041	88.7
95.04955	7.4
95.08610	43.8
97.02908	4.5
97.06524	3.0
97.10084	3.0
98.20801	4.4
99.08088	6.0
105.07028	55.1
107.08607	47.1
109.06522	6.5
109.10191	18.5
117.07044	11.5
119.01865	3.5
119.08580	50.9
121.10146	36.4
123.08088	3.7
128.06311	2.8
129.06996	11.7
131.08568	20.5
133.10133	47.6
133.14890	3.6
135.11693	42.9
137.33310	2.7
143.08542	8.6
145.10139	22.8
147.04401	10.1
147.11699	45.9
149.13255	22.4
157.10167	11.0
159.11699	20.7
161.13271	38.5
163.14847	7.7
171.11748	10.8
173.13252	12.0
175.14841	17.2
185.13246	10.4
187.14903	4.2
189.12767	3.6
199.14839	8.8
231.21039	7.3
241.19557	29.8
259.20584	100.0
260.20966	6.3
270.14816	3.2
277.21481	7.9
315.23438	3.5
333.24240	5.4
350.67621	3.6
351.25345	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.4
51.39375	2.5
51.47289	2.4
53.03930	5.9
55.01860	6.4
55.05512	28.0
57.03443	23.9
57.07064	2.3
59.40178	2.5
60.04520	2.3
65.03941	4.0
67.05505	62.2
69.07066	24.3
71.04993	5.3
71.08626	21.0
71.13373	5.2
71.13715	4.2
71.16682	2.2
74.23371	2.2
79.05491	56.8
80.05029	2.7
81.03397	10.3
81.06585	3.2
81.07056	64.5
83.04970	9.2
83.08617	15.3
85.06540	7.4
91.05482	39.5
93.06475	4.1
93.07046	73.5
94.06577	3.0
95.04985	14.1
95.05463	2.7
95.08604	44.6
97.06522	7.8
97.10155	6.7
99.08091	19.2
105.06384	3.8
105.07030	42.3
107.04929	3.5
107.08585	53.7
109.06493	5.4
109.10145	23.1
111.08096	3.0
113.09629	3.7
117.07014	10.4
119.04923	2.3
119.08581	35.5
121.06496	4.6
121.10140	34.4
123.08048	4.8
123.11743	5.9
123.25710	2.3
125.09627	10.5
129.06963	5.8
131.08568	14.2
133.09248	3.2
133.10139	40.5
135.08011	2.2
135.11688	34.6
137.05928	3.7
137.09615	3.7
143.08531	5.3
145.10126	19.7
147.04404	7.9
147.11696	28.1
149.02324	4.2
149.09520	4.0
149.13232	19.7
151.11192	14.7
157.10089	8.2
159.11700	13.7
161.09644	3.6
161.13255	24.6
163.11119	10.8
163.14772	8.4
165.12791	3.9
171.11670	11.6
173.13254	7.7
175.11160	3.6
175.14792	11.4
177.12657	3.0
179.14276	11.4
185.13219	14.8
187.14822	5.9
189.11259	2.6
193.05009	4.3
199.14915	4.3
203.65565	3.3
207.13680	3.1
213.16383	3.2
217.19363	2.6
222.14777	2.9
231.21056	9.7
241.19518	23.9
257.19009	2.6
259.20563	51.1
274.21579	3.2
275.20029	6.8
277.18842	2.9
277.21652	40.9
280.19098	2.3
281.62903	2.1
292.22672	11.0
333.23969	3.8
334.23691	3.7
351.11407	4.0
351.21512	4.3
351.25250	100.0
352.25049	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.4
56.96558	4.5
57.03442	11.2
57.07082	3.5
67.05513	39.7
68.36931	1.9
69.07063	14.5
70.71578	4.7
70.71965	4.5
71.04986	2.9
79.05061	3.4
79.05500	52.6
81.07065	47.4
83.04977	3.3
83.08617	8.7
85.06530	2.3
91.05483	46.5
93.07051	77.8
95.04993	6.4
95.08607	30.4
97.06514	3.3
97.10184	2.6
99.08084	4.6
105.07030	41.1
107.08602	42.9
109.06549	4.6
109.10169	16.2
111.08083	2.6
113.09646	2.0
117.05508	4.2
117.07021	9.5
119.08594	41.3
119.09439	2.0
121.10146	38.0
123.11731	2.6
128.06236	2.9
129.07013	5.6
131.08577	18.5
131.93385	2.1
133.10138	43.1
135.08150	2.5
135.11710	38.1
143.08588	7.8
145.10144	20.2
147.04413	4.9
147.11697	42.6
149.09630	3.0
149.13283	21.4
157.10173	9.3
159.11671	18.7
161.13249	31.2
163.11191	3.3
163.14850	4.4
171.11720	11.1
173.13307	12.9
175.14795	13.2
177.12839	3.4
185.13286	12.6
187.14786	2.7
189.16457	2.4
199.14842	8.0
213.16312	4.4
213.93645	2.4
217.19522	2.4
229.07614	3.2
231.21146	6.7
241.19534	32.8
247.08600	2.9
259.20590	100.0
260.20935	3.4
277.21671	11.7
311.17807	2.2
312.29941	2.2
333.17395	2.2
333.24347	8.9
351.18713	4.7
351.25354	86.2
352.25681	6.4
369.19537	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01859	8.7
55.05508	30.9
55.20573	2.4
56.96557	11.0
57.03434	19.6
57.07075	3.5
58.56069	2.3
67.05173	4.1
67.05504	55.9
69.07071	32.6
70.04060	2.6
71.04988	5.3
71.08630	17.4
71.30441	5.9
79.05077	2.5
79.05498	43.3
80.05028	2.6
81.03407	4.9
81.07053	68.0
83.04961	7.9
83.08620	18.6
85.06548	4.9
85.10075	2.2
91.05475	43.5
93.07040	67.2
95.04959	11.2
95.08042	4.4
95.08603	46.7
97.06546	12.2
97.10166	4.1
99.08092	21.6
105.06385	3.3
105.07029	41.1
107.04934	6.9
107.08598	43.8
109.06539	4.4
109.10149	18.7
111.08080	6.8
112.50186	2.8
117.07009	9.8
119.08556	30.3
121.06463	2.9
121.10146	26.8
123.08025	4.4
123.11686	4.6
125.09641	4.5
129.06958	6.2
131.08531	8.7
133.10124	27.6
135.07994	3.3
135.11679	29.5
137.06007	5.2
137.09636	7.2
139.11150	3.4
143.08508	5.0
145.10152	11.5
147.04439	4.1
147.11690	26.6
149.13272	13.0
151.11151	9.7
154.12173	2.5
155.57826	2.2
157.10118	7.9
159.11690	11.0
161.13281	18.6
163.11134	4.1
163.14752	5.3
165.12732	7.2
171.11711	7.5
173.13249	6.6
175.14766	9.0
179.14320	29.1
185.13274	7.1
187.14735	3.4
189.12816	4.4
221.15587	2.7
231.21046	5.5
235.16959	3.8
237.00804	2.8
241.19510	10.9
243.09047	6.0
259.20605	40.6
260.20758	2.7
261.10117	3.5
265.10986	2.9
277.21664	35.9
278.21878	2.8
292.22754	4.7
315.22379	2.8
333.17194	14.8
333.24078	3.8
338.82550	3.0
351.18469	40.9
351.25247	100.0
352.19125	2.3
352.25027	10.0
369.19421	16.3
374.20102	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73384	1.1
53.03938	3.2
55.01875	3.0
55.05263	2.0
55.05513	25.2
55.73282	1.2
57.03180	1.6
57.03436	13.6
57.07076	4.7
58.89756	1.3
61.02929	2.6
64.99416	1.2
65.03946	1.9
67.05508	59.7
68.05812	1.2
69.03429	3.0
69.07072	24.3
69.94733	5.9
71.04987	3.9
71.08634	47.0
74.29516	1.1
79.05501	51.9
81.03423	7.4
81.07061	62.3
83.04993	8.1
83.08624	11.6
85.02895	1.8
85.06539	4.0
86.83857	1.2
91.03937	1.9
91.05481	37.0
93.07048	66.5
95.04984	15.3
95.08611	44.2
97.02912	2.1
97.06545	10.8
97.10174	3.8
98.20774	2.3
99.04477	1.2
99.08094	37.0
102.35080	1.1
105.07037	33.2
106.27412	1.2
107.04933	6.8
107.08601	39.4
109.06535	6.6
109.10155	19.5
111.08100	3.4
111.11668	1.3
113.09640	4.5
117.07034	6.9
119.08584	26.1
121.06523	2.7
121.10144	38.4
123.08084	3.3
123.11723	5.1
125.09644	3.1
125.53954	1.3
127.11294	1.8
129.06992	4.8
131.08560	10.6
133.03471	1.4
133.10130	23.2
135.08109	2.9
135.11696	43.5
137.09630	4.5
139.11177	2.3
141.09135	3.7
143.08580	3.7
145.10115	8.3
147.04431	2.0
147.11688	19.3
149.09650	3.2
149.13258	16.9
151.11188	19.2
153.12732	2.6
154.12349	1.5
157.10162	4.9
159.11697	8.4
161.13260	19.9
163.11188	6.8
163.14830	5.0
165.12817	6.0
167.10698	2.3
171.11708	5.8
173.13254	4.7
175.11217	1.9
175.14815	6.5
177.12735	5.0
179.14320	92.6
180.14708	1.8
185.13287	5.3
189.12808	2.6
193.15900	1.3
195.13884	2.9
199.14883	3.4
201.06192	1.3
203.14215	1.8
207.13853	1.4
213.16411	2.5
217.19467	1.4
221.15424	3.8
231.17381	1.6
231.21136	3.8
235.16974	5.2
241.19572	12.2
259.20572	36.2
270.15598	2.1
271.80487	1.2
277.21637	50.3
313.40723	1.2
321.22629	3.0
333.24207	3.7
351.18384	2.6
351.25330	100.0
351.68451	1.5
352.25250	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01857	4.3
55.05506	14.0
56.96539	2.6
57.03427	7.0
57.07064	3.8
65.03919	2.7
67.05177	3.3
67.05505	49.9
68.36939	2.1
69.03390	2.6
69.07062	18.1
70.58221	2.2
70.58575	7.7
71.04995	4.7
75.04477	3.3
79.05065	3.9
79.05495	57.2
80.05008	2.2
81.07056	50.0
83.04993	2.4
83.08610	7.4
85.06543	4.6
91.05478	58.2
92.66743	1.9
93.07044	74.9
95.04963	7.7
95.08606	35.5
97.06523	3.9
97.10153	4.6
98.21433	2.7
99.08064	3.5
105.07024	60.9
105.07687	4.2
106.46361	2.1
107.08595	46.4
109.06496	4.4
109.10165	13.6
113.09682	2.7
115.05432	2.3
117.07008	14.1
119.08575	50.0
120.08914	3.4
121.06532	2.2
121.10141	34.5
123.54681	2.1
128.06207	3.1
129.07011	11.3
131.08565	20.1
133.10130	47.1
135.11688	34.0
137.09634	3.0
143.08533	11.5
145.10129	21.4
147.04427	10.6
147.11688	50.0
149.09592	3.9
149.13264	20.1
157.10162	10.9
159.11705	18.4
161.13266	34.1
163.11183	2.2
163.14818	8.4
171.11732	13.3
173.13272	10.8
175.11082	2.9
175.14859	21.1
177.12653	3.6
185.13257	15.8
187.14801	3.4
189.12698	2.7
191.14316	2.6
199.14752	7.4
203.14342	2.3
213.16370	6.0
217.19548	3.5
231.17484	2.6
231.21104	10.2
240.48032	2.0
241.19531	34.9
259.20575	100.0
260.20767	2.8
277.21555	8.4
292.22885	2.4
301.12653	2.2
333.24271	4.0
351.12030	3.4
351.21365	17.4
351.25262	87.6
352.25146	10.0
363.57898	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03283	2.1
53.03926	2.6
55.05511	13.9
57.03429	4.8
57.07077	3.7
61.87965	2.0
67.05174	3.1
67.05510	37.7
69.07085	11.1
70.76987	5.6
70.77322	3.2
77.03957	2.7
79.05056	3.8
79.05489	49.3
81.07058	46.4
81.38813	2.6
83.08605	7.3
85.06532	3.2
85.59413	1.9
91.05482	53.6
92.16100	2.1
93.06471	4.7
93.07044	74.3
95.04948	5.4
95.08610	24.7
95.09178	3.4
99.08101	4.8
105.07031	56.5
107.08595	41.6
109.10159	14.7
113.09624	3.0
117.07019	14.4
119.08575	51.1
121.10139	27.6
123.11708	2.2
129.06998	8.1
131.08560	17.1
133.10138	50.5
135.11679	33.1
135.36296	2.4
139.63861	2.3
143.08560	11.9
145.10118	21.6
147.11702	44.7
149.13260	21.1
151.11191	3.1
157.10129	8.3
159.11700	20.8
161.13268	38.4
163.11185	2.4
163.14772	7.6
171.11723	16.3
173.13274	8.7
175.14868	14.3
177.12825	4.4
179.14314	3.5
185.13260	15.7
190.03055	2.2
199.14810	6.6
203.14249	2.8
205.18637	2.5
231.21104	10.9
241.19508	33.8
259.20584	100.0
260.20746	2.6
277.21722	2.5
333.24442	2.7
335.87180	2.2
351.25272	81.5
352.25409	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74990	1.9
53.90299	1.9
55.05514	13.6
55.78120	2.0
57.03431	7.9
57.07061	2.9
67.05505	35.9
69.07063	13.7
69.37791	1.9
69.38094	19.9
71.08654	3.4
75.04485	2.7
79.05498	57.1
81.07059	52.1
83.04984	3.8
83.08610	6.8
85.06548	4.3
91.05488	44.7
93.06470	4.8
93.07048	78.8
93.07636	4.4
95.04956	4.9
95.08614	33.5
97.06523	3.9
97.10193	2.7
99.08077	3.3
105.07037	51.5
107.08604	48.7
109.06487	2.7
109.10159	12.0
115.05420	3.3
117.07026	8.9
119.08585	40.1
121.10152	38.9
123.11699	3.5
129.07021	7.3
131.08578	19.6
133.10136	45.3
135.11693	36.7
143.08569	9.2
145.10139	13.7
147.04407	3.3
147.11697	43.2
149.09543	2.5
149.13277	23.4
151.11226	3.1
157.10213	10.9
159.11722	16.9
161.13268	38.7
163.11122	2.8
163.14827	9.8
165.12846	2.3
171.11684	12.1
173.13286	8.7
175.11201	2.3
175.14827	16.9
177.12769	3.7
179.14354	3.3
185.13245	12.5
187.14940	2.4
189.12819	2.2
191.14366	2.1
199.14827	7.5
213.16411	4.2
215.17912	2.2
217.19560	6.0
231.17403	3.7
231.21066	10.3
241.19495	38.0
259.20581	98.9
260.20950	4.4
264.10300	3.4
275.77002	2.2
277.21606	15.1
333.24313	8.5
351.25342	100.0
352.25272	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01891	2.7
55.05305	1.7
55.05515	20.1
57.03172	1.7
57.03435	9.0
57.07066	3.0
62.72472	1.8
63.41951	1.5
65.03926	2.4
67.05503	52.2
69.03426	2.1
69.07067	21.3
71.04983	4.4
71.08625	2.0
71.16820	2.0
71.17162	3.1
75.04485	2.9
79.05495	70.3
80.05830	1.8
80.99939	1.6
81.07059	60.6
83.04967	3.4
83.08620	7.1
85.06553	4.3
91.05489	49.2
92.05809	1.7
93.07047	98.9
94.07385	1.9
95.04954	6.2
95.08617	38.9
97.06537	3.6
97.10151	4.7
99.08098	4.2
105.07030	56.1
106.07338	2.9
107.07861	3.2
107.08600	56.3
109.06481	2.9
109.10165	15.8
111.08096	2.2
111.11742	2.5
113.09700	2.0
117.07030	12.9
118.98032	2.2
119.04970	2.3
119.08587	58.7
121.06499	3.5
121.10141	50.5
123.08089	2.1
123.11652	3.7
127.11117	1.9
129.05443	1.6
129.07019	9.9
131.08580	21.8
133.10141	48.1
135.08093	3.7
135.11697	43.9
137.05939	1.9
137.09572	1.9
142.98016	4.1
143.08543	10.6
145.10126	25.1
147.04410	8.6
147.08054	2.1
147.11696	52.3
147.65494	2.0
148.11951	3.3
149.09639	3.5
149.13268	27.4
151.11162	2.7
156.99527	2.5
157.10135	7.5
159.11700	17.9
161.09694	2.8
161.13261	36.7
163.11195	5.5
163.14827	10.1
171.01106	2.3
171.11678	13.5
173.13266	8.7
175.14842	16.1
176.98550	3.0
177.12714	2.4
179.01620	4.0
185.13257	12.8
186.98332	2.1
187.14758	2.7
189.12714	2.2
191.07095	1.7
191.14258	2.6
199.14839	6.5
200.18578	2.1
203.14455	3.4
213.02118	1.9
213.16412	5.4
215.17780	1.8
217.15881	2.1
217.19521	4.5
218.87143	1.8
231.08057	2.8
231.17630	2.5
231.21077	10.4
241.19493	35.9
259.07617	5.8
259.20578	95.5
260.20938	6.4
260.90524	1.7
277.21631	17.2
289.08603	5.4
292.22757	3.3
302.05234	1.7
317.08023	6.9
333.24429	10.0
351.12854	11.8
351.21439	6.8
351.25308	100.0
352.12576	2.2
352.25314	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01862	1.5
55.05515	14.7
57.03438	9.4
57.07074	2.0
67.05506	44.0
69.07072	14.0
71.04587	3.0
71.04973	2.9
71.08586	1.5
75.04493	2.4
79.05495	57.2
81.07057	57.2
83.08614	7.0
85.06542	3.2
90.65221	1.2
91.02068	1.2
91.04895	1.9
91.05479	53.5
93.07047	89.9
95.04966	5.3
95.08609	40.8
95.09081	1.0
97.06531	3.6
97.10164	3.6
99.08092	4.8
105.07034	53.7
107.08599	53.0
108.08938	1.4
109.06544	1.8
109.10151	14.7
111.08063	1.8
113.09687	2.0
117.07013	12.7
119.08591	51.1
121.10146	45.5
123.08041	2.3
123.11722	4.9
128.06245	1.5
129.07024	8.1
131.08563	17.8
133.10133	46.3
135.08096	2.3
135.11697	45.3
137.09604	2.3
143.08560	8.6
145.10120	21.4
147.11690	44.5
149.09648	3.7
149.13261	28.5
151.11234	2.0
157.10109	9.6
159.11690	16.2
161.13245	37.7
163.11201	2.3
163.14806	7.9
171.11655	13.5
173.13261	11.1
175.11230	1.8
175.14813	17.3
177.12717	2.2
185.13283	15.6
187.14871	3.3
189.12749	2.8
189.16354	1.7
191.14226	2.1
199.14798	7.5
201.16417	1.6
203.14391	2.6
213.16393	4.1
217.19469	4.1
231.17406	2.5
231.21112	9.9
241.19511	39.6
242.19835	1.4
259.20584	100.0
260.20889	4.2
277.21686	17.0
333.24243	11.7
351.25293	99.7
352.25595	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17260	1.2
50.42902	1.6
53.03943	3.3
53.44024	1.2
55.05513	14.0
57.03431	9.5
57.07065	4.0
58.92324	1.2
61.55387	1.4
62.47415	1.2
65.03929	1.5
67.05505	43.0
68.05832	1.5
69.07068	15.2
69.85979	5.5
69.86386	2.5
71.04997	2.8
71.08629	3.1
75.04466	2.2
79.05494	58.7
80.05816	2.6
81.03407	1.5
81.07063	50.4
83.04985	2.7
83.08623	8.4
85.06557	3.3
91.05486	45.2
93.07045	72.7
94.07365	1.8
95.04941	6.6
95.08611	37.7
97.06526	3.4
97.10176	2.8
99.08088	6.7
103.05440	1.4
105.07037	51.2
107.04976	2.6
107.08599	44.1
108.08964	1.6
109.06520	4.2
109.10176	13.0
111.08046	1.6
113.09634	3.3
115.42889	1.7
117.07016	12.8
119.08584	48.3
121.10146	37.6
123.08031	1.6
123.11710	3.4
125.09598	2.0
128.06232	2.3
129.07019	7.4
131.08569	20.9
133.10138	41.8
134.10513	1.9
135.08034	1.7
135.11691	33.5
137.09642	2.6
142.07753	1.7
143.08563	9.5
145.10124	21.8
147.04414	3.8
147.11693	45.0
149.09583	3.2
149.13252	21.8
149.14359	1.9
151.11166	2.3
157.10114	9.1
159.11703	21.4
160.25064	1.3
161.13274	37.5
163.11191	2.5
163.14828	5.9
165.12724	1.9
171.11699	11.9
173.13268	9.9
175.11142	2.8
175.14851	17.6
177.12744	3.8
179.14281	2.2
180.12949	1.3
185.13257	14.8
187.14842	3.2
189.12691	2.6
191.14351	1.6
199.14760	7.0
203.14333	1.8
207.13741	1.4
211.88220	1.3
213.16437	4.0
215.18007	1.8
215.55591	1.4
217.15923	2.7
217.19539	5.0
231.17516	3.4
231.21132	7.8
241.19530	36.3
253.09409	1.7
259.20590	100.0
260.20981	4.1
275.20090	3.0
277.21616	19.0
315.08347	1.6
333.24341	9.4
351.21780	3.6
351.25317	89.1
352.25345	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2318
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03937	6.3
55.05507	16.2
57.07071	5.7
64.63171	5.2
66.16254	4.1
67.05514	28.3
69.07049	15.4
71.04990	6.9
71.58669	7.7
79.05479	24.0
81.07057	35.4
83.08627	8.5
87.04449	4.5
91.05485	32.7
91.05981	5.4
93.07043	44.1
95.04957	6.7
95.08607	45.0
97.06512	8.2
103.05424	5.0
105.07030	55.1
107.08596	45.6
109.06471	6.8
109.10143	34.4
111.08086	13.0
117.07001	13.3
119.04953	4.1
119.08583	60.2
121.06471	4.4
121.10146	63.5
123.08060	4.1
123.11713	11.3
129.07031	9.3
130.07744	4.5
131.08554	29.6
133.10144	41.7
135.08044	5.8
135.11697	24.1
136.13194	4.3
137.05978	18.7
141.06999	6.9
142.07767	9.5
143.08551	27.1
144.09303	5.5
145.10115	38.9
147.04414	12.4
147.11705	20.0
149.09660	7.4
149.13281	5.1
155.08536	7.5
156.09332	6.9
157.10172	28.0
158.10927	7.1
159.08104	9.0
159.11681	33.2
161.13255	15.2
163.11211	6.6
169.10081	11.4
171.11653	20.6
173.13234	22.3
174.10323	4.5
175.14812	7.1
179.08795	4.8
181.10100	8.5
183.11713	21.3
185.13289	13.7
187.14847	32.2
194.10928	4.9
195.11696	15.1
197.09784	4.0
197.13287	16.5
199.11136	5.1
199.14874	12.4
201.12755	6.3
209.13289	11.7
211.11148	13.0
211.14824	8.9
213.16257	6.0
220.12578	4.7
221.13387	6.4
223.14606	4.4
225.16280	4.9
229.12199	11.4
239.17993	5.1
241.19594	6.3
251.18071	7.6
252.18733	6.2
259.20605	9.2
265.19556	11.7
277.21658	7.4
280.21735	5.4
295.16916	5.1
305.22705	4.7
333.22079	14.4
351.22943	100.0
352.23468	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	351.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99337	0.3
55.05517	0.3
56.96569	0.3
57.03431	0.5
59.63641	0.3
65.03916	0.5
67.05499	0.9
69.03441	0.6
69.07062	0.6
70.03925	1.8
71.04964	0.4
79.05491	0.7
81.03416	0.6
81.07044	1.1
83.04881	0.4
84.92620	0.3
85.02901	0.8
86.09702	0.6
91.05477	5.2
93.07043	1.3
95.04974	0.8
95.08588	1.0
97.02895	10.1
97.06548	0.7
99.04458	0.5
104.10741	0.4
105.07024	1.3
107.08620	1.0
109.06500	0.5
109.10130	0.9
110.70056	0.4
116.18208	0.3
117.07030	0.4
119.04947	16.6
119.08598	0.9
120.08118	0.4
121.06499	0.5
121.10166	0.9
122.06049	0.7
123.08077	0.4
125.09616	0.8
127.03943	1.2
131.08553	0.3
133.10158	0.9
135.08040	0.4
135.11681	0.5
137.06017	0.8
139.03917	1.9
145.10139	0.4
147.04414	100.0
148.04752	2.7
148.07805	0.4
159.11646	0.5
161.09613	0.8
161.13094	0.3
163.11252	0.4
165.09120	0.4
177.89983	0.3
184.07346	0.9
186.32286	0.3
238.13576	0.3
273.07657	0.5
289.16095	0.5
303.77951	0.4
315.19836	0.6
333.20663	0.4
351.11707	0.7
351.22778	0.9
351.29352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03953	0.2
55.05515	0.4
56.96528	0.2
57.03434	0.4
60.07829	0.2
67.05489	0.9
69.07059	0.6
70.99366	0.6
72.27163	0.2
77.00922	0.5
78.19102	0.2
79.05489	0.8
81.03395	0.3
81.07047	1.4
83.04967	0.2
91.05480	1.5
93.07053	0.7
95.04961	0.3
95.08612	0.4
97.02895	1.4
97.06539	0.3
105.07027	0.6
107.08570	0.5
109.02881	0.5
109.10156	0.4
111.08094	0.2
117.07052	0.2
119.04945	3.3
119.08581	0.4
121.06505	0.2
121.10152	0.3
127.03922	0.4
131.08508	0.3
133.10121	0.3
139.03929	0.2
143.32875	0.2
145.10159	0.3
147.04408	20.7
147.11705	0.3
148.04739	0.7
149.13173	0.2
173.06578	0.2
185.06578	0.2
201.09575	0.3
215.11325	0.8
231.10881	0.3
231.13597	0.2
233.12248	0.5
235.13051	0.3
241.12759	0.3
243.14374	0.3
253.12917	0.9
259.20554	0.3
271.13846	1.2
273.07581	0.3
275.20087	0.2
281.12894	0.2
286.07837	0.2
321.19983	0.2
333.19266	1.4
351.21399	100.0
352.21457	1.9
352.25439	0.4
369.21133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.5
67.01872	0.8
69.03447	0.2
71.04980	0.2
81.03421	0.4
91.05488	6.0
92.05798	0.2
97.02894	3.9
98.27802	0.2
99.04456	0.3
99.98061	0.2
109.02876	1.2
119.04949	19.0
120.05280	0.5
127.03925	2.4
139.03958	0.4
147.04417	100.0
148.04761	3.1
152.56789	0.1
201.51883	0.2
205.77335	0.2
273.07587	1.9
351.10962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.6
67.01852	0.3
67.87709	0.1
68.34068	0.2
69.03428	0.2
69.07062	0.2
70.84834	0.3
70.85200	0.3
81.03415	0.4
81.07057	0.2
91.05480	5.6
93.07076	0.2
95.04964	0.1
96.66118	0.1
97.02893	8.8
98.03195	0.2
98.97565	0.1
105.07054	0.3
107.04951	0.1
107.08606	0.1
109.02906	0.2
118.70409	0.1
119.04942	18.7
120.05225	0.3
121.10158	0.1
127.03918	1.2
139.03911	1.5
147.04408	100.0
148.04749	2.9
165.05458	0.4
165.32674	0.1
184.07393	0.3
190.04068	0.1
210.58151	0.2
233.78755	0.1
255.06522	0.2
273.07596	0.5
275.68320	0.2
276.41980	0.2
305.08133	0.2
316.76453	0.1
351.08701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99691	0.2
56.96552	0.3
62.98255	0.2
65.03925	0.5
67.05502	0.2
67.22797	0.2
69.03419	0.6
70.38170	0.2
70.64694	0.4
70.65070	0.4
71.04964	0.2
81.03407	0.2
81.07047	0.2
85.02866	0.2
89.03844	0.2
91.05483	4.2
93.07053	0.2
95.08594	0.4
97.02893	9.3
98.03255	0.3
99.04457	0.2
105.07012	0.2
107.04975	0.3
107.08597	0.2
109.02878	0.6
109.10165	0.3
110.77409	0.2
119.04949	15.9
120.05304	0.4
120.08133	0.2
121.02834	0.2
121.10176	0.2
127.03936	1.0
139.03883	1.6
147.04410	100.0
148.04759	2.9
148.07544	0.8
161.09627	0.2
162.09132	0.7
165.05481	0.4
180.10217	1.0
186.13196	0.2
192.10158	0.2
203.00775	0.2
225.36095	0.2
260.16406	0.5
262.17963	0.4
272.16370	0.2
290.17636	1.1
308.18518	1.2
334.20038	1.5
351.11044	0.2
351.22913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
63.88238	0.2
65.03929	0.3
67.01859	0.5
67.05496	0.2
69.45132	1.4
73.74087	0.2
74.30803	0.2
81.03407	0.5
83.08611	0.4
84.24584	0.2
85.02943	0.2
91.05478	5.7
91.09071	0.2
97.02892	1.6
97.06537	0.2
99.04393	0.2
100.11264	1.1
105.07050	0.3
109.02865	1.1
110.06018	0.2
111.04444	0.2
119.04944	16.6
120.05305	0.2
127.03904	1.3
128.07024	0.2
133.10126	0.3
137.09656	0.2
141.11510	0.2
147.04407	100.0
148.04762	2.1
182.15460	0.4
184.07335	0.2
184.81975	0.2
199.01979	0.2
209.16661	0.3
210.14919	0.6
228.15976	0.2
229.15581	0.3
255.06613	0.2
262.18048	0.2
271.96265	0.2
273.07523	1.5
287.71951	0.2
290.05557	0.2
294.06970	0.2
305.08002	0.6
333.22888	0.7
342.24283	0.7
342.74167	0.3
351.24438	5.5
351.74609	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07425	0.4
51.87973	0.4
55.05481	0.4
55.45803	0.4
58.50175	0.4
65.03938	0.5
66.50072	0.5
67.01864	2.0
67.05515	1.0
69.07052	0.6
71.04958	0.5
71.13974	0.9
79.05479	0.9
81.03432	1.3
81.07041	1.2
83.04961	0.6
83.08624	0.5
85.02917	0.7
86.09711	0.5
91.05486	6.5
93.07045	1.2
95.04979	0.4
95.08586	0.9
97.02876	0.8
97.06528	0.9
99.04469	0.6
105.07007	1.0
107.08601	0.9
109.02878	2.0
109.10104	1.0
117.07001	0.5
119.04946	17.6
119.08554	1.0
121.06564	0.5
121.10101	0.6
125.00021	0.6
127.03915	7.3
133.10161	0.6
145.10042	0.6
146.51964	0.5
147.04408	100.0
148.04750	2.0
161.09688	0.5
164.09462	1.7
179.10812	0.8
184.07379	2.0
238.07080	0.5
255.06500	1.3
273.07578	8.8
274.07922	0.7
277.13797	3.6
351.14011	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
53.24666	0.3
55.05518	0.5
56.96557	0.4
65.03943	0.5
67.01871	2.7
67.05497	1.1
69.07050	0.7
71.04977	0.4
77.00919	0.4
79.05481	0.6
81.03420	0.7
81.07054	1.2
85.02870	0.3
91.05482	6.3
93.07040	1.1
95.08590	0.7
97.02892	1.0
99.04434	0.7
105.07015	0.9
105.59945	0.3
107.08596	1.0
109.02896	1.7
109.10171	0.6
119.04945	15.7
119.08577	0.9
120.05299	0.7
121.10130	0.6
125.09611	0.3
127.03911	6.9
137.06007	0.4
145.10143	0.4
147.04411	100.0
147.11714	0.6
148.04753	2.7
161.13298	0.3
165.05464	0.5
172.95923	0.3
196.69948	0.3
255.06505	1.2
259.20447	0.6
273.07544	6.6
274.07834	0.7
277.21194	0.4
303.06598	0.6
304.07233	0.5
317.02087	0.3
333.05746	0.8
340.37640	0.3
351.06894	1.5
351.21396	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05510	0.4
56.96560	0.4
57.03427	0.4
65.03957	0.7
66.00648	0.3
67.01875	2.0
67.05489	1.4
69.03416	0.5
69.07064	0.8
71.04987	0.5
71.59289	0.6
79.05484	0.9
81.03411	1.1
81.07055	1.5
91.05488	6.3
93.07036	1.5
95.04955	0.6
95.08578	0.9
97.02931	0.8
97.10174	0.4
99.04460	1.3
101.06021	2.2
105.07014	1.1
107.04933	0.4
107.08591	0.9
109.02859	1.1
109.10160	1.2
119.04951	17.9
119.08606	0.9
121.10170	0.6
123.08030	0.5
125.09612	0.5
127.03917	7.7
133.10136	0.7
135.11729	0.7
142.13167	0.4
145.10126	0.5
147.04417	100.0
147.11690	0.8
148.04727	2.8
159.11719	0.5
165.05486	0.5
179.66014	0.4
190.41457	0.4
255.06566	1.1
273.04724	0.5
273.07605	9.8
324.84412	0.4
351.20959	1.7
351.25424	1.1
355.96445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09639	1.6
67.05471	1.8
67.71294	1.8
68.20614	1.7
70.57192	1.9
70.57540	5.7
85.02899	1.7
90.38772	1.9
98.20681	1.8
121.01690	2.6
122.45376	1.6
124.08372	1.5
133.01678	2.1
217.00226	2.0
218.65659	1.7
249.02834	3.8
287.47717	1.9
351.06915	100.0
351.12213	8.7
352.07315	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54116	1.6
58.99869	1.7
70.95800	4.4
85.02927	2.2
95.19740	1.5
119.01877	2.2
121.01626	2.6
133.01653	2.3
171.58308	1.9
176.61809	1.7
186.04289	1.8
217.00131	2.0
228.81804	1.7
249.02835	4.9
276.40723	1.7
351.06885	100.0
351.12479	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	351.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.1
54.63913	0.1
55.05509	0.2
56.96561	0.1
57.03434	0.2
65.03937	0.5
66.34016	0.1
67.01843	0.1
67.05503	0.3
69.03439	0.4
69.07064	0.2
69.57978	0.6
69.58385	0.2
70.06600	0.3
79.05492	0.2
81.03424	0.4
81.07077	0.6
83.05003	0.1
85.02906	0.2
86.09706	0.4
91.05487	5.1
93.07051	0.2
95.04944	0.2
95.08603	0.2
97.02901	9.7
97.06531	0.1
98.03246	0.1
99.04472	0.2
104.10764	0.2
105.07033	0.3
107.08600	0.2
109.02882	0.4
109.06544	0.1
109.10172	0.3
116.98666	0.1
119.04950	16.5
120.05264	0.5
121.06597	0.1
121.10158	0.2
123.00796	0.1
123.11744	0.1
123.91711	0.1
125.00020	0.2
127.03934	0.8
131.08545	0.1
133.10190	0.1
137.05925	0.1
137.73308	0.1
139.03900	1.4
145.10181	0.2
147.04417	100.0
148.04756	3.1
165.05495	0.3
169.01414	0.2
184.07346	1.3
191.02306	0.1
196.68552	0.1
244.22688	0.2
245.22986	0.3
257.30685	0.1
273.07587	0.1
277.13855	0.1
289.25589	0.2
330.69144	0.1
350.29056	0.3
351.10727	0.5
351.22552	0.3
351.29373	1.1
351.53519	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	349.2741
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.07254	0.6
55.05516	4.0
57.07055	1.2
62.30146	0.7
65.51414	0.6
67.05508	4.7
69.07072	8.6
69.24761	7.9
71.05014	1.2
78.80371	0.7
79.05490	3.0
81.07055	8.3
83.04966	1.0
83.08614	3.8
88.56443	0.7
91.05470	2.4
91.35608	0.6
93.07040	4.5
95.05011	1.4
95.08612	7.3
96.20604	0.6
97.06522	1.9
99.08052	0.9
100.42815	0.6
104.15059	0.6
105.07043	3.8
107.08604	4.2
109.06518	8.6
109.10141	2.4
111.08052	1.3
119.08591	4.3
121.06573	0.8
121.10127	3.3
122.07329	0.8
123.08072	50.7
123.11694	1.7
125.09631	2.0
129.10896	0.7
131.08566	1.3
133.10156	3.1
135.08098	3.3
135.11694	1.5
137.09631	3.0
145.10117	1.8
147.11708	1.9
149.09598	1.2
149.13300	1.8
151.11145	1.0
159.11739	1.5
161.09880	0.8
161.13170	0.7
171.11818	0.8
173.13248	0.7
174.71613	0.6
179.14333	9.5
213.67564	0.6
233.19060	0.9
249.36827	0.8
275.20044	2.5
288.97675	0.7
293.17868	0.9
293.21121	15.8
303.26831	0.7
331.26157	3.1
349.27393	100.0
350.27740	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01880	0.5
55.05508	3.9
56.92699	0.4
57.07071	1.7
60.16579	0.4
67.05506	4.6
69.07070	8.6
71.04990	1.6
71.50071	0.9
73.06554	0.6
79.05491	3.2
81.07053	7.9
83.04982	0.8
83.08606	2.5
83.96861	0.4
85.06546	1.0
91.05470	2.9
93.07047	4.6
95.04978	0.9
95.08050	0.8
95.08613	8.0
97.06527	1.7
97.10174	0.9
105.07025	3.9
107.08591	5.5
109.06525	8.2
109.10137	3.2
111.08086	1.8
117.07005	0.8
119.08569	3.4
121.06538	0.7
121.10134	3.6
123.08071	52.3
123.11703	1.6
124.08396	0.5
125.09634	1.8
131.08575	1.0
133.10143	2.6
135.08061	3.9
135.11671	1.7
137.09630	2.7
138.47998	0.5
145.10126	1.9
147.11662	1.6
149.09596	1.3
149.13264	1.8
151.11150	0.6
159.11685	1.5
161.13274	1.2
163.11223	0.8
165.12807	0.5
167.14473	0.6
171.11742	0.7
173.13286	0.8
175.14854	0.5
177.12677	0.7
179.14328	7.9
187.45412	0.5
226.04330	0.5
228.70508	0.5
233.18929	0.4
264.13071	0.5
275.20117	1.4
281.21075	0.8
289.25232	0.6
293.21103	15.8
331.26266	2.3
349.27390	100.0
350.27637	3.6
355.27707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
53.25851	1.4
55.01877	21.0
55.05513	54.1
55.73947	1.4
57.03437	18.4
57.07066	2.6
65.03933	3.6
67.05506	71.3
69.03415	5.7
69.06722	2.0
69.07066	26.6
69.78117	6.1
69.78534	3.0
71.04994	8.5
73.02923	1.8
77.03957	1.8
79.05493	100.0
80.05815	2.2
81.03425	13.1
81.06584	3.1
81.07059	60.9
82.07436	1.9
83.04984	29.0
83.08622	16.0
85.02888	2.4
85.06532	4.9
91.05486	52.9
93.07044	69.0
94.07368	2.3
95.01318	6.4
95.04964	15.5
95.08612	36.6
97.02901	2.6
97.06535	19.4
97.10165	14.8
98.20746	3.3
103.05466	2.2
105.07024	49.8
106.07335	1.9
107.04958	36.4
107.08593	67.9
109.06511	4.8
109.10151	24.2
111.08090	7.6
115.05464	1.9
117.07010	19.8
119.04895	1.7
119.08578	38.1
121.06504	6.5
121.10142	22.9
123.04453	2.1
123.08049	5.3
123.11676	5.6
125.09636	18.0
129.06981	4.4
131.08574	19.6
133.10143	34.1
134.10487	1.8
135.08026	7.2
135.11673	7.5
137.05917	3.0
137.09619	2.3
143.00041	2.0
143.08588	6.1
145.10135	20.6
147.11691	18.1
149.09624	50.4
149.13255	6.8
150.09926	1.8
153.09018	2.9
153.12738	1.7
155.08635	2.4
157.10114	5.1
159.08142	1.4
159.11682	14.5
161.13339	7.7
163.11171	6.8
163.14838	5.4
169.10139	2.0
169.12251	4.2
171.10239	2.3
171.11836	5.4
173.11722	6.0
173.13229	7.6
173.14561	1.7
175.04488	1.5
175.14824	1.7
177.12816	3.8
179.14360	9.1
181.12192	1.8
183.11632	3.0
187.11212	3.2
187.13235	2.2
189.11206	10.5
191.14319	2.8
197.13284	2.7
209.15392	8.5
215.17937	2.5
219.13692	2.3
223.13274	2.0
229.19493	7.1
239.17873	5.0
247.20679	3.1
250.40771	1.6
257.19034	13.0
263.65936	1.7
275.20056	64.0
276.20450	6.7
291.19550	4.2
293.21106	3.1
331.15897	2.0
349.13208	9.9
349.16864	3.7
349.23712	66.2
350.13644	2.4
350.17462	2.2
350.23444	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.9
53.03946	5.6
55.01871	6.7
55.05513	21.6
56.96572	3.0
57.03438	36.0
57.07080	2.2
58.99808	1.9
61.02922	3.8
65.03940	2.6
67.05507	53.0
69.03419	3.5
69.07069	23.4
71.04977	3.1
73.02921	4.3
78.43633	1.7
79.05496	41.9
81.03419	11.5
81.07059	53.7
83.04981	5.7
83.08655	11.1
85.02901	4.8
85.06540	12.3
87.86700	2.0
91.03951	4.4
91.05478	54.2
92.05835	2.3
93.06470	3.2
93.07048	52.8
95.01313	2.1
95.04984	11.6
95.08611	42.2
97.02904	5.4
97.06512	7.8
97.10167	3.1
99.04445	5.8
103.73823	2.0
105.07030	48.3
107.04959	13.8
107.08598	25.2
109.06516	16.7
109.10161	14.2
111.08083	4.6
117.07017	19.8
119.01891	3.8
119.04919	2.2
119.08584	33.1
121.06512	4.9
121.10159	13.7
123.04475	2.2
123.08060	8.6
123.11732	3.5
125.09629	6.7
127.03899	2.8
129.06984	5.3
131.08565	27.2
133.03455	2.6
133.10144	25.0
135.08058	5.3
135.11670	12.3
137.05991	4.5
137.09653	2.7
143.08598	6.2
145.10124	19.1
147.11702	17.8
149.09616	6.9
149.13271	3.1
151.04565	2.6
153.12578	2.5
157.10114	5.2
159.11710	16.4
161.02908	2.4
161.13280	6.8
163.11180	3.8
165.09178	2.1
169.10120	3.9
171.11800	3.3
171.57384	2.1
173.03047	1.9
173.13249	7.9
175.04509	2.2
175.11060	2.1
175.14838	2.4
177.12758	2.9
179.14291	10.3
185.13286	6.2
187.04610	4.0
187.11153	1.8
190.11830	2.1
197.13257	2.2
201.16347	5.0
203.14359	5.2
205.10403	1.8
209.15419	2.9
217.15666	2.1
219.17444	100.0
220.17783	3.7
239.18039	2.6
247.20509	3.9
257.19034	8.7
269.15140	2.2
275.20078	39.2
276.20462	2.0
301.20129	8.7
303.03458	1.9
319.17853	2.0
342.22894	2.1
349.19049	3.2
349.23688	50.9
349.27359	3.9
349.34003	5.4
350.17584	4.5
350.24246	4.0
358.19626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	16.9
55.01870	19.0
55.05511	30.2
56.96555	3.7
57.03439	22.3
65.03931	4.6
67.05505	77.3
69.03417	3.3
69.07066	68.8
71.05014	3.6
77.03907	1.7
79.05489	67.6
81.03416	36.5
81.07056	100.0
82.07391	2.7
83.04983	16.2
83.08613	13.3
85.06561	3.9
91.05479	72.5
92.05750	2.5
93.07043	71.6
95.01333	29.6
95.04977	24.1
95.08604	63.8
96.01647	1.6
97.06531	34.8
97.10155	3.3
98.21524	3.7
99.08084	3.4
103.05488	2.3
105.07027	93.9
106.07348	3.9
107.04952	44.1
107.08591	34.0
109.06539	12.8
109.10147	15.4
109.75367	2.1
111.04426	2.3
111.08058	5.7
113.09664	1.9
116.06155	2.0
117.07015	28.2
119.04951	2.3
119.08580	53.1
121.06502	7.9
121.10141	16.0
123.04424	3.8
123.08069	10.8
123.11720	4.4
125.09621	6.5
128.06227	2.4
129.06989	4.7
131.08566	35.4
133.06502	1.9
133.09096	3.2
133.10126	65.2
135.08044	6.7
135.11681	16.1
137.05902	2.7
137.09625	3.3
139.07542	2.9
141.06992	5.4
143.08603	7.7
145.06485	9.2
145.10117	29.5
147.08095	2.4
147.11682	27.8
149.09607	12.1
149.13252	11.3
151.11197	4.9
154.08691	3.3
155.08553	2.5
157.10126	6.9
159.08081	3.1
159.11684	26.9
161.09648	2.2
161.13231	10.6
163.11143	10.5
165.09097	4.7
169.10181	8.3
171.11652	6.0
173.13271	8.3
175.14909	2.0
177.12735	9.4
179.10611	2.2
179.14301	32.3
181.83588	1.9
183.11658	5.0
185.13316	3.4
187.11203	7.6
187.14780	2.2
197.13264	4.0
205.12274	3.3
207.13795	2.8
211.14616	1.9
222.92088	1.7
229.19669	1.9
232.97253	2.0
234.31923	2.0
239.18044	3.9
241.14424	3.6
247.20543	4.9
254.42213	1.9
257.18976	11.1
275.20047	99.8
276.20453	6.7
293.21283	2.3
331.15665	2.6
349.16898	3.2
349.20428	3.4
349.23749	84.3
350.24066	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.9
53.03946	5.6
55.01871	6.7
55.05513	21.6
56.96572	3.0
57.03438	36.0
57.07080	2.2
58.99808	1.9
61.02922	3.8
65.03940	2.6
67.05507	53.0
69.03419	3.5
69.07069	23.4
71.04977	3.1
73.02921	4.3
78.43633	1.7
79.05496	41.9
81.03419	11.5
81.07059	53.7
83.04981	5.7
83.08655	11.1
85.02901	4.8
85.06540	12.3
87.86700	2.0
91.03951	4.4
91.05478	54.2
92.05835	2.3
93.06470	3.2
93.07048	52.8
95.01313	2.1
95.04984	11.6
95.08611	42.2
97.02904	5.4
97.06512	7.8
97.10167	3.1
99.04445	5.8
103.73823	2.0
105.07030	48.3
107.04959	13.8
107.08598	25.2
109.06516	16.7
109.10161	14.2
111.08083	4.6
117.07017	19.8
119.01891	3.8
119.04919	2.2
119.08584	33.1
121.06512	4.9
121.10159	13.7
123.04475	2.2
123.08060	8.6
123.11732	3.5
125.09629	6.7
127.03899	2.8
129.06984	5.3
131.08565	27.2
133.03455	2.6
133.10144	25.0
135.08058	5.3
135.11670	12.3
137.05991	4.5
137.09653	2.7
143.08598	6.2
145.10124	19.1
147.11702	17.8
149.09616	6.9
149.13271	3.1
151.04565	2.6
153.12578	2.5
157.10114	5.2
159.11710	16.4
161.02908	2.4
161.13280	6.8
163.11180	3.8
165.09178	2.1
169.10120	3.9
171.11800	3.3
171.57384	2.1
173.03047	1.9
173.13249	7.9
175.04509	2.2
175.11060	2.1
175.14838	2.4
177.12758	2.9
179.14291	10.3
185.13286	6.2
187.04610	4.0
187.11153	1.8
190.11830	2.1
197.13257	2.2
201.16347	5.0
203.14359	5.2
205.10403	1.8
209.15419	2.9
217.15666	2.1
219.17444	100.0
220.17783	3.7
239.18039	2.6
247.20509	3.9
257.19034	8.7
269.15140	2.2
275.20078	39.2
276.20462	2.0
301.20129	8.7
303.03458	1.9
319.17853	2.0
342.22894	2.1
349.19049	3.2
349.23688	50.9
349.27359	3.9
349.34003	5.4
350.17584	4.5
350.24246	4.0
358.19626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51843	0.5
53.03948	1.4
55.01869	4.7
55.05516	12.3
56.96568	5.5
57.03439	13.1
57.07070	1.8
65.03950	1.0
67.05506	24.5
69.03426	1.7
69.06724	1.1
69.07072	15.3
69.32726	2.9
69.33154	3.2
71.04984	1.5
76.31625	0.5
77.29459	0.5
79.05492	19.4
80.05827	0.6
81.03423	1.5
81.07059	31.0
82.07366	0.7
83.04981	6.5
83.08618	4.6
85.06535	0.9
91.05482	23.2
93.07044	28.3
94.07352	0.9
95.04971	8.5
95.08607	17.5
97.06541	4.3
97.10143	2.4
103.05445	0.9
105.07030	24.5
107.04285	0.9
107.04958	8.7
107.08596	16.0
108.08888	0.5
109.06524	11.2
109.10162	9.3
111.08084	2.4
112.11847	0.7
115.05459	0.8
117.07022	8.7
119.04911	0.6
119.08586	16.0
121.06508	12.3
121.10152	11.2
123.08089	4.2
123.11696	2.9
125.09627	1.7
129.06995	2.5
131.08566	15.8
133.06482	3.4
133.10129	16.4
135.08067	5.0
135.11710	6.1
137.05946	1.4
137.09619	2.6
141.06952	1.1
143.08556	4.3
145.06458	2.9
145.10130	12.9
147.08095	3.4
147.11685	11.0
149.09618	6.5
149.13243	2.6
151.11171	6.1
155.08603	1.4
157.10121	2.9
159.08040	2.4
159.11681	7.4
160.08687	0.6
161.09637	3.9
161.13271	3.0
163.11194	6.5
165.12726	1.1
169.10109	1.2
171.11719	2.5
173.09671	3.3
173.13231	4.8
175.11215	3.1
175.14815	0.9
177.12720	2.3
179.14297	1.0
183.11688	3.2
185.04849	0.7
185.13274	1.3
187.11185	2.7
187.14841	1.1
189.12729	1.7
191.14317	3.1
197.13249	1.9
199.14853	1.1
201.12743	3.6
205.16022	0.9
205.19551	1.2
207.13797	3.5
211.06372	0.8
211.14726	0.7
213.08018	1.9
215.14249	1.5
215.17883	2.8
217.07439	1.4
219.13823	5.4
225.14925	0.8
229.07478	4.0
229.19496	1.8
231.08937	3.3
231.17491	1.2
233.15312	1.0
233.19049	1.3
239.17908	3.0
243.09166	1.0
247.08601	3.1
247.20529	3.3
257.19000	17.3
261.09943	0.9
267.09152	0.7
275.20062	100.0
276.20404	4.0
285.09924	0.9
293.21140	8.8
294.21228	0.9
331.15857	1.4
334.55704	0.8
349.17273	8.1
349.23715	50.3
350.23898	3.1
367.17889	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06467	2.3
53.03929	7.4
55.01849	9.6
55.05270	3.1
55.05510	43.5
56.96565	30.8
57.03434	20.6
62.23510	2.4
65.03928	3.1
67.05505	69.2
69.03409	7.3
69.07066	29.8
70.92594	8.1
71.04976	5.9
71.95256	4.2
79.05493	100.0
80.05762	2.7
81.03420	16.2
81.06600	3.9
81.07056	74.9
82.00672	2.4
83.04978	24.1
83.08637	16.0
84.96006	2.8
85.02883	2.5
85.06501	3.3
91.05482	59.9
93.06486	3.9
93.07045	65.9
94.07376	3.5
95.01322	6.6
95.04945	14.5
95.08601	35.7
97.02901	2.5
97.06531	17.4
97.10130	10.6
99.08044	2.3
105.06387	3.9
105.07028	61.0
107.04413	2.2
107.04955	25.9
107.07875	3.8
107.08599	61.5
109.06507	12.5
109.10144	22.2
111.08075	5.6
115.00659	2.4
116.98573	3.0
117.07012	18.6
119.04873	2.7
119.08589	41.5
121.06468	7.4
121.10142	30.0
123.08044	8.6
123.11700	3.7
125.09599	13.1
125.64474	2.4
128.98604	4.7
129.05429	3.2
129.06984	5.0
131.08586	25.9
133.10121	35.3
135.08003	7.8
135.11671	11.0
137.05927	10.9
137.09538	4.6
143.08589	5.9
145.06390	3.3
145.09145	3.0
145.10120	24.6
146.99646	5.9
147.08006	3.4
147.11653	25.8
149.09624	39.1
149.13280	6.2
155.00043	2.7
157.10098	6.9
159.11700	17.1
160.03944	16.8
161.13226	9.6
163.11166	7.2
163.14795	2.8
165.00772	3.6
167.12450	5.8
169.10091	3.6
171.03270	2.7
171.11652	8.5
173.04832	2.9
173.11777	4.4
173.13242	8.1
175.11172	2.9
177.12724	3.6
179.14294	7.1
183.11600	4.7
187.11220	3.0
187.13380	3.2
189.04366	5.6
189.11189	3.3
189.16411	2.9
191.14394	4.4
193.12160	3.6
197.13307	4.9
199.06352	3.8
202.08650	3.0
203.05846	3.1
209.15378	4.4
217.07523	6.0
223.02853	4.2
229.19484	6.7
231.09076	3.4
233.38908	2.6
238.11044	2.9
239.17996	5.3
243.09030	6.4
247.20627	4.5
255.08600	2.7
257.19058	16.2
259.20483	5.2
261.10059	7.1
275.17285	4.1
275.20074	61.8
276.20355	4.6
277.21600	5.7
331.15759	40.8
332.16318	3.1
349.12820	3.9
349.16888	75.8
349.23663	87.7
350.17160	6.7
350.23737	8.1
351.25342	3.2
367.17908	31.6
368.18140	3.2
372.18250	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03932	1.8
55.01881	5.9
55.05515	20.4
56.96569	1.4
57.03189	1.0
57.03441	13.0
57.07056	1.7
59.04985	1.3
62.57130	0.9
65.03951	2.8
67.02823	1.2
67.05506	37.1
69.03426	2.8
69.07071	18.8
69.61163	3.5
69.61591	4.2
71.04981	3.4
75.04451	1.0
79.05495	39.2
81.03409	2.1
81.07059	47.0
83.04995	7.6
83.08622	9.9
84.08949	1.1
85.02872	1.0
85.06540	1.8
91.03925	1.2
91.05480	43.0
93.07045	32.8
95.04978	9.4
95.08605	26.1
97.06524	10.2
97.10158	3.7
98.07678	0.9
98.21508	1.8
99.08085	1.4
101.32465	1.0
103.05463	2.0
105.07031	47.0
106.07339	1.1
107.04961	8.9
107.08598	27.8
109.06524	10.3
109.10161	10.3
111.08083	3.5
115.05458	2.1
116.06258	1.4
117.07019	15.9
119.08584	33.7
120.08860	1.0
121.06495	5.9
121.10139	13.3
123.08056	4.2
123.11716	2.6
125.09595	4.8
128.06206	1.4
129.07011	5.2
130.07745	1.6
131.08577	26.3
133.06468	1.4
133.10132	33.9
134.10422	1.6
135.08061	3.8
135.11674	7.6
135.39314	1.0
137.09592	3.5
141.06976	2.1
142.07820	1.0
143.08531	6.0
145.06422	1.3
145.10127	36.2
146.10489	1.6
147.08052	3.1
147.11699	18.3
149.09636	9.6
149.13197	2.4
151.11131	3.3
155.08534	2.9
156.09398	1.4
157.10094	6.2
159.08058	1.3
159.11691	22.2
161.09628	3.3
161.13245	7.6
163.11151	8.2
165.12743	1.8
169.10156	3.7
171.11667	7.3
173.09624	2.7
173.11789	1.7
173.13246	11.4
175.11151	2.4
177.12726	2.7
179.14273	2.4
183.11681	5.2
185.13229	3.3
187.11172	3.0
187.14764	2.1
189.11246	2.4
191.14293	1.4
197.13280	4.4
199.14903	1.4
201.12787	1.5
201.16409	1.2
213.16203	1.4
215.14250	1.1
215.17982	1.7
217.12253	1.0
219.17400	1.7
219.26538	1.2
227.17906	1.1
229.19545	5.3
239.17950	9.9
247.20520	3.4
257.19016	31.9
258.19345	1.6
269.12335	1.1
275.20068	65.8
276.20358	2.5
293.21109	4.3
331.22562	3.6
349.19821	17.0
349.23709	100.0
350.24170	5.5
367.17923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.02377	0.9
53.03931	3.6
55.01875	7.0
55.05514	17.9
56.96560	2.1
57.03439	13.0
57.07053	1.7
57.83075	0.8
65.03930	2.0
67.05503	44.9
68.33862	0.8
69.03414	2.4
69.06721	1.5
69.07069	22.9
69.94191	5.2
71.04985	3.1
79.05495	47.7
81.03423	4.4
81.07056	69.6
82.07368	1.5
83.04972	5.4
83.08625	7.4
85.02892	1.1
85.06547	3.4
91.05479	44.0
91.69384	0.9
92.05778	0.9
93.07043	36.6
93.07629	1.9
95.04954	7.2
95.08603	33.7
97.06533	8.2
97.10172	4.5
99.08077	1.8
103.05447	1.9
105.07031	45.9
106.07330	1.1
107.04948	6.3
107.08593	28.9
109.06519	20.8
109.10152	16.7
111.08083	3.6
115.05452	2.5
117.07012	13.9
119.08585	35.2
121.06522	3.1
121.10143	14.4
122.80113	0.9
123.04407	1.0
123.08099	4.4
123.11689	6.1
125.09609	4.4
128.06171	1.1
129.05481	1.9
129.06975	5.1
130.07816	1.6
131.08565	25.5
133.10132	32.7
135.08049	4.5
135.11678	10.0
137.09639	1.9
137.13229	1.4
141.06961	2.1
142.07791	1.4
143.08580	7.3
145.06479	1.3
145.10115	40.8
146.10573	1.7
147.08043	2.6
147.11681	23.7
149.09619	9.8
149.13226	4.4
151.11137	2.3
155.08528	3.2
157.10130	6.4
159.11696	20.4
160.12221	1.2
161.09596	2.0
161.13261	8.1
163.11217	6.0
163.14850	1.6
165.12776	2.5
169.10129	3.4
171.11684	6.9
173.13249	9.5
174.13794	1.1
175.11203	2.5
175.14818	1.3
177.12706	2.9
179.10730	1.8
179.14351	2.2
183.11726	4.1
185.13307	1.7
187.11185	2.0
187.14882	1.6
189.11182	1.9
193.12186	1.0
197.13271	4.5
203.14217	1.2
211.14876	1.4
215.14287	0.9
215.17964	1.5
219.17456	4.1
229.19443	4.9
239.17918	12.1
247.20564	7.2
257.18991	32.2
258.19409	1.7
265.21649	1.0
273.10043	1.2
275.20050	50.7
276.20407	3.1
289.65823	0.9
293.21091	1.9
325.56216	1.0
326.06348	1.2
331.15707	1.4
331.22632	2.2
349.16785	3.3
349.23730	100.0
350.11752	2.1
350.23999	5.7
367.17905	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01874	2.8
55.05505	4.8
56.40761	0.5
57.03435	3.2
67.05505	9.9
69.03428	0.6
69.07060	5.6
70.65526	1.7
71.05008	0.9
79.05492	9.3
81.03421	0.9
81.07056	13.4
83.04996	1.5
83.08614	1.9
85.06575	0.6
91.05485	10.5
93.07047	8.3
95.04972	2.2
95.08608	6.2
96.08141	2.1
96.86957	0.7
97.06541	3.6
97.10148	0.5
105.07036	11.3
105.07686	1.0
106.73848	0.5
107.04979	1.4
107.08593	6.6
109.06535	2.1
109.10158	3.3
111.08071	0.8
117.07017	4.2
119.08581	9.5
121.06488	0.6
121.10146	2.9
123.08060	0.6
123.11732	1.2
125.09626	1.1
128.06186	0.5
129.07018	1.5
131.08574	5.9
133.06474	0.5
133.10138	8.1
135.08095	0.7
135.11717	2.2
137.05774	1.5
140.70384	0.5
141.06953	1.0
143.08595	1.3
144.26114	0.6
145.10118	7.1
147.08055	0.6
147.11691	4.9
149.09622	2.6
149.13280	1.1
151.11147	0.7
155.08501	0.7
157.10132	1.4
159.11685	4.5
161.09650	0.8
161.13271	1.6
163.11188	1.4
169.10136	1.2
171.11786	1.3
173.09711	0.8
173.13312	2.4
175.11198	0.7
175.14882	0.7
177.12836	0.7
179.14352	1.1
183.11758	1.7
185.13326	0.9
187.11124	0.8
195.87090	0.5
197.13300	1.5
229.19583	1.1
239.18022	2.4
247.20688	0.9
257.19028	5.0
275.20074	9.4
275.22763	0.8
280.12860	1.3
293.21259	0.9
306.24255	0.8
331.15750	0.6
331.22568	0.7
349.19919	100.0
349.23837	22.5
350.19778	3.2
350.23929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1759
Annotation	Funebrine
Peak:m/z	Relative Intensity
50.75014	2.1
53.88857	2.2
56.96553	3.7
60.03328	2.0
61.40682	2.4
62.77546	2.6
69.03418	4.8
70.00854	3.1
70.06590	77.5
71.17201	6.2
73.50661	2.0
85.02895	9.8
91.05481	3.9
93.38029	2.0
95.08575	2.7
97.02877	3.9
98.97567	2.7
107.08591	2.7
125.09617	3.2
127.03883	2.3
130.06563	3.4
134.99666	3.1
136.07553	4.6
137.05977	6.5
139.03873	2.5
157.07625	4.7
160.07561	10.1
177.00687	2.7
191.07149	2.8
192.10120	5.8
193.98711	3.8
200.10684	3.4
214.12291	2.5
216.10188	6.1
217.00162	2.3
218.11787	16.7
226.71231	2.2
234.11147	13.3
258.31531	2.1
260.12827	4.5
262.10742	20.0
288.12268	14.0
289.11725	2.9
293.89191	2.3
306.13297	4.6
307.12372	4.8
313.15320	3.1
331.12598	5.4
331.16531	100.0
332.16782	7.3
349.09018	5.0
349.13980	4.1
349.17624	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01885	1.6
55.05512	4.3
57.03437	1.8
58.03994	0.3
60.97025	0.3
65.03955	0.3
67.05173	0.5
67.05508	6.8
69.03427	0.6
69.07069	4.8
69.42271	2.5
71.04992	0.6
73.53577	0.3
73.90491	0.3
74.99858	0.3
75.42228	0.3
79.05498	8.4
81.03442	0.8
81.07063	7.7
83.04996	0.9
83.08591	1.5
85.06550	0.4
91.05483	7.2
93.07052	5.4
95.04962	1.8
95.08616	4.2
96.08138	0.4
97.06559	1.9
97.10177	1.0
103.05485	0.3
105.06293	0.5
105.07034	9.5
107.04940	1.5
107.08601	6.2
109.06538	1.7
109.10168	2.0
111.08069	0.5
117.07011	3.0
117.54964	0.3
119.01046	0.5
119.08582	4.9
121.06538	0.9
121.10143	2.4
123.08080	0.9
123.11702	0.5
125.09633	0.9
129.07034	1.0
131.08580	4.7
132.01775	0.3
133.10132	5.7
135.08038	0.9
135.11703	1.6
135.77621	0.4
137.05901	0.4
137.09567	0.6
143.08562	1.2
145.10129	6.6
147.08032	0.4
147.11687	4.0
148.29312	0.3
149.09578	1.8
151.11223	0.3
155.08524	0.6
157.10161	1.3
159.11708	4.0
161.13309	1.1
163.11215	1.2
164.14439	0.3
169.10217	0.5
171.11746	1.3
173.11986	0.5
173.13226	1.8
175.11185	0.6
177.12808	0.5
178.15959	1.2
183.11702	1.0
185.13319	0.7
187.11252	0.4
189.11317	0.6
197.13272	1.0
229.19579	0.8
231.08060	0.5
236.16512	1.0
239.17957	1.8
247.20569	0.6
257.19022	5.8
270.15985	0.3
275.20065	10.0
280.12802	3.5
288.23187	0.7
293.21313	0.5
306.24316	1.5
331.18036	0.3
331.22760	0.6
332.25751	1.8
349.19901	100.0
349.23798	16.1
350.20224	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	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.0
55.05507	41.0
57.03443	21.2
65.03922	4.5
67.05503	91.6
69.03408	2.8
69.07064	35.0
70.03575	4.8
70.03971	13.4
71.04969	5.0
71.08619	11.4
76.13826	2.5
79.05490	57.5
81.03408	6.0
81.07052	78.5
83.04974	11.8
83.08619	28.7
85.06548	7.6
91.05481	39.9
93.07043	52.0
93.46876	2.8
95.04961	9.1
95.08601	41.5
97.06527	19.2
97.10163	17.8
99.08097	12.3
105.07027	39.6
107.04942	10.6
107.08595	56.0
109.06527	7.4
109.10146	48.8
111.08075	9.9
117.07022	15.8
119.08596	27.9
121.06478	5.3
121.10136	19.7
123.08043	5.1
123.11684	6.9
125.09626	19.5
129.06993	6.3
131.08582	20.3
133.10130	33.9
135.11684	22.0
137.09622	5.8
139.11203	4.1
143.08582	6.5
145.10109	34.8
147.11700	24.5
149.09644	16.5
149.13301	24.5
151.11180	11.3
155.10658	11.4
157.10063	5.1
159.11694	25.9
161.13248	11.7
163.11191	10.3
165.12775	4.8
169.10185	3.2
171.10262	3.3
171.11560	5.2
173.11760	100.0
173.13283	11.0
175.11166	3.0
177.12761	7.8
179.14319	8.9
185.13205	3.1
187.11110	4.8
189.11226	28.6
190.14441	3.8
195.13802	62.2
196.14238	3.7
197.13286	3.4
213.14824	40.6
239.17886	7.6
241.19458	3.8
250.68167	2.8
257.19040	28.6
275.20065	43.9
277.21631	48.0
295.22675	20.9
349.20236	3.5
349.23718	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05495	1.5
56.96567	33.6
57.03422	1.1
58.36797	0.5
67.05508	3.4
69.06725	0.8
69.07071	12.3
71.58786	0.8
71.95258	2.8
72.96028	1.5
74.97615	1.0
79.05496	4.0
81.03406	1.0
81.07056	3.1
83.08616	1.0
91.05497	3.8
92.98671	0.7
93.07056	2.6
95.04945	0.6
95.08594	2.0
97.06510	1.8
97.96835	0.7
98.97566	2.4
101.75340	0.5
105.07017	3.0
107.08597	2.1
109.06513	0.7
109.10133	0.9
110.97569	2.4
115.94682	0.5
116.98617	2.3
117.07059	1.0
118.89218	0.5
119.04935	0.8
119.08591	1.8
121.01773	0.6
121.06451	0.7
121.10130	1.9
123.01186	1.4
123.08083	0.6
125.09622	0.6
127.00694	0.9
128.98604	9.4
129.06984	0.6
131.00034	0.6
131.08543	1.6
131.44569	0.6
133.10115	1.1
134.99625	1.2
135.11717	0.7
137.02750	1.0
137.05951	2.3
139.00745	0.6
141.02193	1.2
143.00137	1.0
145.01656	1.0
145.06479	0.6
145.10120	1.1
146.99643	11.9
147.11682	1.5
149.01257	1.1
149.09612	0.8
155.03806	1.9
157.01738	0.7
157.19504	0.6
159.03342	1.5
159.11647	0.8
160.03992	1.4
161.01227	2.7
165.00717	3.0
165.02078	1.1
167.03777	0.9
167.12505	1.3
169.01704	1.9
169.05412	1.0
170.01260	1.7
171.03294	2.4
173.04901	1.3
175.02879	1.3
175.11234	0.8
177.04356	0.8
179.02209	0.9
181.05374	1.6
183.03291	1.1
183.06903	0.8
184.00259	0.7
185.01117	0.6
185.04855	2.3
187.02757	1.2
187.06438	1.8
189.04353	3.1
191.05849	0.9
193.05400	0.7
193.12157	0.6
195.03261	1.0
195.06918	0.7
197.04919	1.2
198.02014	0.5
199.02730	0.7
199.06418	8.8
201.04337	0.9
202.08765	0.6
203.05899	5.1
205.07448	5.6
209.04811	0.6
209.08528	0.7
210.01907	1.1
211.06407	4.2
213.07951	0.8
217.07481	16.1
219.03448	0.7
219.06989	0.7
221.06822	1.1
222.08080	1.2
223.02797	5.0
223.06398	1.1
223.08490	5.9
225.04343	0.7
225.07994	2.9
226.05119	0.8
227.05843	0.8
228.09125	0.7
229.07487	3.6
231.08969	0.9
235.10225	0.6
237.04411	2.9
237.07938	5.1
239.09543	1.7
240.09096	1.2
241.03741	1.7
241.07497	0.6
243.09033	4.8
246.04402	0.9
247.08546	0.7
248.09691	0.6
251.05777	0.6
251.09570	1.6
252.06618	0.7
253.07558	0.6
253.11118	3.9
255.09044	26.9
256.09488	1.0
257.10617	1.9
261.10104	2.2
262.08813	1.5
269.10562	2.0
271.12222	2.3
273.10092	18.0
274.10693	0.8
275.20047	2.5
278.10626	5.4
279.09055	1.9
280.09781	7.4
281.10410	0.7
296.11771	2.5
297.10190	1.5
298.10916	5.0
299.11526	0.6
303.11551	1.8
303.16379	1.0
307.15875	1.5
319.56281	0.5
321.17374	2.2
331.15787	32.8
332.16177	1.6
349.16858	100.0
350.17227	6.0
367.17926	32.0
367.24823	0.7
368.18295	2.4
372.18481	19.8
373.18716	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2196
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05037	0.4
56.96546	0.4
57.07067	1.0
69.07036	0.3
69.92976	2.0
73.02899	0.3
88.07620	0.8
93.07008	0.5
98.21429	0.5
109.10219	0.3
132.18727	0.4
149.01218	0.6
155.78821	0.4
156.03566	0.8
181.28090	0.3
235.13057	0.9
249.14671	1.2
265.14102	0.7
266.14359	0.4
286.65805	0.6
287.16727	0.4
299.31339	0.7
347.21951	100.0
347.33307	4.0
347.67200	0.7
348.22314	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	347.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.6
56.96560	0.4
57.07067	0.9
60.04525	0.6
60.87519	0.4
65.54806	0.4
69.35378	2.8
69.35796	1.4
78.15759	0.4
79.05496	0.4
80.90272	0.4
81.07047	1.0
83.08636	0.5
84.88144	0.5
88.07605	1.1
95.08625	0.6
107.08609	0.5
109.10130	0.6
138.04436	0.4
149.01184	0.5
156.03648	0.5
172.69792	0.5
224.65680	0.6
235.13072	0.5
249.14627	1.4
265.14145	0.6
299.31497	1.0
347.21930	100.0
347.33301	4.5
347.67331	0.8
348.22287	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	348.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24377	2.1
57.03425	5.0
58.99458	2.0
59.57924	2.1
61.02920	9.7
67.05780	2.3
69.03436	20.6
69.86389	5.3
69.86813	10.1
71.04990	2.4
73.02924	3.7
81.03430	10.8
84.04501	3.3
85.02910	100.0
86.03204	2.4
87.04471	3.4
90.94885	3.0
91.03973	4.8
97.02897	34.1
97.06490	2.4
98.97577	3.8
99.00657	2.4
99.04468	6.6
102.43968	2.7
109.02903	11.3
111.04404	3.4
116.98674	2.5
123.04439	92.0
124.04771	3.1
125.77548	3.0
127.03935	29.7
136.06161	2.6
145.04971	47.3
163.06065	7.4
169.04973	39.5
180.08716	14.0
185.07854	4.4
186.07835	7.5
189.09010	2.4
207.10121	3.0
234.99055	2.9
235.06065	3.2
277.07272	2.2
280.07904	3.8
288.11081	2.5
304.01846	2.3
331.04462	3.2
348.13361	8.5
348.17334	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	348.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04518	0.7
65.03936	3.4
66.94493	0.6
67.05508	0.6
69.03424	0.9
69.51814	5.1
70.06578	0.9
71.74036	0.7
79.05495	0.9
81.03406	0.7
81.07063	1.2
83.81126	0.6
84.04508	8.0
84.08115	0.8
85.02894	3.1
85.45452	0.6
91.05485	9.2
93.03403	6.0
93.07051	1.0
95.04964	1.1
97.02937	0.8
99.04483	1.1
103.03958	3.2
103.05399	0.8
105.07052	0.7
107.04964	1.1
107.08558	0.7
109.02901	0.9
110.03653	1.0
110.38056	0.6
111.04440	16.1
119.04941	6.2
121.06513	2.8
123.04412	0.9
125.05992	27.3
126.05515	1.3
127.03900	2.2
135.04445	1.3
136.06131	0.9
136.69795	0.7
137.05988	14.0
137.07048	0.7
145.04909	1.0
149.05983	74.5
150.06453	1.2
151.07562	2.5
153.05464	85.5
154.05818	1.4
161.06026	0.9
162.03149	0.7
163.03941	1.4
167.07179	0.7
177.05467	5.4
195.06529	100.0
196.06955	1.4
230.05742	0.7
261.60861	0.7
304.18124	1.1
331.11798	11.5
348.14447	17.7
348.21417	0.9
349.13879	0.9
365.19583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.01532	1.4
57.07088	1.9
57.15355	1.5
70.06586	2.9
71.58528	1.7
81.07036	1.8
91.05496	2.1
93.07053	1.7
95.08584	1.4
138.47542	1.5
149.02325	1.9
149.26643	1.3
169.42905	1.4
180.18024	1.5
192.19556	1.4
193.04980	4.2
224.65671	5.2
229.35699	1.6
256.51093	1.5
258.26337	1.5
285.29861	3.4
347.21970	100.0
347.33493	9.8
348.22171	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	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
53.89767	0.4
55.05503	0.6
56.96564	0.4
57.07070	1.3
67.05508	0.6
69.40172	3.1
69.40581	0.9
70.06593	2.4
71.06917	0.7
71.08624	0.7
81.07045	0.7
88.07145	0.5
88.07637	3.7
89.07953	1.1
91.05500	0.6
93.07069	0.8
95.04984	0.6
95.08610	0.6
102.09179	2.5
103.09489	0.6
105.06999	0.8
107.08607	0.7
119.08590	0.6
121.10101	0.4
131.08524	0.5
145.10118	0.7
157.10139	0.5
190.38963	0.4
284.29477	1.0
285.29800	9.2
289.90485	0.5
329.32510	0.9
347.21924	100.0
347.33475	28.1
348.22253	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	347.0737
Annotation	Cassipourine
Peak:m/z	Relative Intensity
58.13604	5.5
66.95282	5.3
69.03412	11.9
70.06593	12.3
70.63879	5.3
71.28030	12.9
82.06549	13.3
84.08142	13.7
85.02905	18.8
86.09719	7.8
97.01136	9.2
97.02898	6.8
106.07380	6.0
119.08554	9.1
129.06982	5.5
129.10208	7.8
143.08655	6.7
161.03021	5.5
166.04922	6.3
173.02979	8.7
187.06210	10.0
190.09575	6.0
208.10504	12.0
210.97563	5.6
223.68210	6.7
324.82800	5.6
329.12079	8.9
347.07245	100.0
347.11304	7.3
347.13226	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.2
55.05507	57.8
57.03425	12.9
57.07058	8.8
57.16570	5.1
67.05504	100.0
69.03426	9.8
69.07072	35.8
70.02240	5.2
70.03692	16.2
71.04971	11.9
72.08071	5.1
79.05489	60.7
81.03409	12.7
81.07059	78.6
83.04977	15.9
83.08624	27.3
83.13518	4.9
84.05273	6.0
85.06532	11.5
85.10185	8.5
91.05478	55.0
91.06865	5.2
93.07043	51.4
95.04971	29.4
95.08607	80.4
97.02894	6.0
97.06516	19.0
97.10162	21.3
99.08126	5.3
102.49634	5.1
105.07018	29.3
107.08588	54.2
109.06488	18.5
109.10144	47.2
111.08108	11.8
113.09620	27.1
117.06990	6.8
119.08597	25.0
121.06557	8.2
121.10147	57.0
123.08057	8.7
123.11706	6.5
125.09630	21.2
131.08557	16.5
133.10129	25.9
135.08109	8.3
135.11729	18.6
137.05965	11.0
137.09630	7.6
139.11179	19.9
143.08530	7.1
143.10664	7.4
145.10135	15.5
147.11734	8.9
149.09587	13.7
151.11266	12.9
155.10693	7.0
157.10197	8.9
163.11171	16.5
165.12720	7.3
166.83093	5.2
167.10732	20.2
173.11754	44.1
176.10857	6.3
179.10684	5.7
191.10699	9.3
209.11845	11.4
262.16919	5.1
273.13470	6.3
275.20032	21.8
287.06979	7.2
293.21088	23.4
302.17508	45.6
303.06516	5.6
319.09650	24.1
346.07138	17.2
346.20276	35.3
347.09125	16.5
347.13025	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.4
53.21090	7.9
55.01873	14.0
55.05505	26.7
55.68314	8.9
57.03425	7.9
59.47221	7.4
59.53662	6.5
67.05502	83.7
69.07065	44.0
70.35621	7.2
71.04982	7.9
72.02643	7.7
79.05489	47.6
81.03387	7.3
81.07050	84.3
83.08624	31.2
85.06506	11.8
91.05477	33.3
93.07038	46.6
95.08615	27.8
97.06546	37.8
97.10156	22.9
105.07043	26.8
107.08564	53.2
109.06503	10.6
109.10165	46.6
117.06995	16.3
119.08600	28.3
121.06515	18.8
121.10146	16.1
125.09648	11.7
131.08507	16.9
133.10115	24.5
135.11720	10.4
137.05995	19.7
137.09621	10.5
143.08621	8.2
145.10138	13.1
149.09607	12.5
149.13263	23.3
155.10657	13.6
159.11684	15.8
163.11168	7.4
173.11769	92.9
177.12729	15.5
180.71886	7.8
189.11238	23.1
195.13821	49.7
213.14757	43.7
233.11739	18.5
247.20683	9.5
257.05951	15.0
275.20074	100.0
276.20627	10.5
293.21133	14.7
302.17459	52.7
346.20212	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
55.05510	3.8
56.30611	2.0
57.03424	2.2
58.99587	6.1
65.03940	3.3
67.05508	13.1
69.46839	21.2
70.06581	8.1
74.00656	5.0
76.02216	6.0
79.05483	12.2
80.05013	2.4
81.03410	3.6
81.07052	3.2
82.06577	42.5
83.04993	15.4
86.00647	3.4
86.09724	14.4
86.99051	5.1
88.03995	11.9
91.05484	32.6
93.07046	4.0
95.04980	7.2
97.01118	90.0
97.06550	2.9
98.21495	3.2
98.97603	3.2
99.02674	3.6
105.00097	3.8
105.07019	24.3
106.06561	6.1
109.06535	4.9
111.77068	2.3
115.05468	4.0
116.07109	9.1
117.07021	22.4
119.08578	51.9
120.08888	3.3
121.06508	6.3
122.02712	8.1
123.02670	4.9
125.05998	6.3
128.06248	12.1
129.07013	45.4
131.08557	3.9
132.01170	13.8
133.10121	9.1
137.05939	2.8
137.09570	3.8
140.05295	10.9
141.05533	3.9
143.08569	34.8
145.06496	9.8
147.08043	70.7
153.06989	9.2
159.08104	5.4
161.04242	5.7
161.09605	15.7
163.07552	8.8
165.09116	7.9
171.08047	8.5
177.09090	2.8
179.05258	4.6
179.10706	4.6
186.05850	71.5
189.09102	39.6
205.08662	8.1
207.10168	90.7
208.10513	3.5
212.09927	2.4
221.06361	4.3
241.08907	3.8
248.56412	2.3
282.11371	2.4
328.12122	100.0
328.16055	5.2
329.12488	6.5
346.13437	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	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27418	0.9
53.03932	2.1
55.01860	3.2
55.05510	2.2
56.96556	4.0
57.03443	5.4
61.02925	10.0
64.61370	0.9
67.05501	1.4
69.03429	18.2
69.03795	0.8
69.07060	2.4
69.30861	11.6
70.06590	5.8
70.35226	1.0
71.04976	3.4
72.08133	2.9
73.02930	4.8
73.06516	1.0
76.00948	1.1
79.05492	4.8
79.42707	1.0
81.03427	8.4
81.07045	2.8
82.06567	1.2
83.04973	2.3
83.67097	0.9
84.04481	2.8
84.08134	2.0
84.96020	2.2
85.02908	100.0
86.09701	7.2
87.04478	2.5
91.03971	6.9
91.05470	6.3
93.07024	2.4
94.06621	1.0
95.04955	2.8
95.08602	3.0
96.08140	2.5
97.02292	1.3
97.02894	24.6
97.06519	2.3
98.20734	2.2
98.97577	10.6
99.04465	5.2
103.05476	8.7
105.07001	3.3
107.04932	3.8
107.08587	3.2
109.02883	8.6
109.10132	1.5
110.06023	1.0
111.04321	1.0
115.03923	1.5
116.07113	2.4
116.98624	7.1
119.01942	1.3
119.04925	1.2
119.08579	3.1
121.06511	71.5
121.10179	1.6
122.02792	1.3
123.04443	1.4
123.08062	1.6
124.07582	1.3
125.05920	1.0
126.09095	1.0
127.03919	28.1
129.07040	1.7
131.00110	2.5
131.04903	3.4
131.08562	4.6
132.10123	1.1
133.10104	1.8
134.99644	6.7
135.04390	2.1
137.05981	3.6
139.07532	3.5
141.06938	1.4
143.08578	1.1
143.70786	0.9
145.04965	43.3
147.04373	1.3
147.06779	1.2
147.07973	1.4
149.01155	3.1
149.05986	6.4
149.09616	1.5
150.05479	1.0
151.03854	1.3
153.06825	1.1
158.99678	4.9
159.08017	6.9
159.11697	1.5
160.97620	1.2
161.13243	3.7
162.09105	1.4
163.03897	1.5
163.06027	9.8
163.07303	1.8
166.05095	1.7
167.07048	14.6
169.09697	1.1
171.07979	1.4
173.01189	3.9
175.07596	1.7
176.07069	2.2
176.10617	1.3
177.00699	6.4
177.09181	6.7
180.08792	1.4
184.09656	2.5
189.09135	2.5
191.02289	4.6
195.06532	1.2
198.99121	2.0
201.00671	2.5
201.12384	1.2
202.98651	2.6
204.10284	2.8
213.09016	1.6
214.08629	2.4
216.10257	2.0
219.01727	2.9
223.07564	1.6
226.98701	4.9
228.10287	1.5
229.10896	12.1
230.11746	4.0
230.15640	1.1
231.13742	1.4
234.03958	4.6
234.54071	1.6
241.12108	2.2
243.06548	3.8
244.99736	11.7
250.08591	1.7
255.06541	16.0
256.07260	2.1
258.14914	15.4
261.13293	1.3
263.00662	1.5
268.99619	1.4
272.09204	5.5
273.13626	14.3
281.23938	1.1
285.11557	1.2
287.00726	3.2
302.17520	83.9
303.17810	2.4
329.09879	4.9
346.07748	1.5
346.12036	14.9
346.20111	66.7
347.12323	4.3
347.20361	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2036
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
56.96558	1.1
67.05482	0.6
71.19316	0.5
78.73631	0.5
81.07078	0.6
98.21590	1.2
133.10165	0.6
148.66380	0.5
152.99963	0.5
156.21028	0.5
163.03934	1.4
169.60210	0.6
184.43484	0.5
193.05028	0.7
266.15903	0.6
284.29572	1.2
303.10150	0.7
313.03140	0.5
313.15097	0.5
345.06314	2.8
345.20367	100.0
346.20572	6.4
346.33173	2.6
357.74927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73003	0.7
57.03447	0.8
58.99583	0.6
61.02919	1.0
67.05536	0.6
69.03433	2.9
70.06608	1.4
70.63205	0.8
70.63536	1.5
72.08160	2.2
78.08925	0.7
81.03414	1.4
82.06575	2.6
83.04964	0.8
85.02917	3.6
86.09663	0.7
91.05494	1.4
97.01125	4.5
97.02924	1.5
98.38985	0.6
105.07034	1.6
105.97934	0.6
109.02863	0.9
112.86435	0.7
116.07078	1.9
117.06999	1.2
119.08600	4.1
120.04440	0.8
120.83226	0.8
127.03949	0.9
129.07036	3.7
138.05476	2.4
140.05298	0.7
143.08572	2.5
144.74260	0.6
147.08051	5.1
148.03937	38.6
149.04254	0.9
153.07034	0.6
159.65562	0.6
161.09619	0.7
166.05006	89.4
167.05371	1.3
167.44954	0.7
184.06062	100.0
185.06480	0.7
186.05838	4.6
189.09135	2.5
196.08153	0.9
205.08682	0.7
207.10156	6.5
237.11119	0.7
241.10834	0.7
283.11560	1.2
328.12183	5.2
329.12155	1.0
346.07028	0.8
346.11337	3.9
346.15085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1157
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
53.62450	0.5
55.05495	1.8
56.48311	0.5
56.96555	1.4
67.05496	1.5
69.03412	2.6
69.07054	1.8
70.06590	3.1
71.05004	1.0
71.59129	1.0
72.08156	6.7
73.02879	0.8
77.47820	0.6
79.05507	0.6
81.03418	1.2
81.07025	1.2
83.04964	1.2
84.04481	1.2
84.08120	0.7
85.02911	3.0
86.09726	3.4
89.06037	1.4
91.05472	1.9
93.07022	0.7
95.04964	0.6
95.08614	0.9
96.08109	0.8
97.02879	1.6
97.06563	1.0
97.10145	1.4
97.38061	0.6
98.97579	3.5
99.04440	0.7
105.07009	1.0
107.04967	1.3
107.08617	0.9
109.02872	0.8
112.11246	4.1
116.98615	2.5
119.01904	1.7
119.08566	1.0
120.08111	1.1
121.06500	0.9
122.09734	0.7
127.00105	0.8
127.03912	1.1
129.10223	1.0
131.00171	1.1
131.01883	0.9
133.08575	0.9
136.03891	0.6
136.07582	0.7
137.06000	1.1
138.09116	4.7
139.12265	1.2
140.10681	2.1
142.03268	1.5
145.05025	0.7
145.10049	0.8
147.04410	2.2
149.01212	0.9
158.99622	1.4
161.02957	0.8
165.10222	0.9
170.02655	0.7
173.01172	1.3
177.00816	1.3
177.10205	2.3
183.11345	7.7
186.12415	0.9
187.00841	1.3
191.02313	1.4
191.03993	1.0
201.00781	1.1
214.11880	1.2
219.01813	0.7
226.98668	0.8
234.03850	0.7
237.02750	0.8
241.10374	0.9
244.99661	2.7
252.42903	0.6
259.11438	1.9
263.00739	0.8
271.04062	1.0
273.13461	0.8
277.11630	1.0
285.04080	0.8
296.05435	1.0
301.12573	13.0
301.15952	0.5
302.17542	2.0
313.03491	1.2
315.01385	0.8
328.08368	0.8
328.20688	0.9
330.03668	2.0
344.36365	0.6
345.06314	4.3
345.11526	100.0
345.20227	2.1
346.11792	2.8
346.20172	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19316	4.4
53.03946	5.5
54.28647	4.3
55.01875	5.6
55.05308	3.9
55.05518	46.8
56.05046	6.3
57.03436	13.4
57.07074	13.6
65.03945	7.6
67.05179	5.7
67.05511	80.9
69.03418	14.6
69.07068	37.7
71.04999	8.2
71.08630	40.4
71.58427	5.6
74.06076	16.5
79.05492	56.8
81.03445	6.6
81.07058	100.0
83.04969	22.3
83.08627	20.3
83.84026	4.3
84.50985	4.4
85.02912	4.8
85.06538	12.4
86.01698	4.1
88.07632	43.2
91.05483	39.0
93.07047	86.7
95.04998	25.5
95.08615	69.5
97.06526	24.2
97.10185	13.1
99.08115	37.0
100.11268	6.7
100.55198	5.0
105.07043	36.0
107.08591	34.8
109.06506	12.8
109.10151	20.5
111.08099	20.1
117.06998	9.7
119.08600	30.3
121.10179	28.2
123.08062	9.1
123.11714	11.3
125.09649	12.2
129.06967	5.4
131.08565	18.1
133.10127	31.5
135.08064	7.4
135.11700	29.9
139.07489	6.6
139.11194	54.3
143.08571	6.3
145.10123	11.2
147.11705	23.7
149.09564	4.7
149.13261	21.8
151.11176	17.8
157.08664	6.7
157.10138	12.1
159.11728	19.1
161.13261	15.5
163.11200	19.5
163.14798	7.3
171.11679	6.7
173.13371	4.8
175.11212	7.9
175.14923	10.3
177.12784	10.3
193.12273	10.0
195.13841	21.2
211.13100	4.9
217.19487	5.0
221.15245	7.6
228.88075	5.0
231.21046	6.6
241.19580	18.5
249.22198	10.0
259.20612	20.9
277.21625	86.0
291.23254	32.4
298.31110	12.6
309.24081	26.5
344.31586	76.6
344.35394	14.8
345.06122	20.2
345.20364	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03601	4.4
53.03942	6.1
55.01865	8.3
55.05506	19.8
56.96558	4.6
57.03427	19.3
66.41951	4.2
67.05507	41.3
69.03441	4.4
69.06737	4.3
69.07074	66.2
71.04987	23.7
71.58411	5.1
79.05499	52.4
79.07108	3.8
81.03416	25.5
81.07059	53.8
83.05000	9.3
83.08594	11.4
91.05486	32.1
93.07051	35.6
95.04955	37.2
95.08629	23.1
97.06531	100.0
97.10149	5.3
99.08096	5.4
103.05457	4.7
105.07011	24.0
106.06618	4.7
107.04941	12.7
107.08594	20.2
109.06527	19.8
109.10146	13.0
111.08052	6.7
115.07589	40.4
117.07010	15.4
119.08575	22.9
121.06541	9.7
121.10143	16.5
123.08067	7.2
125.09599	5.7
127.07590	5.1
128.06221	5.1
131.08583	23.3
132.38908	4.2
133.10152	12.4
135.08061	8.2
135.11667	9.6
137.05986	19.5
137.09686	8.2
145.10179	11.2
147.08002	5.5
147.11687	12.2
149.13171	8.9
157.10089	7.4
159.08037	8.2
159.11688	11.7
161.09605	4.5
169.10182	4.8
173.09665	7.3
173.11763	5.4
177.09102	13.6
177.12755	10.6
183.11653	6.4
187.07713	5.1
189.11159	5.9
195.13924	5.3
219.13797	7.1
223.13312	8.5
230.11601	4.9
233.11617	6.9
273.18457	8.8
291.19504	17.6
300.16006	20.6
302.17627	9.9
313.03323	8.5
314.07315	7.8
326.17615	6.3
330.03757	14.6
344.07321	5.9
344.12042	9.4
344.18594	85.6
344.22351	4.4
345.06189	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.9
55.05511	28.8
56.96560	9.2
57.03414	7.8
67.05499	42.0
67.35191	6.4
69.03426	19.0
69.07071	24.4
70.12083	24.8
79.05505	37.1
81.03396	15.3
81.07055	52.2
81.14021	7.1
83.04988	18.4
83.08627	16.9
85.02898	7.8
85.06566	7.1
91.05486	21.6
93.07058	44.5
95.04984	18.1
95.08607	29.0
96.84823	7.1
97.02887	9.2
97.06544	63.6
97.10175	28.3
105.07030	19.9
107.04949	17.2
107.08572	31.0
109.06542	13.9
109.10149	20.6
111.04457	14.0
111.08007	8.8
117.07017	11.7
119.08607	25.3
121.06525	9.8
121.10145	22.4
122.06071	11.8
122.83510	7.2
123.08064	24.0
125.09623	22.2
129.07007	9.6
131.08598	20.7
133.10114	13.6
135.11745	8.7
137.05968	17.8
143.08560	10.6
145.06516	7.7
157.10252	9.9
159.08086	15.6
163.07483	8.2
163.11214	17.2
165.09137	7.3
177.09061	13.1
179.10641	6.3
189.04097	8.3
189.11270	22.6
193.12389	11.1
227.12791	10.7
231.02837	8.1
267.09085	9.9
273.18521	16.8
276.96939	7.2
291.19580	100.0
300.15955	17.7
307.82648	7.7
309.20691	63.0
313.03409	9.3
330.03519	10.0
344.07281	10.9
344.18561	94.1
344.22266	17.3
345.05954	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
54.46194	1.0
55.01867	4.5
55.05505	6.7
57.03442	9.3
67.05502	21.7
69.03440	1.7
69.07063	32.2
69.47830	2.3
69.48235	8.9
70.41453	1.0
71.04994	10.9
73.02927	2.4
79.05488	25.3
81.03416	11.9
81.07055	22.6
83.04976	4.7
83.08620	3.5
85.06545	2.6
91.05476	15.2
93.07043	17.3
95.04964	18.4
95.08601	13.4
97.06527	100.0
97.10164	2.8
99.08099	4.0
103.05473	1.2
105.07027	12.4
107.04946	4.5
107.08607	10.6
109.06518	6.4
109.10152	6.8
111.08078	2.5
113.05979	1.7
115.07563	21.6
117.07021	7.7
119.08582	7.4
121.06501	4.0
121.10133	5.8
123.08060	2.1
128.09473	1.0
129.07025	3.5
131.08566	9.4
133.06468	1.8
133.10123	7.0
135.08067	3.4
135.11720	6.0
138.21484	1.1
143.08542	1.9
145.10080	6.2
147.08075	2.1
147.11670	2.5
149.09573	2.7
149.13245	3.7
151.11168	1.8
157.10136	1.7
159.08127	1.0
159.11708	8.9
161.09705	2.3
163.11217	1.1
171.11719	1.9
173.13286	2.3
175.11171	1.6
177.12738	7.5
183.11800	1.5
185.13309	1.9
195.13788	6.9
199.11169	1.3
201.12669	1.1
203.14282	1.2
217.15773	1.3
219.13792	2.0
221.15312	1.7
223.09488	1.0
223.13293	4.2
263.20023	1.6
265.24261	1.0
273.18484	5.9
291.19577	7.3
300.15839	1.4
309.20581	1.8
344.18622	5.6
344.22137	1.4
345.05750	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37135	21.4
55.05513	45.3
57.07062	55.9
62.58165	20.0
62.59710	25.0
69.07066	100.0
70.35213	74.6
71.08617	28.8
80.27483	20.2
81.33007	20.7
83.08624	64.8
96.24525	20.6
97.10161	99.1
98.21404	28.3
111.11725	47.4
121.30565	22.1
180.48920	21.4
214.94258	22.5
217.82950	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03932	6.0
55.01880	4.8
55.05499	10.0
57.03432	5.4
57.07064	4.8
59.04992	5.2
63.59364	2.0
67.05508	14.1
69.03415	9.1
69.07057	8.1
71.05012	12.6
79.05492	13.7
81.03429	3.3
81.07060	25.7
83.04967	5.1
83.08610	4.1
91.05488	21.9
91.91393	2.2
93.07047	51.8
95.04438	3.3
95.04977	36.6
95.08609	52.9
97.06544	15.2
103.05453	2.5
105.07037	61.8
107.04996	4.2
107.08598	46.4
108.53991	2.0
109.06530	12.0
109.10147	6.5
111.08094	3.2
115.05439	3.3
117.07031	21.4
119.08594	22.3
121.06524	12.9
121.10156	12.2
123.08089	19.9
128.06152	2.2
129.07037	4.4
129.66811	2.0
130.07846	12.3
131.08554	8.5
133.06474	6.7
133.10159	13.0
135.08047	19.8
135.11710	12.6
136.18831	2.2
137.09587	3.6
139.11191	2.6
142.07758	4.4
143.08568	8.7
145.06535	2.2
145.09056	3.9
145.10141	65.1
145.11288	3.8
147.08043	8.5
147.11696	3.4
151.07552	33.9
156.09335	2.5
157.10121	9.5
159.11681	7.8
161.09587	7.4
161.13210	3.9
163.07468	2.9
163.11186	49.8
165.09132	9.6
169.10135	4.2
171.11687	5.0
173.09641	4.1
173.13283	5.3
174.82326	2.1
175.11191	5.1
177.09114	3.1
179.07053	4.3
183.11630	3.3
187.11165	5.5
189.12744	5.6
191.14182	3.2
197.13289	2.9
201.12801	3.0
203.14349	7.2
207.13757	4.9
209.15329	3.2
211.14819	2.5
215.14308	3.2
221.15370	34.2
233.15436	5.3
263.16321	5.5
286.19360	3.4
287.16525	4.9
290.08875	2.2
307.20541	3.0
325.21548	11.6
343.19189	3.5
343.22696	100.0
344.07437	3.3
344.23016	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56696	1.5
55.01867	2.9
55.05505	20.7
56.96562	2.9
57.03436	3.4
57.07069	11.3
59.05006	4.8
60.38018	1.6
67.05499	24.8
67.52378	1.5
69.03417	8.2
69.07066	60.8
70.04070	3.4
71.04982	7.4
71.08637	3.2
71.13987	2.9
71.14314	2.6
73.02900	1.5
73.06579	1.5
79.05483	17.1
81.03407	3.1
81.07053	100.0
82.07398	2.4
83.04977	5.2
83.08609	20.4
85.02903	3.7
85.06552	20.5
91.05463	11.6
93.07040	35.1
95.04979	9.6
95.08602	63.5
97.06522	14.0
97.10147	4.2
98.97612	1.9
99.04480	2.7
99.08089	15.5
101.06030	2.3
105.07030	12.5
107.04956	4.6
107.08592	30.0
109.06518	7.2
109.10150	36.4
111.08067	23.1
111.11711	12.1
113.09650	2.0
117.07061	1.6
119.04839	1.8
119.08570	12.3
121.06505	2.6
121.10136	20.6
123.04428	1.7
123.08031	2.2
123.11705	58.4
124.12026	2.8
125.09651	4.5
125.13259	2.8
127.11167	12.6
131.08592	2.6
133.10127	6.2
135.11674	21.4
137.05978	4.0
137.09589	2.9
137.13260	15.4
139.11180	6.6
141.12714	2.2
145.10124	5.6
147.10643	1.4
147.11674	10.7
148.04001	1.6
149.09647	3.5
149.12222	1.8
149.13203	9.0
151.03914	4.5
151.11142	2.4
153.12738	31.5
157.10114	2.2
158.97635	72.6
159.11703	5.2
160.36769	1.7
161.13269	5.0
162.05505	4.0
163.07431	1.5
163.11200	6.6
163.14865	3.8
165.12717	9.9
167.14322	2.3
169.12146	2.2
171.13814	5.0
173.13155	2.1
175.14870	2.0
179.14316	2.7
181.05037	3.4
181.12250	4.3
183.13838	2.5
191.18004	2.2
193.15805	1.8
201.16316	2.8
208.33107	1.6
209.18965	2.6
215.17761	1.9
237.18544	4.3
246.11479	1.7
271.24203	2.0
274.98734	13.1
277.25272	5.7
289.17780	2.0
289.25235	7.2
295.26245	11.0
300.15985	7.8
307.26300	42.3
308.26700	2.7
325.27322	13.1
343.12234	4.6
344.01978	28.4
344.18427	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03949	2.3
55.01860	4.2
55.05508	11.5
57.03444	6.8
57.07072	6.4
59.04987	5.0
65.03941	1.7
67.05178	1.7
67.05508	17.6
69.03439	9.1
69.07064	11.8
71.04993	16.5
71.48092	1.3
79.05499	18.3
81.03399	2.3
81.07058	20.9
83.04984	4.5
85.06527	3.8
86.09590	1.4
91.05480	24.9
93.07047	49.3
93.07634	2.7
95.04971	40.3
95.08607	60.5
97.06538	15.2
103.05463	2.7
104.22004	1.3
105.07034	58.6
106.07326	1.7
107.04962	5.9
107.08594	44.2
109.06519	13.5
109.10138	3.9
115.05460	4.3
117.07021	23.9
119.04919	1.5
119.08589	20.7
121.06529	12.0
121.10168	15.4
123.08075	17.0
125.05992	2.5
125.30605	1.3
128.06213	3.4
129.06993	3.2
130.07811	10.9
131.08585	8.5
133.06442	4.7
133.10127	11.5
135.08060	22.9
135.11681	12.8
137.05981	5.7
137.09624	5.4
141.07040	1.6
142.07771	2.4
143.08554	7.3
145.06483	1.8
145.10124	61.5
146.10379	2.2
147.04445	2.2
147.08051	9.4
147.11673	4.6
149.05963	1.4
149.09596	3.8
151.07541	35.1
152.07814	1.1
153.09102	2.0
155.08528	3.0
156.09241	1.6
157.10158	7.4
158.97629	4.3
159.08127	2.3
159.11703	6.7
159.98018	2.8
160.97348	14.1
161.09663	7.0
161.13226	3.5
163.07542	4.0
163.11197	46.6
165.09122	12.7
169.10150	1.5
171.11694	4.6
173.09633	3.0
173.13240	3.7
175.11171	2.4
175.14984	1.4
177.09079	4.5
179.07097	9.1
179.10703	1.5
181.12201	2.3
183.11696	2.2
185.13272	2.0
187.11200	4.0
189.12697	7.0
191.10680	1.9
191.14314	3.0
195.11642	2.2
197.13312	3.1
199.11180	1.9
199.14851	1.7
201.12794	2.5
203.14395	6.5
207.12004	1.7
207.13843	5.5
209.13298	3.3
209.15211	2.4
213.12672	1.7
215.14290	2.5
217.12289	2.0
221.15379	23.6
223.14822	2.2
225.12669	1.6
225.16376	2.4
227.14465	1.6
233.15353	2.6
241.15833	1.4
243.13849	3.2
245.15475	1.5
263.16425	7.4
269.15326	3.9
281.19424	1.6
286.19220	3.7
287.16492	3.5
287.19745	2.1
318.10178	1.3
325.21585	8.6
343.08084	4.8
343.22690	100.0
344.07364	11.9
344.22787	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01854	2.4
55.05505	2.1
57.03437	3.6
57.07064	1.5
59.04979	0.9
60.10478	0.7
61.02924	5.3
67.05502	1.9
69.03439	14.6
69.07047	2.1
69.42509	6.3
71.04992	3.5
73.02887	2.2
75.96414	0.6
79.05501	4.0
81.03414	5.7
81.07068	7.4
83.04988	6.5
85.02906	32.2
85.06570	0.6
86.09678	0.9
87.04462	1.7
88.09563	0.6
91.03947	2.7
91.05471	4.7
93.07050	9.6
95.04971	19.3
95.08589	1.7
97.02898	10.8
97.06520	4.6
99.04446	3.0
103.03963	0.8
105.07037	6.7
105.16200	0.6
107.04978	1.9
107.08585	10.0
109.02884	4.1
109.06521	2.8
113.06047	0.8
115.03874	0.7
117.07042	3.2
119.08569	5.2
121.06491	3.6
121.10157	11.4
123.04503	1.0
123.08050	2.5
125.05998	15.3
125.25236	0.7
127.03911	8.1
130.07773	3.1
133.06471	1.5
133.10130	1.4
135.08051	0.8
135.11699	7.4
137.05969	1.8
137.09648	0.7
138.05501	1.0
143.08569	0.8
145.04985	7.3
145.10123	17.9
147.08058	2.2
147.11626	0.7
148.08789	1.1
149.73593	0.8
151.07584	1.2
161.09641	1.3
163.11186	100.0
164.11546	2.0
165.09058	1.4
165.12723	3.5
167.07111	0.8
175.11168	1.3
181.04965	3.0
181.12219	20.0
183.10294	1.1
186.43803	0.7
187.11179	1.1
199.05667	0.7
205.12277	2.3
223.13292	1.5
223.72818	0.6
300.15805	1.1
305.19559	0.8
307.15375	1.9
343.04318	1.1
343.17480	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.1
56.96569	11.7
57.03436	8.9
57.07084	5.4
59.05007	5.6
59.77207	3.6
67.05500	17.5
69.03410	5.7
69.07068	8.8
70.76788	13.9
71.04990	13.4
74.93182	6.0
79.05496	15.2
81.07047	19.4
88.63351	3.3
88.87711	3.6
91.05492	21.8
93.07056	50.1
95.04980	35.9
95.08614	50.9
96.95284	3.4
97.06521	23.2
99.04427	4.2
105.07037	58.5
107.04949	7.9
107.08597	36.0
107.70325	3.2
109.06534	9.3
109.10149	6.4
109.39235	3.6
115.05473	6.1
117.07036	15.0
119.08604	16.7
121.06543	10.8
121.10165	14.5
123.08076	13.0
128.06195	3.8
129.07056	4.2
130.07770	11.5
131.08575	12.4
133.06589	4.4
133.10143	12.7
135.08078	19.7
135.11729	13.8
137.09633	6.9
143.08566	11.1
145.06544	4.5
145.10144	56.5
147.08067	14.8
147.11700	9.0
151.07564	34.6
155.08612	3.6
157.10173	12.3
159.08197	5.3
159.11702	10.7
161.09627	7.1
163.11183	44.0
165.09077	11.3
169.10143	5.0
175.11307	4.1
187.11270	5.3
189.12715	8.1
190.07544	3.6
196.98337	4.3
197.13214	3.6
201.12596	3.7
203.14389	9.3
207.13884	5.8
209.15363	4.9
213.07068	5.7
221.15378	23.7
231.08043	7.6
233.15567	4.3
241.06543	6.8
242.07201	12.7
247.07564	9.2
263.16537	6.9
270.06763	5.5
271.07233	7.1
274.08743	14.6
275.06979	10.1
277.04169	17.7
279.03912	12.5
305.03854	8.9
307.03439	7.3
317.05075	8.8
323.04684	73.0
324.05066	29.4
325.04474	52.2
325.21750	13.1
326.04688	4.4
332.03455	6.5
333.04022	6.3
335.06097	10.9
342.52353	4.3
343.01563	19.8
343.18756	7.6
343.22714	100.0
343.52020	7.5
344.02216	6.1
344.09064	6.5
344.22665	5.3
352.02280	11.1
361.03720	8.8
363.03729	6.7
363.53317	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99306	0.5
56.05050	0.6
59.28762	0.6
66.53790	0.7
69.13366	0.6
70.12643	3.0
73.82232	0.6
77.98947	0.5
119.01892	2.2
137.02966	0.7
142.03476	0.7
159.06174	0.9
176.02518	0.8
177.00923	8.8
178.01105	1.8
179.00795	1.1
183.00043	0.8
183.06148	2.7
201.07198	4.0
216.98857	1.2
218.03612	2.5
219.01984	15.8
219.03928	1.2
220.02068	5.0
221.01793	4.4
222.97917	1.3
234.99957	7.9
236.00058	1.4
236.99586	0.8
240.98976	2.1
242.03551	1.1
243.01822	1.1
253.01060	3.9
258.03125	0.7
259.00000	20.3
260.00168	2.5
260.04657	2.0
261.00171	1.5
261.03021	14.7
262.00595	0.7
262.03253	2.6
263.02817	1.3
264.99033	2.0
277.01050	25.8
278.01199	3.2
278.03943	1.1
279.01089	2.2
280.01083	0.9
282.01398	1.0
282.99988	45.8
283.06372	3.8
284.00156	7.3
284.04782	1.1
284.99857	1.3
285.99661	0.7
301.01062	100.0
302.01089	14.6
303.01053	3.9
304.01004	1.9
318.99069	0.9
319.02206	7.9
320.02042	1.0
324.02728	4.7
325.00833	7.2
325.07150	1.3
326.01038	1.1
343.02124	53.5
343.07983	3.3
344.02252	7.9
361.03229	18.2
362.03204	2.5
366.03769	3.4
369.86597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	21.1
55.05516	30.3
55.94881	4.9
57.03424	6.7
57.07091	31.2
67.05505	49.8
69.03417	8.2
69.07064	22.2
69.26542	56.2
69.26965	5.9
69.27087	4.4
71.08627	12.1
76.31329	5.2
79.05492	23.8
81.03432	8.0
81.07065	56.6
83.04999	11.5
83.08614	16.7
85.06508	5.6
88.79536	5.1
91.05492	35.4
93.07063	33.4
95.04980	16.6
95.08619	33.2
97.06558	8.1
97.10164	10.6
105.07058	34.2
107.08600	33.1
109.06540	8.4
109.10159	49.0
119.08567	14.0
121.10126	10.5
123.08057	8.3
123.11723	16.2
125.09658	15.2
131.08569	8.9
133.10141	71.2
135.11746	10.5
137.09641	7.4
145.10112	8.6
149.09627	11.4
151.10106	7.4
151.11217	64.1
163.11224	9.4
174.18483	7.9
183.13814	21.3
195.76440	5.4
241.36292	6.5
247.20566	5.9
257.19055	8.5
275.20074	39.7
283.26297	6.7
293.21158	9.2
307.22672	23.3
327.32788	6.2
342.26907	17.5
342.30826	45.2
342.37296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
55.05508	61.7
67.05497	18.3
69.07050	20.9
69.43118	33.9
69.43536	12.4
79.05502	29.0
81.03432	5.9
81.07059	34.2
82.73707	4.9
83.08620	33.2
91.05473	18.8
93.07038	19.2
95.04951	8.1
95.08602	21.3
97.06525	6.4
97.10150	64.8
98.20750	9.3
105.07034	68.8
106.07334	5.5
107.04945	8.2
107.08600	87.6
109.06534	12.6
115.31354	5.2
119.08591	16.6
125.09628	64.6
131.08626	6.1
133.10089	11.7
135.08026	17.7
137.05946	6.7
141.14235	4.8
145.10112	20.2
147.11650	14.4
159.11775	7.6
163.11209	9.4
165.12749	5.5
197.15359	5.4
203.12770	100.0
257.19098	12.1
272.57425	7.0
275.20016	58.2
289.21646	22.2
298.67447	6.1
307.22681	19.0
342.20609	25.2
343.18762	10.0
343.22455	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.9
55.01888	11.5
55.05516	48.4
56.05024	9.6
56.96563	6.5
57.03432	9.6
67.05510	79.0
69.07077	86.5
69.70998	6.2
70.77136	23.0
71.05004	11.7
71.43877	6.6
79.05494	79.6
81.03414	15.1
81.07065	87.7
83.04984	15.4
83.08611	28.4
89.65613	6.9
91.05486	55.0
91.39673	7.7
93.07057	71.1
95.04966	25.8
95.08605	74.9
97.06532	19.9
97.10151	31.8
105.07024	58.0
107.04951	20.6
107.08591	71.2
109.06521	20.7
109.10184	51.8
111.08118	10.1
117.07050	26.6
119.08566	46.7
121.06512	11.5
121.10119	40.2
123.11711	7.7
125.09634	40.9
125.78105	6.6
131.08565	25.5
133.10167	22.9
135.08095	13.4
135.11697	13.6
137.09630	20.0
143.08621	8.8
145.10138	28.2
147.11691	28.5
149.09641	15.6
149.13281	10.2
149.56502	7.1
153.09200	9.1
157.10130	8.2
159.11722	20.5
162.74390	7.2
163.11240	8.7
173.11734	25.8
173.13251	15.7
183.11815	8.9
185.13252	6.9
193.59431	7.6
199.14693	7.3
203.12781	43.2
218.41080	7.5
257.19049	11.4
264.73129	6.6
275.20090	100.0
289.21548	22.8
307.22760	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.4
61.02916	5.9
67.05521	9.9
69.03424	16.1
70.06609	6.3
71.08630	7.4
71.58870	7.2
81.07045	14.9
85.02914	35.5
86.09708	7.4
95.04953	9.8
97.02884	21.9
99.08080	30.8
109.02856	8.0
109.06508	24.2
115.28909	4.9
116.98617	5.9
117.09131	100.0
121.02853	6.1
123.04486	6.3
127.03919	18.6
127.07571	60.9
137.05948	6.9
139.03873	7.9
145.04971	8.8
145.08575	21.3
163.03836	13.4
163.09732	32.0
178.05151	5.9
179.03348	8.3
180.03783	13.4
180.06560	20.0
180.08739	11.2
181.04961	18.9
201.28082	5.5
290.08798	6.0
313.40915	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	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01878	1.9
55.05515	6.9
56.96563	1.0
57.03444	2.0
57.07071	10.6
61.02913	1.8
65.03915	1.3
67.05508	1.9
69.03437	6.0
69.07095	0.7
69.87224	2.8
69.87633	2.4
70.06595	8.8
73.02922	1.0
78.37132	0.9
79.05484	1.0
81.03430	5.7
81.07059	1.2
83.08629	3.5
85.02906	16.8
86.09716	2.6
89.06026	27.4
91.05474	2.0
93.07042	1.2
97.02878	6.2
97.06545	1.6
98.21564	1.1
98.97591	1.4
99.04497	0.9
101.09653	13.3
107.04953	1.4
107.07075	28.0
109.02873	3.2
109.06593	0.9
116.98647	1.7
121.06474	0.9
123.04454	1.5
127.03918	2.8
130.08636	1.1
134.43307	0.9
134.99608	0.9
137.05989	2.3
140.04674	2.8
145.04958	3.9
162.05444	1.5
163.13295	100.0
171.06520	1.0
180.06532	10.5
180.07863	1.0
181.04964	29.4
183.14966	2.4
199.06088	1.4
211.14438	2.0
239.08730	1.0
261.08142	1.7
272.05685	1.0
302.04330	1.3
315.05212	1.1
319.10742	1.8
325.09210	3.5
342.06253	1.9
342.23505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
57.03439	0.6
68.18631	0.4
69.03417	1.8
69.07039	0.5
70.06590	0.8
71.04994	0.6
71.06109	0.5
71.26395	0.6
71.26732	0.7
74.06085	0.4
75.70485	0.5
76.37520	0.4
81.03397	0.9
81.07011	0.5
84.08135	0.7
85.02901	4.6
91.05485	1.5
97.02882	1.7
98.97581	0.6
99.04463	0.6
99.08111	0.5
105.01862	1.7
109.02873	1.2
110.03497	3.1
119.04948	1.9
127.03910	2.5
128.04514	0.7
135.03017	0.5
135.04430	1.2
137.05988	13.5
137.08215	1.7
139.03902	0.6
140.07063	0.6
145.04930	1.3
149.49422	0.4
151.03966	0.5
153.04063	1.9
162.05537	2.5
162.07713	1.2
163.03908	0.6
165.06456	0.9
169.72769	0.5
180.06548	58.3
180.08803	100.0
181.06937	1.0
181.09108	1.3
189.42558	0.5
198.98534	0.6
222.07437	0.8
229.40395	0.5
231.05016	0.6
271.69931	0.4
342.11523	13.4
342.17993	0.6
343.12384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	23.8
57.03429	13.7
57.07074	44.2
59.69944	9.6
66.48962	11.3
67.05493	40.0
69.07069	23.2
70.17709	27.0
70.18107	19.5
71.04984	17.8
71.08627	36.8
79.05505	14.1
81.07051	100.0
83.08620	25.8
85.10233	11.7
91.05464	18.5
93.07043	32.6
95.08604	87.3
97.06617	10.7
97.10187	17.6
99.08065	11.4
104.90545	11.4
105.07028	35.7
107.08592	46.7
109.10150	39.1
111.08095	15.0
119.08566	72.1
121.10160	36.2
122.61326	9.7
123.11711	22.7
131.08589	11.8
133.10132	19.1
135.11693	19.7
145.10118	19.1
147.11649	11.5
149.13268	18.2
159.11717	20.5
161.13269	15.3
162.01936	10.1
163.14792	24.7
171.11647	13.1
175.14803	14.1
187.14935	14.2
191.17953	13.6
252.98274	10.3
255.06975	10.2
266.12509	9.9
283.24091	37.1
323.27255	32.5
341.26889	37.6
341.30304	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
56.96556	0.5
57.03418	0.6
61.02926	0.7
63.51045	0.4
65.42702	0.5
67.02986	0.5
69.03418	2.1
69.93124	1.8
69.93533	0.9
71.04987	0.7
73.02904	0.6
73.06567	0.5
79.72999	0.4
81.03425	0.6
81.07039	1.3
83.50006	0.5
85.02432	0.4
85.02907	5.3
91.05445	3.5
97.02879	1.8
98.97600	0.6
99.08088	0.9
105.01846	0.6
105.83257	0.4
109.02879	0.6
109.06505	1.5
117.09135	6.1
119.04937	2.4
127.03918	1.3
127.07579	2.4
134.06006	0.5
135.04449	1.0
137.05975	22.4
139.03926	0.9
145.04990	1.4
151.03902	1.1
152.07045	1.0
162.05527	3.0
163.03911	2.9
163.09662	2.7
180.06557	100.0
181.06870	1.9
192.06471	0.5
342.11819	10.0
343.12259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Xestosaprol A
Peak:m/z	Relative Intensity
51.91374	1.7
57.03433	2.1
61.18562	1.9
67.05496	3.8
70.85548	1.8
71.58847	3.9
74.84568	1.8
76.31049	2.1
79.05486	3.5
81.03405	2.5
81.07031	3.0
83.08608	2.5
91.05464	4.6
93.06999	2.6
95.04999	3.8
100.10967	2.1
105.03392	8.2
105.07056	3.3
107.04930	8.2
112.47612	1.9
115.05453	3.2
129.07004	4.1
131.04921	2.3
133.06410	3.5
135.11678	2.4
137.05984	12.1
138.06349	3.2
141.07004	2.7
145.06476	2.9
147.04427	2.4
147.08060	2.2
147.11618	2.0
147.66331	2.0
149.05946	2.7
151.92897	2.0
153.18880	2.0
157.06493	6.2
161.06026	3.7
163.07550	3.5
167.07082	4.5
177.05513	2.1
180.59096	1.7
185.05984	5.8
187.07541	1.9
187.11197	3.4
202.07817	6.4
205.04936	4.8
213.05420	2.1
217.10107	7.7
223.05983	6.6
226.07831	3.1
227.08392	3.5
245.09627	16.8
255.08121	6.8
272.08282	10.6
273.09088	100.0
274.09457	6.2
281.11578	3.1
287.10718	6.1
295.13272	6.6
300.81879	2.2
305.11694	46.8
306.12088	2.7
323.12766	54.1
324.13028	4.2
333.38788	2.0
338.46054	1.8
341.13818	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	341.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01859	14.6
55.05516	61.6
56.96565	4.5
57.03435	5.9
63.03305	4.3
67.05501	48.2
69.03410	10.9
69.07061	26.0
70.68718	3.5
71.04990	17.0
71.58731	5.3
79.05499	34.6
81.03418	19.5
81.07059	90.3
83.04978	20.2
83.08621	43.8
85.02916	4.1
91.05463	27.1
93.07040	30.9
95.04974	28.9
95.08604	20.1
97.06526	12.7
97.10169	72.1
99.08083	14.6
101.06048	5.9
105.07055	26.6
105.07642	5.3
107.04958	41.6
107.08595	32.8
109.06541	6.3
109.10172	19.3
111.04398	11.5
111.08073	10.9
117.07010	10.8
119.04919	3.9
119.08565	22.5
121.06510	8.3
121.10130	11.9
123.08093	33.6
125.09625	69.6
129.07043	9.9
129.50163	3.6
131.08598	7.9
133.10146	12.7
135.08044	15.2
135.11690	11.1
137.05980	9.2
137.09619	10.7
139.11156	4.5
143.08540	7.1
145.10149	19.5
147.08038	10.2
147.11681	8.9
149.05975	19.7
149.09650	4.9
149.13301	5.8
153.09067	14.7
157.10135	11.1
157.12218	4.4
159.07982	5.9
159.11681	6.8
159.69153	3.6
161.09615	4.2
163.04065	4.4
163.11206	38.3
164.11577	4.1
165.09143	9.3
169.10141	3.8
173.09552	3.7
173.47513	3.8
175.07567	4.1
175.11166	9.4
177.08916	3.7
181.12242	8.4
185.13335	5.6
187.07420	5.3
189.11221	28.8
193.12224	14.6
203.12755	43.0
219.13902	4.7
225.14951	5.1
227.12804	5.8
260.07568	3.8
267.12292	32.1
273.18484	33.9
291.19522	100.0
292.19669	5.8
305.21298	21.3
309.20557	12.6
323.18613	7.4
323.22165	48.8
341.13770	5.2
341.21078	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	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02385	0.2
53.03939	0.3
56.96549	0.2
57.03418	0.4
61.02913	0.7
69.03434	1.0
69.07054	0.2
70.25993	0.7
72.08149	0.2
73.02919	0.2
77.03873	0.2
79.05487	0.2
81.03412	0.7
84.08102	0.2
85.02914	2.4
87.04487	0.2
89.03906	0.3
91.03915	0.2
91.05826	0.4
97.02898	1.2
98.97584	0.2
99.04478	0.2
105.03369	0.3
107.04931	0.2
109.02873	0.6
109.15685	0.2
117.03378	0.3
119.04950	0.3
119.08545	0.3
120.05309	0.2
121.06480	0.3
123.04432	8.4
127.03928	0.5
133.01846	0.4
133.02856	7.3
135.04393	1.6
137.05949	0.4
145.04889	0.3
147.04395	0.5
148.04724	0.3
149.04964	0.2
151.02721	0.3
151.03906	3.9
157.06093	0.2
163.03951	0.2
177.47223	0.2
179.03392	100.0
180.03685	1.3
188.54935	0.3
191.97365	0.2
195.83665	0.2
197.14268	0.1
208.25623	0.1
219.72539	0.2
232.04620	0.2
251.56642	0.6
260.56921	0.4
293.26151	0.2
324.12415	0.2
341.08463	2.5
358.07898	0.2
359.02951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48960	1.2
51.64923	1.0
55.01865	2.5
55.05312	1.3
55.05517	15.4
57.03431	1.1
57.07071	1.2
67.05509	13.5
69.03426	3.2
69.07069	15.8
69.86964	7.2
73.01324	1.2
74.87038	1.0
79.05492	10.6
81.03424	2.4
81.07063	10.3
83.04989	3.1
83.08615	9.0
85.57182	1.1
91.05476	7.3
93.07052	8.5
95.04964	4.1
95.08620	7.3
97.02882	3.4
97.10175	12.9
105.07058	5.8
107.04972	3.5
107.08578	10.1
109.06523	1.9
109.10133	2.8
117.06989	2.5
119.08594	7.3
121.06485	1.9
121.10136	2.7
123.08068	2.8
125.09620	9.1
129.07030	1.3
129.77167	1.2
131.08554	3.2
133.10138	1.9
135.08061	4.0
135.11748	2.0
137.09624	2.4
143.08531	1.4
145.10167	2.9
149.09694	1.4
153.09183	1.4
159.11679	1.4
161.09668	1.9
162.10347	1.2
165.08983	1.5
189.11235	1.3
203.12790	6.1
223.13307	8.8
237.14815	2.4
249.14815	2.3
255.17532	1.6
273.18478	6.6
275.14145	1.2
291.19550	100.0
292.20032	6.6
305.21188	9.6
323.22214	2.0
348.65881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01871	5.2
55.05516	1.4
57.03437	6.3
57.40437	1.1
57.49977	0.9
61.02937	5.9
68.99786	2.4
69.03433	36.1
70.06587	2.3
70.11362	2.2
70.11754	2.0
71.04986	4.6
72.08149	1.0
73.02930	4.9
75.03293	1.1
81.03421	19.4
83.05007	1.2
84.08111	1.1
85.02910	100.0
86.03255	1.4
87.00832	44.5
87.04455	1.1
91.05463	2.1
93.13855	1.1
97.02895	34.6
99.04451	13.5
102.42077	1.0
102.72379	1.0
103.03986	1.4
105.01871	86.0
108.04510	2.1
108.17220	0.9
109.02886	28.8
112.92661	0.9
115.03947	1.4
117.01842	1.1
117.03365	1.3
119.04961	2.4
120.05291	2.7
120.08110	1.0
122.06040	0.9
123.02914	1.5
126.96423	1.1
127.03922	65.9
129.01852	2.4
137.05986	3.5
145.02924	2.7
145.04967	27.4
146.03185	3.7
147.02942	1.6
147.04395	9.2
148.04747	9.1
159.02890	8.6
162.05501	2.4
177.05440	4.8
178.06010	6.4
178.08621	1.7
189.03946	2.5
213.04085	1.6
218.11839	4.0
222.07623	4.3
231.04987	21.8
249.06065	10.5
269.07828	1.2
278.13861	3.3
291.11060	1.2
313.68143	1.0
322.16672	5.6
324.08578	2.4
340.08115	1.2
341.10934	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01863	5.0
55.45245	1.2
57.03434	5.9
61.02924	5.6
69.03432	36.8
69.07071	1.4
69.41795	2.7
69.42197	10.7
71.04988	4.2
73.02909	6.2
77.43661	1.1
78.70567	1.2
80.06855	1.1
81.03416	22.3
83.61950	1.2
84.04501	2.0
85.02906	100.0
87.00832	51.0
87.63808	1.2
87.86020	1.2
91.03949	1.7
91.05476	1.9
95.12579	1.3
97.02894	33.4
98.97556	2.3
99.04457	12.3
101.02390	1.7
105.01865	88.5
108.04472	2.0
109.02881	28.0
114.89454	1.3
117.01872	1.2
119.04942	4.9
120.05267	3.1
123.04446	1.6
127.03917	78.5
129.01877	1.8
137.06027	2.1
145.04953	32.6
145.05989	2.3
147.03151	1.9
147.04420	19.0
148.04753	15.6
159.02867	9.7
177.05540	1.5
178.05835	1.3
189.03955	4.2
213.03969	2.5
218.11758	2.3
231.05011	26.8
248.07628	1.7
249.06061	11.5
278.13828	3.0
340.22281	1.7
358.08044	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01863	6.9
56.96579	1.8
57.03423	7.0
57.21354	1.5
61.02925	5.9
68.99788	1.9
69.03077	2.7
69.03429	36.1
70.06590	2.6
71.04977	6.1
71.10445	4.2
73.02921	8.5
79.05463	1.4
81.03418	22.3
83.04974	2.7
84.04491	2.7
84.08157	2.3
85.02905	100.0
86.09719	2.1
87.00831	48.1
88.10668	1.5
89.77785	1.4
91.03970	2.6
91.05438	2.0
95.04992	2.7
97.02899	33.4
98.97592	2.3
99.04454	13.8
105.01865	81.7
108.04441	1.8
109.02879	27.3
110.07157	2.9
115.03951	1.9
116.98676	1.9
117.03392	4.7
118.03717	5.0
120.08095	2.5
123.02863	1.9
127.03918	77.4
129.01837	2.7
130.05035	4.2
131.08635	2.1
145.02905	10.6
145.04951	32.8
146.03207	10.9
146.04201	1.6
147.03009	2.2
149.05968	2.2
159.02888	13.7
177.05484	19.5
178.05850	26.1
189.03845	3.9
194.32106	1.6
211.13362	1.7
213.04010	3.4
220.06421	3.0
231.05020	25.2
249.06133	9.6
260.09586	1.6
322.09888	2.8
340.11060	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01861	4.7
56.96559	3.5
57.03432	4.9
61.02925	6.9
68.99780	1.5
69.03071	2.7
69.03432	35.7
69.03808	2.2
69.46388	12.4
71.01337	1.3
71.04995	5.2
73.02917	6.3
81.03416	24.5
84.96013	1.5
85.02908	100.0
86.03212	1.5
87.00294	3.1
87.00829	51.2
87.04470	1.3
91.05480	10.1
92.05827	2.2
97.02894	31.0
98.20685	2.3
98.97582	4.4
99.04469	12.8
105.01868	97.7
105.79881	1.2
108.04477	1.8
109.02876	25.5
113.37757	1.2
115.03915	2.0
116.98653	2.8
117.01910	1.3
119.04960	15.1
120.05276	5.0
121.06422	1.3
123.02979	1.3
127.03922	84.1
128.28224	1.3
129.01848	2.4
134.99654	1.6
137.06059	1.4
145.04961	39.4
146.99661	1.6
147.04410	49.0
148.04747	33.9
149.04871	1.2
159.02892	10.9
177.05418	2.1
178.05887	2.9
189.03990	3.4
213.03922	3.8
218.11777	3.0
231.05006	26.3
231.07195	1.8
237.02805	4.1
248.07629	1.5
249.06071	13.4
278.13910	4.7
322.16455	1.8
340.07227	1.4
340.17673	2.5
358.08218	10.7
359.08176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1027
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03932	0.6
57.03423	1.0
61.02916	1.0
69.03429	4.0
70.06576	0.9
70.82355	1.2
71.04982	0.9
73.02908	0.8
73.53290	0.4
81.03397	2.3
85.02905	8.3
86.09687	0.7
87.04490	0.5
88.14027	0.4
91.05464	0.6
97.02897	2.9
97.28299	0.4
101.02357	1.9
101.81287	0.4
104.04961	0.8
109.02850	1.7
109.84501	0.4
115.47863	0.4
115.99822	0.5
117.03387	0.6
118.03706	0.5
118.28439	0.4
119.02637	0.6
119.03421	9.6
124.57559	0.4
127.03922	3.5
132.04434	4.9
137.05984	0.8
143.10628	1.0
145.02805	1.1
145.04924	1.2
146.03183	1.6
147.04407	1.3
148.04712	1.8
157.51422	0.4
163.03836	0.5
163.24411	0.4
177.05467	2.5
178.04973	100.0
179.05322	2.0
183.59486	0.4
245.06549	1.0
284.05017	0.5
322.09958	0.7
340.10535	1.4
341.11765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61755	0.5
55.05488	0.5
70.64818	1.5
70.65168	0.7
80.20783	0.6
93.07051	0.5
97.02963	0.5
107.04948	2.4
108.05243	0.8
119.08430	0.6
120.95653	0.7
131.04924	0.9
137.05992	5.4
138.06326	2.9
149.05936	0.5
157.06541	0.6
177.05515	0.8
178.05743	1.0
189.07082	0.9
190.09550	0.9
215.08643	0.9
215.10559	1.1
217.06487	0.7
218.07269	4.9
219.08017	1.1
231.08076	0.9
234.06772	1.8
237.09009	0.8
245.05988	16.5
246.06747	2.7
247.07500	5.4
259.07559	2.4
262.06241	13.6
263.06638	1.0
273.05490	14.1
274.05811	0.9
289.04953	8.5
290.05646	2.9
291.06503	9.9
292.06888	0.9
299.97714	0.6
305.08090	100.0
306.08514	5.2
340.12216	0.7
340.15903	3.0
343.57764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.06239	1.9
53.03932	2.9
55.05514	20.5
57.03450	15.2
57.07067	5.8
64.16215	2.0
65.03936	3.0
67.05504	100.0
68.05827	2.7
69.03452	2.3
69.07065	16.9
70.30753	10.2
71.04989	4.7
71.08609	2.6
75.04479	3.3
79.05058	3.7
79.05497	49.0
81.07060	96.8
83.04979	6.4
83.08609	14.0
85.06530	7.7
91.05483	24.8
93.07044	57.6
94.07363	2.8
95.04959	11.0
95.08608	89.2
97.06525	5.6
97.10158	8.7
98.97574	5.0
99.08077	4.4
103.05480	2.4
105.07031	29.0
107.04960	15.2
107.08594	48.9
109.06532	15.5
109.10155	62.4
111.04398	3.8
111.08095	4.8
113.05984	5.2
116.98620	5.3
117.07016	8.7
119.08594	24.0
121.06483	5.1
121.09317	3.3
121.10149	42.5
122.03647	3.3
123.08060	3.8
123.11691	20.4
125.09617	9.4
129.07033	5.8
131.04913	5.7
131.08565	21.6
133.06503	3.4
133.10144	17.9
135.08057	4.3
135.11703	30.8
136.11984	2.4
137.05978	56.6
137.09630	5.0
137.13249	6.3
138.06305	2.6
145.02795	4.3
145.10133	24.2
147.11681	18.3
149.09526	2.7
149.13289	20.0
155.08513	2.5
157.06538	3.6
157.10107	2.7
159.08081	10.6
159.11687	20.6
161.13251	4.5
163.07530	7.4
163.11182	2.6
163.14822	8.5
171.11644	2.4
173.13225	8.7
175.07501	3.1
177.05476	8.4
177.12773	3.8
187.14856	5.9
189.09251	3.9
189.11157	2.6
189.12801	2.7
215.10672	5.5
219.21107	6.3
229.19524	43.0
230.19876	2.3
247.20590	96.0
247.23138	4.6
248.20947	2.6
253.16008	3.0
261.18442	6.1
265.21823	3.9
271.16782	2.7
274.97443	9.1
283.16968	16.0
289.17966	20.1
292.98520	5.8
307.19128	3.5
321.20544	9.3
321.24252	15.3
339.02344	4.5
339.16031	10.5
339.25427	33.5
340.25641	2.5
345.35382	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.36223	2.3
53.80973	2.1
55.05508	19.6
57.03423	7.4
57.07066	9.0
59.59150	2.4
65.03930	4.0
67.05505	86.6
69.07066	23.2
69.76467	5.2
69.76867	15.7
71.04993	3.7
71.08619	4.2
79.05494	48.0
81.07056	100.0
83.05029	3.1
83.08617	13.6
88.93832	2.4
91.05480	21.6
91.96341	2.4
93.06470	4.3
93.07047	63.7
95.04964	7.2
95.08606	94.8
96.08949	2.8
97.06522	4.8
97.10163	7.1
98.20733	3.6
98.97553	3.0
99.08104	4.1
105.07030	22.7
107.04961	8.8
107.08588	38.9
109.06520	7.8
109.10155	50.8
109.10836	4.8
111.08101	4.7
115.13313	2.4
116.98654	4.2
117.06985	10.9
119.08590	22.8
121.10147	52.6
122.03639	3.0
123.11709	25.4
125.09626	2.8
129.05385	3.3
129.07036	2.9
131.04945	3.8
131.08600	19.3
133.10129	22.2
133.79250	2.3
135.08041	3.2
135.11682	30.8
137.05975	36.3
137.09593	2.6
137.13217	6.2
139.11176	3.5
145.10132	19.5
147.11690	21.7
149.13277	27.4
151.11171	3.2
159.11690	20.2
161.13258	5.9
163.07501	3.3
163.11160	3.4
163.14825	10.6
165.12726	3.7
173.13196	15.2
175.11081	4.3
177.05533	3.7
187.14853	6.7
197.11668	2.4
215.10675	4.7
219.21124	2.9
229.19508	34.7
247.20573	95.6
248.21021	5.0
265.21655	7.6
274.97470	3.5
283.16959	23.5
289.17923	4.6
292.98532	4.8
321.24033	15.5
322.27524	5.7
339.06058	4.1
339.09851	5.9
339.16006	5.3
339.25262	33.0
339.29620	4.7
340.25775	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	19.7
55.01875	7.2
55.05515	38.2
55.93996	3.2
56.62349	3.4
57.03431	13.0
57.07090	4.6
59.04990	3.2
60.60705	3.2
62.98252	5.2
67.05505	66.2
68.49197	3.3
69.03427	4.7
69.07069	19.2
69.93572	13.3
71.04994	36.1
79.05496	59.3
81.03416	37.9
81.07056	100.0
83.04982	35.2
83.08607	15.7
85.06532	7.9
86.09652	3.0
89.06017	4.2
91.05477	42.3
93.07043	58.7
95.04973	28.9
95.08612	58.6
97.06525	10.5
97.10173	8.2
98.15800	3.5
101.06015	5.5
105.07032	41.6
107.04964	28.7
107.08598	34.2
109.06512	37.4
109.10169	16.2
109.47772	3.8
110.00743	3.4
110.85075	3.0
111.08098	6.5
116.98586	3.7
117.07019	21.0
118.35041	3.2
119.04920	3.9
119.08588	32.1
121.06551	18.8
121.10138	18.2
123.04427	5.7
123.08032	17.1
129.07007	10.9
131.04958	3.9
131.08568	25.7
133.06519	9.2
133.10162	24.5
135.08055	14.4
135.11681	14.4
137.06001	32.6
137.09607	7.7
138.65332	3.3
141.06979	5.6
141.11150	3.4
143.08554	11.6
145.06532	12.0
145.10139	24.3
147.08081	8.4
147.11671	18.5
149.05893	4.3
149.09680	9.3
149.13336	8.1
151.07593	4.7
155.08560	9.2
157.10147	14.6
159.08084	15.1
159.11708	28.7
161.09654	12.4
161.13243	8.4
163.07590	9.1
163.11221	9.9
169.10135	8.2
171.11723	15.1
173.09656	8.8
173.13243	7.2
175.11226	12.8
177.05501	3.7
177.12805	7.4
183.11723	7.4
185.13287	6.3
187.11240	10.0
187.14836	5.2
189.12737	6.3
197.13300	5.0
201.12759	6.2
205.12241	4.2
207.13824	15.0
213.16431	4.5
215.14235	4.2
217.12329	4.7
219.13861	11.9
225.16447	5.9
233.15334	10.4
237.14819	7.8
243.17506	5.6
249.14864	4.2
253.15979	4.8
255.20935	3.8
261.18445	16.9
263.16464	10.6
271.16937	34.6
274.97556	8.3
275.52368	3.7
283.17090	3.8
289.18002	93.9
292.98642	5.9
303.19547	44.5
317.19589	7.7
321.20920	23.2
335.20679	6.5
339.19031	36.5
339.21942	27.6
339.27280	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	339.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	17.2
55.01870	9.0
55.05506	24.1
57.03430	16.3
57.07058	3.5
60.04556	4.0
65.03928	5.3
67.05505	71.8
69.03415	5.6
69.07065	18.6
71.04662	4.5
71.04991	29.2
71.27139	7.9
71.87611	4.3
79.05493	52.7
81.03429	32.1
81.07061	84.9
83.04984	59.5
83.08614	11.8
85.06564	4.4
91.05484	47.5
93.07051	79.3
95.04987	30.4
95.08614	44.3
97.06500	10.6
97.10204	6.9
98.97591	10.0
99.04462	8.1
105.04523	3.8
105.07037	49.9
107.04953	41.1
107.08583	33.1
109.06528	19.0
109.10168	13.2
111.04446	6.7
111.08102	7.2
114.22591	3.7
115.05472	5.0
116.98590	7.0
117.07031	17.0
119.04964	5.2
119.08573	41.0
121.06489	16.9
121.10168	18.2
123.04409	6.8
123.08085	12.6
125.06017	10.9
129.07034	12.2
131.04951	10.3
131.08560	28.7
133.06509	8.9
133.10121	30.6
134.99629	3.8
135.08080	6.9
135.11746	18.8
137.05975	49.4
137.09578	7.2
143.08546	7.9
145.06503	8.4
145.10149	24.5
147.08034	5.8
147.11696	16.2
147.57765	4.3
149.09601	4.5
149.13261	8.7
151.07600	7.1
151.11168	7.5
157.10149	16.7
159.08012	7.1
159.11707	24.8
161.09627	9.2
161.13268	12.1
163.07562	11.6
163.11163	13.6
169.10172	4.6
171.11725	17.4
173.13263	11.7
175.07552	4.5
175.11195	9.2
177.05508	6.4
177.09013	5.6
177.12726	22.7
183.11652	4.3
187.11255	9.0
187.14839	12.9
189.09125	5.9
189.12733	9.5
191.14333	4.1
207.13757	8.5
211.14688	4.8
215.14305	5.2
217.12186	7.4
219.13782	4.1
233.15392	16.7
235.13335	4.5
237.14882	7.3
243.17380	5.0
253.15912	6.5
261.18512	12.3
263.16336	4.1
268.59503	4.1
271.16891	22.5
274.97516	11.4
289.17957	100.0
289.20868	7.4
290.18182	4.3
292.98633	9.1
303.19534	18.3
321.20599	34.5
339.15884	4.5
339.22281	8.3
339.26965	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01860	6.9
55.05512	13.0
57.03432	10.0
57.07061	1.7
65.03943	1.4
66.38642	1.7
67.05503	42.6
69.03415	5.7
69.07069	15.5
69.94968	3.4
69.95382	6.7
71.04973	5.3
73.06546	2.3
73.46669	1.5
79.05492	21.8
81.03409	6.1
81.07052	34.1
83.04981	11.1
83.08605	6.2
85.06548	9.8
91.05479	30.0
93.07047	28.9
95.04962	16.3
95.08615	15.5
97.06533	100.0
97.10134	2.2
98.97582	3.1
99.04417	2.1
99.08084	2.3
102.16985	1.6
103.05446	3.2
105.07032	25.2
107.04966	12.5
107.08599	25.6
109.06499	10.8
109.10152	30.0
111.04449	3.7
111.08071	12.0
113.06004	9.7
115.07511	2.6
117.07011	4.7
119.08582	10.5
121.06492	4.2
121.10138	5.5
122.03651	2.3
123.04399	3.4
123.08038	4.1
123.11723	7.7
127.07567	2.2
127.99789	1.8
129.06995	5.5
131.04926	8.5
131.08601	9.2
133.06474	5.4
133.10136	41.4
134.99687	2.0
135.08015	5.1
135.11693	5.2
137.05975	51.8
138.06317	2.2
141.06918	1.8
145.02859	1.8
147.04230	1.7
147.07961	3.1
147.11684	5.5
149.09596	9.1
151.07509	2.2
151.11171	28.0
155.08524	3.0
157.06480	3.9
157.10077	2.5
159.08061	3.9
159.11688	3.7
161.09602	4.3
163.07542	5.5
165.09106	2.9
169.10124	2.0
169.12239	1.5
171.11723	1.9
173.09659	2.4
175.11125	2.2
177.05484	2.7
177.09097	11.0
177.12714	1.6
179.10670	3.3
183.08154	2.6
183.13873	7.6
189.09181	4.9
193.12260	4.4
203.10641	1.9
211.13170	2.7
215.10669	4.8
215.14288	2.6
221.11719	6.4
229.14243	3.4
233.15395	2.5
237.14864	2.8
247.17007	1.9
261.18512	7.0
271.16983	6.1
289.18015	31.4
292.98541	3.1
297.99060	1.6
303.19431	3.6
307.19055	15.7
321.20609	21.9
338.67813	1.8
338.72147	1.8
339.15900	5.9
339.21695	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.05519	34.2
57.03427	18.1
63.94868	4.9
67.05513	40.7
69.03413	7.9
69.07076	21.4
69.43123	50.2
71.04989	19.7
77.42306	4.5
79.05482	28.2
79.26675	4.7
81.03426	33.5
81.07051	42.8
83.04988	21.9
83.08626	18.0
85.06570	5.2
91.05484	31.1
93.07079	32.3
95.01336	12.1
95.04977	18.8
95.08620	20.5
97.06535	23.9
97.10172	21.3
98.21460	9.1
103.05483	9.0
105.07047	23.2
107.04953	40.5
107.08600	30.5
109.06518	17.9
109.10178	15.0
111.04448	15.0
111.08119	10.5
113.06033	9.1
117.07036	11.1
119.08592	22.9
121.06514	22.2
121.10155	15.4
123.04476	11.1
123.08109	17.0
125.06019	6.8
125.09635	19.7
129.06990	10.0
131.04955	10.0
131.08617	10.6
133.06462	5.3
133.10156	11.1
133.37222	4.9
135.08075	23.7
135.11725	9.2
137.05989	75.5
137.06947	9.6
141.06995	6.2
145.06488	8.0
145.10196	8.4
147.11690	32.8
149.13242	9.5
153.09023	6.5
157.82878	6.2
159.08130	27.4
159.11664	9.5
163.07590	28.6
163.11169	5.8
175.11197	9.0
177.05496	7.1
177.12793	13.3
187.11200	13.8
189.09174	9.3
193.12297	21.5
195.13885	6.6
201.12744	6.5
203.12828	11.4
205.12268	7.5
219.13876	15.2
221.11804	14.6
233.15439	14.0
237.14861	13.4
251.16464	14.7
253.10062	5.8
271.16989	33.8
274.97525	9.6
278.10919	8.3
283.16962	9.7
283.25812	5.5
289.17990	100.0
292.98550	11.2
293.13443	8.0
307.19086	21.3
311.14258	11.8
321.03036	7.1
321.12820	12.4
321.20694	39.7
321.24051	9.7
336.19946	5.4
339.04211	17.7
339.13870	19.0
339.21896	20.3
339.27255	11.7
340.14099	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.01874	7.3
55.05515	23.0
57.03437	19.1
59.04991	2.8
67.05504	42.6
69.03437	7.0
69.07064	11.8
71.04974	4.0
71.58388	3.9
79.05494	34.2
81.03422	36.1
81.07056	100.0
83.04986	36.8
83.08619	7.9
85.06558	6.9
91.05479	26.0
93.07042	45.5
95.04964	13.8
95.08614	37.9
97.06538	9.4
97.10172	4.1
99.04465	2.3
99.08109	3.3
103.05482	3.7
105.07018	17.7
107.04962	43.6
107.08592	20.4
109.02836	2.2
109.06525	41.7
109.10174	7.8
111.04435	30.3
111.08083	9.6
113.05992	4.2
116.25209	2.1
117.07031	16.2
119.04928	5.9
119.08587	14.0
121.06496	12.1
121.10149	8.4
123.04435	9.3
123.08051	12.4
125.06024	2.8
125.09616	4.3
128.06194	2.3
129.05563	2.6
129.06996	7.9
131.04909	6.0
131.08594	14.9
133.06491	4.0
133.10149	14.4
135.08073	11.3
135.11682	24.1
137.05980	44.9
137.09572	2.2
141.06996	4.3
143.08565	3.6
145.02847	2.4
145.06541	14.9
145.10138	7.9
147.08076	6.4
147.11681	5.5
149.06029	3.3
149.09610	5.5
149.13264	13.7
151.07556	7.2
154.07866	2.3
155.08546	4.2
159.08073	9.7
159.11699	27.2
161.09612	5.4
163.07567	8.8
163.11180	5.6
169.10182	7.9
171.11716	4.1
173.09593	3.3
173.13365	2.9
175.11110	2.6
177.09192	2.8
177.12749	41.1
179.10809	2.9
179.14336	2.8
187.11197	23.6
189.09128	9.8
203.12756	2.6
205.12201	13.3
205.15857	4.3
209.15364	19.8
215.14374	5.3
219.13840	4.1
223.13400	3.5
233.15454	9.0
237.14771	4.9
241.14378	14.8
243.17451	5.0
253.15784	3.2
255.15964	16.8
261.18539	11.4
271.16983	13.1
289.17990	80.4
303.19632	9.6
307.18991	11.0
321.20688	35.3
321.24252	5.6
339.02460	4.2
339.15509	4.2
339.22351	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	339.1804
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
52.25881	0.5
53.03946	1.1
55.01867	2.6
55.05510	3.2
57.03428	2.5
67.05506	6.4
68.43230	0.7
69.03431	3.1
69.07057	2.6
69.85715	3.4
70.03672	0.5
71.04964	0.6
71.94214	0.5
79.05494	4.1
80.99089	0.5
81.03405	2.5
81.07060	6.8
83.04951	1.3
83.08602	1.6
85.02892	2.0
85.04842	0.6
85.06547	0.9
89.03906	2.0
91.05476	4.2
93.07049	5.0
94.04163	1.6
95.04961	4.0
95.08610	4.1
97.02902	3.1
97.06519	1.8
97.10150	1.3
97.12878	0.5
98.97575	0.7
99.04459	0.9
103.05464	4.3
105.07036	2.9
107.04963	28.3
107.08584	1.9
108.05290	1.1
109.02887	1.8
109.06514	4.9
109.10154	3.2
111.08044	1.7
113.06031	4.2
115.05484	0.6
116.98666	0.7
117.03382	6.1
117.07016	1.9
119.04929	1.7
119.08572	2.0
121.02966	0.5
121.06528	3.7
121.10135	1.5
122.03653	3.5
123.04449	0.7
123.08017	0.9
123.11715	0.6
125.09598	0.9
127.03897	1.6
127.07575	0.8
129.07039	2.9
131.04929	10.4
131.08569	2.2
133.06537	1.4
133.10135	1.1
135.04388	1.3
135.08061	2.3
135.11717	0.7
137.05983	67.3
137.09581	7.3
138.06316	1.2
144.08115	1.2
145.02855	17.5
145.06491	1.8
145.10107	1.0
147.04329	0.7
147.08063	1.3
149.06000	4.5
151.07526	0.7
153.05479	2.5
153.06885	1.0
154.06281	1.2
155.07033	8.5
155.08543	5.5
157.06467	3.1
157.10117	0.8
159.08115	1.4
159.11681	0.6
161.09552	0.8
163.03882	0.6
163.07559	11.7
165.05505	3.1
165.09105	1.9
167.07019	2.0
169.10112	0.8
171.08076	0.8
173.06049	0.6
173.09645	1.1
175.07503	2.2
177.05476	38.1
177.08769	1.1
178.05803	1.8
179.07039	0.6
181.08580	2.2
183.08107	4.6
184.08867	0.6
185.09631	1.2
186.05493	1.2
187.07555	4.1
187.11209	0.7
187.14716	0.6
189.09125	8.7
191.07043	19.3
191.08780	1.0
192.07826	4.5
193.08578	2.1
195.06551	3.5
200.08418	0.9
201.09122	1.2
203.06998	1.5
205.08508	3.2
207.10088	0.6
209.08098	3.9
210.08875	4.0
211.14867	0.7
215.10693	9.4
219.10127	3.0
221.08044	1.0
223.09712	1.3
229.15849	1.0
233.11717	1.6
235.32143	0.6
246.23888	0.6
247.07521	0.7
247.17032	0.9
257.15320	1.1
265.08572	1.0
274.97443	1.1
275.16458	7.0
285.14835	2.1
292.98691	0.7
293.17514	7.2
303.15918	53.1
304.16409	3.3
307.13202	0.7
321.16980	100.0
322.17300	5.4
339.18301	79.7
340.18826	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	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.08842	0.3
53.33714	0.3
60.51753	0.4
65.03923	0.7
67.05496	0.5
67.23952	0.4
69.03419	0.6
70.98557	0.9
70.98891	0.5
71.04901	0.4
81.03405	0.5
81.07044	0.4
85.02922	0.6
91.05486	8.5
93.07033	0.4
95.04945	0.5
95.08562	0.4
98.97605	0.5
99.04462	0.4
100.72183	0.4
104.66193	0.4
110.06059	0.4
117.03348	0.7
119.04951	23.1
120.05260	0.5
122.06071	0.8
124.07610	0.7
127.03926	0.8
132.08041	0.4
133.06425	0.4
134.06007	0.9
134.63916	0.4
136.07591	4.6
145.02878	2.3
147.04414	100.0
148.04759	1.5
148.75932	0.4
150.05574	0.5
152.07059	5.7
163.03902	0.4
164.07069	5.7
165.05597	0.5
170.08183	0.5
177.05484	5.1
182.08145	1.1
229.78207	0.4
303.13409	3.8
321.14398	1.8
336.22784	0.4
339.16046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03951	0.3
55.01853	0.5
55.11111	0.3
56.96566	0.4
57.03415	0.3
61.02895	0.3
65.03932	0.9
69.03415	0.4
69.07069	0.5
70.06588	0.6
70.37394	0.6
70.37776	0.6
79.05486	0.5
81.03408	1.0
81.07037	0.5
81.13714	0.3
82.55975	0.3
83.04967	0.5
84.08167	0.4
85.02903	0.9
86.09735	0.5
89.03914	0.4
91.05483	9.3
93.03424	0.3
93.07037	0.3
95.04951	0.6
98.97565	0.5
107.08595	0.3
109.02886	0.9
111.04470	0.4
116.98646	0.4
117.03387	1.2
119.04944	24.9
127.03928	0.7
137.06007	0.4
145.02838	3.8
147.04413	100.0
148.04761	1.1
149.05983	0.4
149.12984	0.3
153.01706	0.3
155.05205	0.3
159.08072	0.6
163.03929	0.8
165.05455	0.4
177.05469	6.9
232.52605	0.4
237.02844	0.3
321.09653	0.8
321.14246	0.3
339.04684	0.5
339.15558	0.8
339.19531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.33445	0.4
53.03934	0.8
55.01862	0.6
55.05496	1.7
56.96557	1.0
57.03433	0.5
57.07066	0.5
67.05491	1.3
69.03434	4.3
69.07053	1.7
71.01325	0.5
71.04984	0.9
71.17997	0.4
71.56611	0.6
73.02895	0.4
79.05494	1.2
81.03418	6.3
81.07055	2.7
83.04981	0.9
83.08612	0.7
85.02911	3.0
85.06532	1.1
86.09723	0.5
89.03903	4.1
91.05474	1.9
93.07053	2.1
95.04951	1.1
95.08604	2.2
96.65971	0.5
97.02906	2.1
97.06511	0.5
97.10188	0.8
98.97602	0.6
99.04432	1.0
103.05453	1.1
105.07033	1.3
107.04963	4.1
107.08600	1.7
108.09004	0.4
109.02899	3.8
109.06506	0.7
109.10159	1.4
111.08050	1.0
115.05429	0.5
116.98640	0.8
117.03380	15.6
119.08579	1.2
121.02876	0.5
121.10134	1.0
122.03574	0.6
123.08046	0.5
123.11736	0.7
125.02350	0.5
127.03928	2.3
129.07014	0.7
131.04907	1.3
131.08540	0.8
133.10153	0.8
134.03659	1.1
135.04411	1.9
135.11697	0.4
137.05983	11.4
137.09647	0.5
145.02850	48.8
145.10136	0.5
146.03204	0.8
147.04425	1.2
147.11699	0.5
149.05988	6.0
149.09599	0.5
149.13223	0.5
151.11212	0.6
155.08549	0.6
163.03937	1.7
163.07614	0.9
175.07567	0.6
177.05478	100.0
178.05769	0.9
186.05540	1.7
189.09140	1.9
195.06544	1.8
199.10773	0.4
215.10747	1.8
278.03479	0.5
293.19534	0.6
321.06345	0.7
321.09686	5.2
321.24179	0.6
339.07529	1.6
339.10953	3.0
339.15863	4.2
339.19620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.159
Annotation	4'-O-Methylglabridin
Peak:m/z	Relative Intensity
55.01855	0.6
55.05521	0.8
57.78904	0.4
67.05494	2.0
69.03417	1.3
69.07046	1.1
71.04986	0.5
79.05494	1.9
81.03416	1.5
81.07065	3.1
84.84062	0.5
85.02892	0.7
89.03941	0.6
91.05463	2.3
93.07053	1.3
94.04179	2.6
95.04959	1.4
95.08620	2.3
97.06548	0.6
97.10162	0.9
98.21502	1.6
103.05468	4.8
105.07048	1.9
107.04959	20.6
107.08582	1.4
109.02890	1.0
109.06496	0.5
109.10166	1.1
115.05453	1.0
117.03377	1.7
117.07037	0.6
119.08582	1.0
121.10183	0.9
122.03643	5.5
122.05981	0.6
125.09606	1.0
128.06218	2.1
129.05440	0.5
129.07001	5.2
131.04933	11.1
131.08568	0.9
133.06491	1.5
133.10091	0.6
134.03653	0.4
135.11693	0.6
137.05980	100.0
138.06279	1.6
141.06905	0.4
145.02855	6.3
145.10162	0.6
149.05936	1.0
151.07544	0.9
153.06941	0.6
155.08569	4.3
157.06497	5.3
157.10107	0.6
159.08083	0.5
163.07559	7.2
163.14813	0.5
165.06990	0.9
167.07010	0.8
171.08110	0.5
174.06888	0.8
175.07626	2.4
177.05481	12.3
177.09105	1.3
183.08076	4.1
185.09718	0.6
187.07550	3.9
189.09129	11.3
195.06506	0.5
196.28505	0.5
200.08351	1.8
201.09073	1.0
203.10799	1.0
215.10680	9.7
215.12698	0.6
216.11145	0.6
219.10211	1.4
229.76321	0.8
233.11720	1.0
247.20567	0.5
265.08636	0.8
279.13739	0.6
307.13416	1.0
321.09769	1.6
339.15948	25.3
340.16302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.40154	1.0
53.03939	2.0
55.01861	1.0
56.96576	0.9
57.03450	1.1
67.05527	1.3
69.03437	5.0
69.07076	1.1
70.06600	1.2
70.28545	1.0
70.28873	4.4
70.57417	1.0
71.04972	1.1
81.03407	8.6
83.04982	1.1
84.04518	1.1
85.02895	4.1
86.09741	1.1
89.03923	4.5
91.05475	10.3
93.07045	1.0
95.04964	1.9
97.02892	2.2
109.02885	6.5
117.03373	13.5
119.04943	21.2
121.06591	1.3
127.03916	2.3
130.09503	0.9
135.04427	1.5
137.05989	2.6
145.02844	37.5
147.04404	100.0
147.11649	1.0
148.04747	1.2
149.06001	6.1
149.09558	1.3
177.05463	81.9
178.05878	1.2
194.95364	1.0
195.06570	2.0
204.45050	0.9
258.09073	1.5
321.09601	10.7
339.10703	3.8
339.19131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.6
55.05468	0.3
56.96493	0.3
67.05414	0.6
69.03358	0.4
69.06985	0.6
69.07321	0.3
69.77209	1.8
79.05424	0.5
81.06985	0.7
83.46464	0.2
90.39144	0.2
91.05366	0.8
93.06960	0.5
95.04893	0.5
95.05472	0.3
95.06120	0.3
95.08513	0.4
97.10087	0.3
98.21422	0.4
103.05391	0.5
105.06938	0.8
107.04958	2.8
107.08500	0.5
109.02837	0.4
109.10098	0.3
116.98520	0.5
117.03284	0.3
117.06915	0.4
119.08488	0.5
122.03551	0.6
125.09536	0.5
125.36872	0.3
129.06912	0.7
131.04805	1.2
131.08528	0.3
133.10030	0.4
134.99583	0.4
137.05974	12.4
145.02705	1.0
155.08458	0.8
157.06375	0.6
159.08011	0.4
163.07475	1.0
175.07454	0.3
177.05446	1.8
183.07999	0.4
187.07509	0.5
187.14510	0.3
189.09073	1.6
191.08501	0.7
200.06242	0.3
202.07806	1.7
203.08357	0.3
203.10471	0.3
203.12343	0.3
205.06444	2.2
206.06853	0.3
215.10580	0.9
218.07077	0.4
219.08107	1.7
229.06496	6.7
230.07256	1.5
234.06673	0.3
237.04633	0.9
242.01210	1.1
243.02026	0.8
247.03113	0.6
247.07536	2.2
248.08156	0.4
255.02031	1.1
256.02795	0.3
257.03394	0.3
257.06015	6.3
258.06754	10.2
259.07065	0.6
264.03403	0.4
265.01416	0.4
265.04172	6.7
266.04504	0.6
268.02838	2.1
269.03552	1.0
274.97379	0.6
275.02509	1.3
275.06946	0.8
276.03171	0.6
276.07556	0.3
283.02826	0.7
283.05203	1.8
285.05368	0.6
286.03238	0.5
286.06232	5.7
287.06732	0.7
289.17902	0.6
292.02823	3.1
293.03632	52.8
294.04037	4.0
303.06631	0.8
311.02597	2.5
312.03128	0.5
321.03122	21.1
322.03522	1.9
339.04227	100.0
339.15369	2.7
340.04636	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	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
57.03432	5.3
60.05181	3.0
62.32940	2.8
67.05509	9.0
69.03422	9.9
69.07062	23.6
69.41512	12.0
69.41939	14.9
70.06577	7.3
79.05470	4.7
81.03434	6.4
81.07063	24.6
83.04990	5.3
84.08155	4.9
85.02908	33.3
86.09711	6.5
91.05469	6.0
93.07046	5.0
94.06576	3.6
95.05014	3.6
95.08615	100.0
97.02876	5.0
97.06527	9.7
98.20719	5.1
98.97568	7.4
99.04454	7.8
99.08112	5.7
99.12878	2.8
105.01894	3.1
105.06997	4.3
109.02887	7.1
113.09649	10.6
115.07573	25.2
116.98644	7.5
117.03381	11.5
119.04967	8.0
122.06009	3.5
123.08088	43.9
127.03907	10.9
129.06987	3.2
135.04399	5.3
136.07584	4.1
137.05975	11.1
139.80008	2.7
141.09114	90.7
145.02849	35.9
145.04930	6.8
147.04402	28.0
149.06009	5.5
150.05562	4.0
151.03932	5.2
157.81189	2.7
159.10179	78.7
163.03941	3.9
166.03517	2.7
177.00723	4.2
177.05489	83.5
182.68883	2.9
237.03452	3.0
264.22855	3.9
301.16388	3.2
320.15106	3.6
321.09976	3.6
338.08646	2.8
338.20349	3.5
347.60080	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	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83418	0.9
67.21659	0.7
69.99726	0.8
70.28867	4.0
107.80717	0.7
133.05141	0.8
133.63818	0.9
164.45955	0.9
334.71234	0.9
337.08954	100.0
338.09348	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03945	0.8
55.01869	0.6
55.05513	15.0
56.05846	0.2
57.03439	11.8
57.07078	3.1
58.03774	0.2
59.04997	0.2
65.03956	1.0
67.05505	36.2
68.05830	0.8
69.03426	0.2
69.07069	24.5
69.89613	1.2
71.04990	1.0
71.08630	1.2
77.03884	0.2
79.05493	8.5
79.05960	0.4
80.05841	0.2
81.07056	37.5
82.07391	0.3
83.04988	1.1
83.08617	11.8
85.06542	1.3
85.10177	0.4
91.05479	5.7
93.07042	9.9
94.07388	0.3
95.04962	0.9
95.08605	28.8
96.08888	0.5
96.18878	0.2
97.06527	2.3
97.10167	6.4
97.87196	0.2
98.20840	0.4
99.08088	0.9
105.07027	4.5
105.07689	0.4
107.08593	5.4
109.06514	0.7
109.10155	10.3
110.10520	0.3
111.08089	1.5
111.11731	1.6
111.86230	0.2
113.09686	0.4
119.08580	4.1
121.10140	4.9
123.08063	0.9
123.11707	5.3
125.09631	1.2
125.13210	0.3
127.11173	0.2
131.08572	0.4
133.10138	4.0
135.11690	3.2
137.09621	0.8
137.13274	1.9
139.11182	0.7
145.10110	0.2
147.11690	3.2
149.13280	2.1
151.11198	0.5
151.14827	1.1
153.12744	0.6
153.13971	0.2
161.13269	2.5
163.14772	1.8
165.12712	0.5
165.16383	0.3
167.14343	0.3
175.14839	1.6
177.16380	0.6
179.14258	0.4
179.17998	0.3
181.15878	0.5
189.16362	0.8
193.15829	0.3
203.17937	0.3
245.22652	1.1
263.23730	3.1
291.19333	0.3
337.02554	0.8
337.27353	100.0
338.27737	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61456	1.1
52.94839	0.9
55.01875	1.3
55.05523	2.4
67.05498	3.1
69.03409	3.0
69.07072	2.7
70.06580	1.0
70.71684	3.3
71.05003	1.7
79.05475	2.8
80.17146	1.0
81.07060	5.9
83.04994	2.0
84.08105	1.5
85.02913	3.7
85.70759	1.0
91.05471	3.1
93.07030	4.4
93.29224	1.0
95.04968	1.5
95.08617	6.0
97.02886	2.4
97.06540	2.4
97.10172	1.4
98.97580	1.7
99.08107	1.3
105.07020	5.9
107.04942	2.2
107.08607	4.0
109.02901	2.7
109.06528	1.4
109.10166	3.0
117.07012	1.4
119.05002	1.2
119.08572	3.9
121.06511	1.9
121.10119	3.9
122.04487	1.0
123.11695	2.5
125.09645	1.6
127.03936	1.9
131.08522	1.8
133.06534	1.3
133.10127	3.7
135.08041	2.3
135.11732	1.6
137.06017	1.5
137.09586	1.5
145.10110	2.5
147.04422	2.0
147.08205	1.4
147.11702	3.3
151.11133	1.7
157.10133	1.7
159.11717	1.1
161.09680	2.3
163.03801	1.2
163.07661	1.2
163.11159	1.4
173.13243	1.2
175.14975	1.4
177.76317	1.0
180.77055	1.0
181.06470	2.3
189.07002	3.1
190.07729	1.2
191.08566	2.6
191.14349	1.3
202.07768	2.2
203.08514	2.5
205.06497	1.4
214.05154	1.0
215.14276	1.2
217.06551	2.1
218.07219	2.5
219.08031	4.9
221.06029	1.7
221.09660	1.8
235.05479	1.2
237.02885	1.3
237.09174	2.4
245.05980	47.1
246.06306	2.6
247.07565	24.9
265.08774	3.2
273.05457	100.0
274.05798	6.1
275.07037	1.7
282.50540	1.1
291.06534	32.7
292.06894	2.7
301.21808	1.3
309.11356	1.2
319.06009	13.1
319.22818	2.5
320.06473	1.3
337.07068	2.5
337.10855	1.8
337.14435	2.5
337.23895	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	336.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
56.78746	2.0
56.94733	2.0
56.96539	2.2
57.03429	2.2
61.02933	3.1
69.03431	10.9
69.07052	6.8
70.06606	11.8
70.78149	2.9
70.78482	4.8
71.04976	2.0
72.08140	3.0
73.02895	1.9
77.64141	2.0
81.03402	4.1
81.07076	2.6
83.04972	2.4
84.08139	4.2
85.02913	20.3
86.09695	10.0
87.00816	2.3
88.07636	100.0
92.67504	2.1
97.02917	7.4
98.97569	2.4
99.04446	3.7
103.05444	2.3
105.01894	5.2
109.02854	4.6
110.39222	2.4
111.04430	2.6
111.08121	2.0
119.04950	2.8
121.10144	2.2
122.06076	2.1
122.13567	2.0
123.87045	2.1
127.03946	11.4
131.99379	5.7
132.10208	6.9
135.04445	2.4
137.05963	3.5
147.04459	4.1
156.10272	2.7
157.08598	6.9
160.54530	2.4
163.03914	4.1
174.11276	6.9
179.02420	2.3
245.07648	2.6
290.10522	2.9
291.08286	3.8
325.14484	2.2
336.10861	4.7
337.07098	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	2.9
55.01885	0.8
55.05259	1.1
55.05511	14.6
57.03437	16.4
57.07062	2.1
65.03944	2.6
67.05505	65.7
69.07067	15.5
70.76500	1.7
71.04991	1.8
71.08631	0.9
79.05493	30.6
81.07057	60.2
81.70106	0.7
83.04971	1.6
83.08621	6.0
85.06528	2.0
91.05480	15.3
91.06012	1.3
93.07043	36.3
95.04988	4.2
95.08606	49.9
97.06536	2.0
97.10174	2.0
99.08061	1.1
105.04541	0.8
105.07030	9.4
107.08596	19.5
109.06501	1.9
109.10156	20.9
109.52870	0.6
111.08074	0.9
116.06142	0.7
117.07021	3.1
119.08582	9.7
121.10144	15.3
123.08051	1.2
123.11715	6.2
131.08592	6.7
133.10133	6.7
135.11693	9.6
137.13261	1.9
139.04651	0.7
145.10130	5.8
147.11662	4.6
149.13280	6.0
159.11739	3.1
161.13254	3.9
163.11205	0.9
163.14828	2.6
165.12727	1.0
173.13251	3.2
175.14886	1.1
177.12773	0.7
177.16425	0.9
179.97273	0.6
187.14807	1.1
189.16388	0.9
191.14275	1.0
201.16447	1.4
243.21069	2.2
246.15291	0.7
261.22171	6.4
279.22925	0.8
317.24783	2.0
335.25821	100.0
336.26172	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05509	11.8
57.03426	11.5
67.05171	4.2
67.05505	55.8
69.07066	13.2
70.11089	2.3
70.18037	9.7
78.97655	2.4
79.05499	21.1
81.07059	54.0
83.08600	9.1
91.05482	15.6
93.07042	29.2
95.04947	2.7
95.08600	40.2
97.06551	3.1
97.10131	2.6
105.07027	9.8
107.08599	12.5
109.10136	21.1
117.06995	2.8
119.08585	5.5
121.10138	10.1
123.11688	8.7
128.87093	2.4
131.08504	3.7
132.47647	2.8
133.10114	7.1
135.11693	6.5
145.10097	3.5
147.11681	3.1
149.13252	3.7
159.11717	3.3
161.13286	2.6
164.69827	2.3
173.13292	3.9
261.22156	5.1
320.24097	2.8
335.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	2.0
55.05265	1.2
55.05512	16.8
57.03193	1.4
57.03438	18.1
57.07061	1.7
58.32100	0.9
65.03922	2.1
67.05505	61.0
69.07069	13.7
69.39982	8.4
71.04984	1.9
79.04773	1.0
79.05494	30.2
81.07055	58.7
83.04965	2.2
83.08615	6.3
85.06525	1.1
91.05484	14.1
93.06474	1.8
93.07043	33.1
95.04963	3.5
95.08605	43.7
97.06517	2.7
97.10155	2.8
99.08069	1.5
100.15137	0.9
105.07034	11.2
107.08585	18.8
109.06538	1.4
109.10157	19.3
111.08083	1.1
111.11684	1.0
111.24224	1.1
117.07003	3.6
119.08595	7.3
121.10139	15.6
123.08013	1.3
123.11714	7.1
131.08543	7.3
133.10118	7.7
135.11671	8.8
137.09615	1.4
137.13237	2.0
145.10147	5.3
147.11742	4.6
149.13271	5.2
159.11684	3.0
161.13263	3.4
163.14861	2.8
167.19733	0.9
170.30721	1.1
173.13272	3.3
175.14828	1.5
179.14343	1.1
187.14861	1.0
187.42532	1.2
243.21098	2.9
261.22189	5.5
279.22986	1.4
279.72089	0.9
310.79407	1.0
317.24719	1.5
335.25803	100.0
336.26053	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.39736	0.7
52.49463	0.7
53.03931	2.3
55.01862	1.0
55.05264	1.2
55.05512	19.1
57.03440	19.0
57.07065	1.8
65.03933	1.8
67.05505	66.9
69.06724	1.1
69.07070	16.5
71.04988	1.3
79.05492	34.9
81.07056	54.2
81.84351	0.9
83.04971	2.2
83.08624	5.9
85.06516	1.8
85.91632	0.7
91.05476	14.2
93.07042	38.6
95.04974	4.5
95.08607	45.8
97.06509	2.3
97.10174	2.2
105.07041	10.7
107.08595	18.7
109.06515	1.5
109.10155	16.3
117.07034	2.9
119.08575	8.7
121.09318	1.1
121.10146	13.4
123.08072	1.0
123.11710	6.4
131.08598	4.6
133.10114	4.7
135.11685	8.4
137.09698	0.8
137.13281	1.6
145.10078	2.6
147.11705	3.8
149.13234	3.9
159.11732	2.2
161.13249	2.3
173.13229	3.0
177.16350	1.1
187.14894	1.2
229.59917	1.1
243.21104	1.5
261.22174	1.8
335.25797	100.0
336.26010	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01880	0.8
55.05519	2.4
56.96549	0.6
57.03429	1.7
57.07073	0.5
57.65529	0.5
67.05508	7.2
67.10661	0.5
69.07056	1.8
79.05503	5.4
81.07061	6.0
83.08621	1.0
91.05477	2.3
93.07036	4.1
93.77419	0.5
95.08608	4.3
97.06538	0.7
98.20756	1.0
98.98456	0.6
105.07024	1.8
107.04934	0.6
107.08587	2.7
109.10159	2.5
119.08592	1.2
121.10150	2.2
123.11697	0.7
131.08566	1.0
133.10185	0.9
135.11781	0.8
143.08604	0.6
145.10123	1.0
147.11705	1.0
161.13223	1.0
163.14700	0.6
175.02890	0.7
195.09898	1.4
249.43571	0.5
289.08658	1.3
294.24200	1.0
313.13510	0.7
313.17841	0.5
335.21954	100.0
335.25708	9.2
336.22202	4.1
336.25607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2218
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
53.03936	1.3
55.01873	1.7
55.05513	8.6
57.03424	2.9
57.07077	5.3
59.04996	1.7
65.03936	1.3
67.05505	24.2
69.03433	10.1
69.07071	41.3
70.07418	1.2
70.30475	4.4
71.04998	2.8
71.85743	0.9
79.05116	1.3
79.05499	13.9
81.03413	2.3
81.07061	30.6
83.04990	5.8
83.08627	1.8
84.04504	4.6
85.02899	2.7
85.06546	4.4
91.05486	14.2
93.06465	2.1
93.07049	41.2
95.04974	24.6
95.08042	1.6
95.08608	18.1
97.02908	1.3
97.06537	27.5
97.10177	2.5
98.06841	1.3
99.04466	1.1
99.08083	1.6
100.11263	2.7
103.05422	1.1
105.06382	1.8
105.07039	21.1
107.04946	2.3
107.08602	36.1
109.02866	3.5
109.06522	8.0
109.10159	38.3
110.10542	1.2
111.04480	1.0
111.08075	2.8
111.11754	2.1
113.09632	1.1
117.06997	2.8
119.04949	2.5
119.08584	13.3
120.08124	1.2
121.06480	5.3
121.10148	100.0
122.06032	4.8
122.10468	3.0
123.08046	5.0
123.11710	7.6
125.09629	6.3
129.07016	1.7
130.04976	2.7
131.08588	8.1
133.06528	1.3
133.10139	12.1
134.99670	1.2
135.08060	3.3
135.11711	4.8
136.07579	13.4
137.05983	1.5
137.09616	11.7
139.11186	15.0
142.07817	1.9
143.08545	1.9
145.10132	14.0
147.04424	7.6
147.08061	3.0
147.11710	6.3
149.05991	1.2
149.08516	1.7
149.09634	15.2
149.13271	1.3
151.11180	13.9
155.08562	1.5
155.10611	1.8
157.10095	2.5
159.08043	1.7
159.10265	1.8
159.11696	4.6
161.09634	7.3
161.13257	2.4
163.11176	6.6
164.07077	22.8
165.09113	8.5
167.10678	9.9
169.10132	1.6
171.08017	1.5
171.11697	3.2
173.09645	9.0
173.13272	4.6
175.07469	1.0
175.11203	2.8
175.14845	1.8
177.09151	5.1
179.10678	2.0
182.08113	14.8
183.11769	1.2
185.13240	1.5
187.11183	1.3
187.14847	1.5
189.09016	2.2
189.12755	1.0
191.10683	9.6
191.14320	1.3
193.12317	2.1
196.09787	1.7
197.13275	1.6
199.14873	2.1
201.12761	2.5
203.14345	4.4
205.12367	1.1
211.11197	1.2
211.14844	2.0
213.12712	1.9
215.14331	2.0
219.13779	3.0
225.12756	2.4
239.14272	1.4
239.17976	1.6
241.16061	1.4
243.13815	3.0
247.16962	3.8
253.19484	1.3
261.14856	4.5
271.10559	1.3
271.20682	3.5
274.13962	1.4
281.19147	2.8
289.21725	2.4
291.06387	1.1
299.20071	9.9
303.17783	4.1
317.21143	16.0
335.20181	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
57.03429	0.9
67.05508	3.8
69.07044	1.5
71.58469	1.0
79.05488	2.9
81.04268	0.8
81.07049	3.3
81.72226	0.8
83.05003	0.9
83.25750	0.7
85.02872	0.7
88.07648	0.8
91.05483	1.4
93.07034	2.7
95.08595	1.9
97.06536	0.9
105.07007	2.3
107.08588	2.4
109.06536	0.9
109.10159	1.4
114.80238	0.7
119.08617	1.7
121.10194	1.4
121.39693	0.8
128.44580	0.8
131.08565	0.8
133.10121	2.1
135.11713	0.8
137.06007	3.6
145.10156	0.9
147.11633	0.7
173.13222	1.0
197.13190	0.8
202.07735	1.8
218.07259	2.4
233.09531	1.0
237.09129	1.1
243.25266	0.8
245.09631	1.7
246.06747	1.1
261.09113	11.7
275.20193	1.6
289.08566	8.9
317.21048	1.4
335.08920	3.7
335.21924	100.0
336.22324	5.8
353.21542	1.1
358.21597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.8
55.01876	6.1
56.96562	7.4
57.03437	15.0
57.07085	45.2
61.02912	4.4
65.68025	4.1
66.98563	5.0
67.05494	7.6
69.03432	69.2
69.03776	7.5
69.07068	100.0
69.74784	29.8
70.06591	15.7
71.01357	7.3
71.04989	13.0
72.08157	4.9
73.02928	15.3
74.58092	4.1
75.04488	4.3
75.31927	4.4
79.05482	5.2
81.03422	45.8
81.07061	4.5
82.36071	3.8
83.04989	5.5
84.04496	8.8
84.08159	6.7
85.02909	79.2
85.03419	5.0
85.06550	38.8
86.09736	6.1
87.00836	13.5
87.08116	31.9
91.05488	6.4
93.07042	6.9
95.04948	9.2
95.08615	7.2
97.02898	50.4
99.04466	33.2
103.03938	6.8
105.01899	6.1
109.02883	35.2
109.10134	8.3
113.02378	9.8
115.07578	32.8
116.98590	6.1
119.08617	6.7
121.10144	7.1
123.00857	6.1
127.03922	62.6
127.07567	8.9
127.66038	4.4
128.04300	4.9
128.07913	7.7
131.03380	6.5
141.01871	9.3
145.04955	9.8
147.04405	4.3
155.07115	5.5
156.07408	6.8
159.10139	23.2
169.01372	4.4
213.04045	5.0
213.11269	5.5
231.05040	22.7
271.10849	7.2
299.10794	6.5
317.11734	13.3
335.12704	19.8
335.16199	8.3
335.19379	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	335.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.96568	43.4
67.05491	4.0
69.07065	1.4
71.58362	0.9
71.58754	1.3
71.95271	1.7
74.97631	1.5
79.05496	2.7
81.07064	5.0
83.04995	6.4
88.07615	1.9
89.02889	0.9
90.42238	1.0
91.05479	3.4
93.07043	5.8
95.08605	3.8
98.97585	25.1
105.07040	2.6
107.08612	2.0
109.10157	1.3
115.00681	5.6
116.98627	33.9
116.99454	2.0
117.07050	0.9
119.08570	2.8
119.77730	1.0
121.10194	2.2
127.00642	0.8
131.08586	1.9
133.01733	6.1
133.10176	1.8
134.99666	34.2
135.08095	1.1
137.02762	1.1
140.00215	3.9
141.02251	2.6
145.01805	1.5
145.10037	1.5
147.03256	1.1
149.13225	1.1
151.02689	1.2
153.00722	6.5
155.03819	2.5
156.03362	1.2
158.01271	5.6
159.03319	10.5
161.04808	1.4
163.02797	1.1
165.02237	1.9
167.03922	1.0
167.45596	1.0
169.01686	1.4
171.03268	1.6
173.04869	7.3
176.02318	1.1
177.04393	2.6
182.04929	1.2
183.03278	4.7
184.00578	1.0
185.01254	1.1
185.04854	10.8
187.02821	2.0
191.05890	1.9
193.05351	1.5
195.03479	1.0
195.06923	1.8
197.01395	0.9
197.04947	2.2
199.02834	1.1
199.06517	1.2
201.04353	3.8
201.07983	1.1
202.07832	1.0
203.05913	3.7
207.06964	3.0
208.06540	1.1
211.06471	3.1
213.04370	2.1
213.08003	4.0
215.05975	2.1
218.07245	1.9
221.04942	1.4
223.06477	3.3
225.07968	16.2
225.10123	1.0
228.96863	0.9
229.07536	1.3
232.08612	1.0
237.08031	1.6
239.05875	2.6
241.07523	1.5
241.11050	1.4
243.09001	5.2
243.24910	0.9
248.09671	3.3
255.09117	1.3
257.06470	1.3
261.09143	9.6
262.09418	1.3
265.11026	5.5
265.13583	0.9
266.10806	1.0
275.13159	6.0
277.11176	3.4
283.12170	1.0
289.05383	1.5
289.08694	7.8
291.12680	1.2
293.14230	30.5
294.14493	1.2
295.12253	1.2
307.13177	1.0
311.15265	5.3
316.15970	2.0
317.14255	48.7
318.14502	2.4
319.05798	1.1
334.17053	2.0
335.09003	3.6
335.15350	100.0
335.24146	2.6
335.25900	2.0
335.29361	5.4
336.15683	5.3
353.16422	3.4
358.17020	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0914
Annotation	Halenaquinol
Peak:m/z	Relative Intensity
57.07062	0.7
57.34433	0.2
61.05069	0.2
69.27516	0.9
69.27939	1.2
70.06590	1.4
81.07034	0.3
86.09739	0.2
88.07629	0.5
90.14524	0.2
91.05535	0.2
93.07051	0.2
95.08598	0.3
98.20762	0.4
102.09180	0.4
109.10143	0.4
132.10152	0.5
146.11725	0.5
150.76180	0.2
189.07047	0.4
190.07819	0.4
195.07951	0.2
202.07753	0.7
203.08463	0.2
205.06500	1.1
215.08670	0.3
218.07231	1.5
219.08028	0.5
220.05522	0.2
220.08789	0.4
221.06015	2.2
228.23224	0.6
229.23558	0.8
230.07176	0.3
231.08080	0.3
232.05234	0.3
233.05978	3.1
233.09616	0.3
234.06673	0.3
237.05516	0.2
237.09053	0.5
238.02657	0.7
245.05971	0.3
245.09612	0.7
246.06769	1.5
247.07463	0.6
248.08347	1.6
249.05479	1.8
250.05940	0.3
251.06985	0.7
251.10532	0.2
252.07831	0.3
256.03635	0.6
257.06030	0.3
259.07617	0.2
260.04678	3.3
261.05475	8.6
261.09097	4.2
262.05963	0.5
262.09515	0.3
263.07129	0.5
265.04855	0.4
267.06384	0.4
272.25800	1.2
273.05304	0.4
273.26273	1.8
274.06207	1.7
275.06995	2.6
276.07822	3.2
277.02164	0.4
277.04984	5.6
277.08017	0.4
279.06558	2.6
280.07083	0.5
288.04214	4.4
289.05081	0.4
289.08591	6.2
291.06644	0.9
291.09729	0.3
292.07285	11.9
293.07690	0.4
302.05746	0.9
303.06516	8.9
304.03799	1.1
304.06772	0.4
305.04349	0.5
307.09396	0.5
308.06763	0.6
317.08029	0.7
319.06006	18.6
320.06763	8.6
321.07126	0.3
334.29483	3.3
335.09131	100.0
335.29834	6.8
336.05423	0.3
336.09482	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	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.66476	1.8
68.54476	1.8
70.03352	4.2
70.03770	9.3
70.69849	2.1
71.32767	1.8
281.63013	2.2
335.07352	100.0
336.07813	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27813	3.0
68.77029	2.3
69.78558	18.1
72.59009	2.3
73.52281	2.5
89.50587	2.4
107.81097	2.9
116.58169	2.7
117.33282	2.4
135.59041	2.4
146.99704	2.9
147.97803	2.3
168.11931	2.6
219.58008	2.7
221.38545	2.9
231.52997	2.7
293.10825	4.7
298.98764	2.6
335.07391	100.0
336.07397	3.8
356.43054	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	335.0914
Annotation	Halenaquinol
Peak:m/z	Relative Intensity
53.03930	0.3
55.05486	0.4
56.55018	0.3
56.96561	0.3
57.07060	0.7
69.03416	0.4
69.07040	0.6
70.06589	2.4
71.08600	0.4
71.59157	0.3
79.05451	0.3
81.07057	0.5
83.04962	0.4
88.07585	0.8
91.05466	0.4
93.07000	0.6
94.12766	0.3
95.04897	0.4
95.08581	0.9
97.06546	0.3
105.07012	0.6
107.08569	0.5
109.06460	0.6
117.06944	0.3
121.10106	0.4
131.08565	0.4
132.10165	0.8
133.06439	0.3
137.05992	0.4
141.70013	0.3
145.10138	0.5
146.11710	0.8
159.11571	0.3
159.17244	0.3
189.07022	0.8
190.07767	4.9
194.07286	0.6
195.08055	2.2
201.55515	0.4
202.07803	6.1
203.08563	1.4
204.09261	0.4
205.06448	1.6
209.09589	0.7
215.08533	0.9
218.05162	0.7
218.07274	12.1
219.07988	1.3
220.08826	0.9
221.06006	2.5
228.23218	1.4
228.30112	0.3
229.06476	1.4
229.23563	1.1
230.07245	4.2
231.08086	0.9
232.05154	0.3
232.08768	0.4
233.05980	3.4
233.09583	3.6
234.06541	0.4
235.11229	0.7
237.09100	5.8
238.02657	0.7
244.05023	0.4
245.05888	0.6
245.09630	8.6
246.06789	7.0
246.09708	0.4
247.07347	1.0
248.08279	1.1
249.05473	1.2
249.08871	0.4
250.06200	0.9
251.10683	2.9
256.03653	0.5
257.05969	3.6
258.06757	1.9
259.07535	1.0
260.04678	3.2
261.05536	7.1
261.09109	48.6
262.06339	0.6
262.09454	2.7
263.06998	1.0
263.10602	0.6
265.04852	0.4
265.08618	1.6
272.25827	1.8
273.05444	1.0
273.26233	2.9
274.06293	3.1
275.07040	2.2
276.07806	3.1
277.04953	5.1
279.06613	2.1
280.07181	0.4
288.04208	4.2
289.08588	45.7
289.25577	0.4
290.08911	2.3
291.06827	0.5
291.10074	1.0
292.07315	9.0
293.07608	0.5
302.05853	0.8
303.06540	8.3
304.03616	0.8
304.06897	0.5
307.09650	1.4
308.06802	0.7
317.08084	1.3
319.06012	15.8
320.06769	7.0
321.06979	0.4
331.10287	0.3
334.29639	4.3
335.09140	100.0
335.29807	9.4
336.09457	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46351	0.6
55.01864	0.8
55.05508	3.3
56.05042	0.9
56.96563	0.9
57.03424	1.9
60.04533	0.8
61.02914	2.6
67.05494	1.1
69.03138	0.6
69.03434	7.1
69.07050	1.1
70.06579	2.3
71.05005	3.0
71.14456	1.2
71.14791	0.7
73.02909	0.9
78.12908	0.6
79.05489	1.1
81.03410	4.2
81.07059	12.8
83.08616	5.0
83.78945	0.6
84.08158	1.1
85.02905	18.1
85.06519	3.3
86.09687	0.9
87.04457	1.2
91.03912	0.8
91.05465	1.6
93.07048	0.9
95.04951	1.0
97.02894	6.3
98.06018	0.7
98.09684	2.5
98.97583	0.7
98.98457	1.0
99.04452	0.9
99.08082	2.0
108.08158	3.1
109.02861	2.8
109.06522	14.0
110.06010	0.8
110.08765	0.6
116.98606	1.3
119.04942	1.2
120.08103	0.7
121.06506	0.8
123.18565	0.5
124.07651	1.0
126.09155	40.4
127.03945	2.4
127.07554	12.8
127.09494	1.2
127.33101	0.6
128.07855	0.6
130.24570	0.6
132.83794	0.6
134.99684	0.8
135.04338	0.9
136.07559	1.0
137.05971	3.4
139.03926	0.8
145.04958	2.7
147.04446	1.2
154.08630	53.3
155.07033	27.9
155.08955	1.3
155.10635	0.6
156.07301	0.6
172.09689	100.0
173.08101	0.8
173.10027	1.9
237.02873	0.7
243.57524	0.7
316.14096	1.2
317.10706	1.0
334.15228	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40571	0.5
53.03941	1.0
55.01850	0.7
55.05514	5.4
57.03426	2.7
61.02917	2.2
67.05486	1.0
67.70258	0.6
69.03117	0.6
69.03435	6.6
69.07059	0.7
70.06583	1.6
71.04972	2.7
71.50754	1.3
73.02918	1.2
79.05497	2.1
81.03405	2.0
81.07057	14.8
83.08621	4.9
84.08118	1.9
85.02905	15.5
85.06534	2.7
90.02773	0.7
91.03957	1.1
91.05485	1.6
93.07043	1.0
95.04967	0.6
97.02898	5.7
98.06027	1.3
98.09692	1.9
98.97563	1.1
99.04449	1.2
99.08080	1.5
108.08108	2.6
109.02879	2.3
109.06528	13.2
111.08070	0.8
112.83353	0.7
116.98647	1.2
126.05495	0.7
126.09158	43.8
127.03927	3.4
127.07552	16.1
127.09479	1.1
136.07544	1.1
137.05951	2.8
145.04994	3.2
154.08633	61.4
155.07033	30.2
155.09010	2.1
156.07413	1.0
172.09686	100.0
173.08408	0.6
173.10031	2.6
237.02739	0.6
322.45447	0.7
334.08978	1.9
334.14923	1.6
335.09982	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.3
53.98082	1.4
55.05513	1.5
55.93490	1.4
56.96563	2.9
57.03436	1.8
60.04503	2.2
61.58200	1.5
69.03426	4.9
70.06587	3.9
70.56068	1.4
71.57030	1.6
71.57410	1.8
72.08149	1.7
73.02919	1.5
74.06039	1.6
81.03423	3.4
84.08153	2.1
85.02898	11.1
85.06523	1.5
86.09696	3.4
91.05457	2.0
97.02872	4.9
98.97563	2.4
98.98447	2.3
99.04466	1.5
109.02886	1.5
110.06055	2.3
116.98627	2.3
119.04958	1.9
123.04440	1.8
123.05568	1.8
124.07574	3.7
127.03933	3.7
135.04430	1.8
136.07610	1.9
137.05952	8.5
138.09090	1.8
142.04834	2.4
143.01936	2.5
144.10194	1.8
145.03358	1.6
145.04893	1.7
147.04413	3.4
152.07024	2.0
153.05486	6.9
154.08627	18.2
155.01913	1.6
161.02972	5.0
164.07069	26.0
172.09688	24.0
173.03029	1.8
173.06619	2.4
173.12811	2.3
185.06645	1.9
192.06548	2.0
192.08089	2.4
201.12395	4.4
203.04117	6.0
211.07556	1.8
220.07535	15.1
221.04980	2.9
223.01169	2.9
238.08633	51.8
239.09065	2.0
248.07140	8.3
249.07822	9.0
252.06421	2.1
260.46765	1.5
265.07410	5.3
266.08133	69.9
267.08673	4.7
270.07501	2.8
284.09180	100.0
285.09750	4.2
293.10852	5.8
302.10297	11.3
312.05472	2.7
315.89664	1.4
316.11774	53.7
317.12146	2.3
328.84506	1.4
334.12994	2.7
334.18372	2.8
335.12076	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	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31885	1.1
56.96563	2.4
57.07067	1.3
58.99106	0.8
67.05501	2.8
69.07063	1.5
69.30491	8.2
69.30898	1.8
75.04446	1.1
75.39494	1.0
77.57202	1.0
79.05492	1.9
80.47903	1.1
81.07069	1.9
83.08627	1.2
85.02908	1.3
91.05480	2.3
93.07030	3.1
95.04996	1.3
95.08606	1.9
98.98460	14.2
100.98890	1.2
105.07009	3.4
107.08595	2.3
109.10117	2.2
119.08565	2.5
121.10123	1.4
123.08090	1.0
135.11674	1.0
137.05945	1.3
149.02408	1.2
157.10126	1.2
176.98956	2.3
195.09969	2.6
229.76331	1.0
315.19290	1.3
317.08102	2.5
333.11487	10.0
333.20383	100.0
334.20645	1.9
344.30426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
56.96569	0.4
57.07063	0.5
67.05498	0.4
67.78796	0.3
69.07034	0.3
69.47913	2.8
70.06607	1.6
81.07024	0.3
86.09719	0.3
88.07621	1.5
96.08188	0.3
97.06504	0.4
97.94540	0.3
98.98396	0.4
104.10709	0.4
107.08578	0.3
114.09170	1.1
132.10208	3.0
174.59285	0.3
176.12773	0.8
181.06541	0.3
189.06996	2.4
191.08525	0.6
194.13864	0.7
194.73743	0.3
199.34450	0.3
201.90375	0.3
202.07974	0.3
215.07063	0.3
216.08064	5.7
217.06541	1.4
217.08354	0.4
218.07211	0.4
219.08058	1.4
227.07178	0.3
228.08255	0.4
228.23282	0.5
230.05855	0.5
237.09207	0.6
243.06885	1.5
244.07588	21.2
245.05954	8.1
245.08047	0.9
246.24274	0.5
247.07544	4.2
248.07861	0.3
254.07039	0.8
256.07529	0.8
261.09192	0.4
262.08682	1.9
270.09161	0.4
271.07544	2.1
272.07071	50.9
273.05118	6.3
273.07455	1.6
274.05850	0.6
274.08606	1.5
289.08551	0.8
290.08258	2.0
298.08713	0.5
311.90231	0.3
316.09686	100.0
317.10043	6.4
334.10748	26.6
334.29489	13.9
335.11096	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64741	0.7
53.04581	0.6
53.60141	0.6
55.05525	0.6
55.44045	0.6
56.96569	0.9
57.03416	0.8
64.29333	0.6
64.39035	0.7
64.80101	0.6
67.05492	1.5
70.70076	0.9
70.70428	2.0
79.05484	1.4
79.74080	0.6
81.07044	1.4
86.00414	0.6
88.07617	1.0
91.05505	1.0
95.08611	1.2
98.98479	9.3
105.07030	1.7
107.04995	0.9
109.06565	1.2
109.10180	0.8
119.08601	1.2
123.64700	0.6
131.08649	0.7
133.10097	0.8
145.10104	0.8
147.11710	0.7
159.11638	0.8
176.98958	0.9
218.07376	0.9
235.07693	0.7
245.05980	1.3
245.12367	0.9
249.82608	0.6
273.05710	1.7
290.05597	0.7
305.07993	1.6
315.19400	0.7
333.07544	1.6
333.20389	100.0
334.20642	3.7
334.29492	4.4
351.20169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90136	1.1
56.96546	1.2
57.07082	1.7
60.54822	0.9
67.97321	0.9
69.07072	1.1
69.77976	7.1
70.06570	1.1
72.83190	1.2
81.07053	2.1
83.08620	0.9
88.07609	1.4
91.05510	1.2
93.07072	1.8
95.08611	1.9
98.98455	13.2
100.98920	1.3
105.07024	2.4
107.08588	2.0
109.10155	1.4
119.08605	1.8
121.10159	1.5
133.10120	1.7
136.26503	1.0
137.05995	6.9
138.06351	1.1
139.71031	1.1
145.10124	1.5
146.52682	1.2
151.81870	1.0
159.11673	1.6
167.07040	1.0
176.98955	1.3
193.05031	1.4
257.12357	2.4
315.19321	1.1
333.11728	2.8
333.20377	100.0
333.31824	2.4
333.76071	1.6
334.20694	2.3
342.78152	1.1
345.68454	1.3
350.39590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03944	6.5
55.01867	16.3
55.05498	20.0
57.03427	36.2
57.07077	37.9
59.39838	5.7
61.02919	10.0
67.05492	28.5
69.03430	29.1
69.07060	27.9
70.06586	14.2
71.56293	9.5
72.08135	7.9
72.21322	6.1
73.02881	7.6
79.05487	11.9
81.03419	23.6
81.07057	45.0
83.04971	26.2
83.08628	16.1
84.04502	22.1
84.08142	29.9
85.02411	11.0
85.02904	100.0
85.06557	21.6
86.09713	19.5
91.03945	9.7
91.05468	17.9
93.07050	16.5
95.04984	15.3
95.08607	19.8
97.02895	29.0
97.06545	11.7
98.98456	88.9
99.04434	10.4
99.08095	47.2
101.06092	6.9
105.07036	13.5
107.08577	13.8
109.02867	13.3
109.06524	15.8
109.10162	55.7
111.04485	10.4
111.08042	36.1
119.04940	9.5
119.08581	13.4
120.08106	23.8
121.06522	8.7
121.10133	10.7
123.04437	6.6
127.03915	23.4
127.11198	72.1
129.10265	13.9
130.05014	9.0
130.06570	8.3
135.08051	15.0
135.11745	9.6
137.05986	14.4
137.09569	8.9
137.13158	9.1
143.08548	8.1
145.04938	31.0
145.10107	12.6
147.04411	19.1
147.08083	9.0
151.11160	15.7
153.12746	82.3
155.14294	57.3
158.08163	7.7
163.06070	8.6
171.13814	71.8
174.11264	6.6
176.98932	7.0
177.12730	8.7
191.14441	8.3
195.13855	21.2
197.12827	8.9
199.07581	6.8
218.02716	10.0
241.38226	6.2
253.14282	7.0
254.66570	6.0
284.09097	8.2
300.02505	6.8
314.57928	6.8
315.09586	7.8
315.19901	8.4
333.10785	13.4
333.14438	13.9
333.17825	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	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03937	1.9
55.01867	2.1
55.05509	3.6
57.03442	5.2
57.07073	10.4
59.04741	0.7
59.05005	8.4
60.04521	0.8
61.02933	8.5
65.03936	0.6
66.71847	0.6
67.05499	7.0
69.03082	1.4
69.03434	22.1
69.07069	10.5
70.76215	1.5
70.76553	0.8
71.04996	3.7
73.02907	2.6
73.06522	0.7
74.42262	0.6
79.05483	2.9
81.03424	7.8
81.07050	5.9
83.01335	0.8
83.04981	2.1
83.08615	3.5
85.02910	62.4
85.06548	11.7
85.10179	1.0
86.09703	1.3
87.04462	2.9
91.03967	3.6
91.05457	1.7
93.07045	5.5
95.05025	3.6
95.08612	37.7
97.02282	1.5
97.02901	21.9
97.06540	5.6
98.98458	4.5
99.04439	3.8
99.08102	15.0
105.07043	1.4
107.04945	0.8
107.08595	9.6
109.02893	7.4
109.06532	8.3
109.10154	15.6
111.04474	1.1
111.08083	8.1
111.11713	2.4
113.09647	40.6
114.09964	0.7
115.03929	0.6
119.08562	0.8
119.86172	0.7
121.06532	0.8
121.10182	0.6
125.09619	0.9
127.03921	13.3
127.11194	39.9
128.11510	0.8
133.10132	0.8
135.08049	0.8
135.11691	14.5
137.09572	1.1
137.13254	0.9
139.07576	1.2
145.04976	14.4
147.04367	0.9
151.03882	1.0
153.12750	100.0
154.13081	2.2
155.14317	3.5
163.06097	1.0
171.13806	57.0
172.14157	1.9
173.13008	0.7
177.12750	2.0
187.67548	0.6
189.12724	0.7
195.13802	2.1
213.14893	2.7
242.11604	0.7
249.14944	0.9
279.16101	1.2
297.17007	0.7
301.11984	1.0
307.02496	0.7
331.13464	0.7
333.14874	1.1
333.18994	12.1
334.16519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01854	1.5
55.05505	2.9
56.96564	32.4
57.03437	3.5
67.05502	11.3
69.07051	2.1
70.32895	1.1
70.33297	0.9
71.95271	5.2
72.96043	0.9
74.97591	2.7
78.29231	0.5
79.05067	0.7
79.05495	7.3
81.07059	9.0
83.04955	0.5
83.08613	1.1
84.96033	2.6
88.07619	0.6
91.05484	6.0
92.98634	1.2
93.07043	7.1
95.04943	1.0
95.08606	6.6
97.96848	1.5
98.20808	0.7
98.98463	6.5
105.07042	4.6
107.08593	4.4
109.06491	0.9
109.10143	2.8
110.97558	3.8
115.97829	1.7
116.98580	1.0
116.99377	0.5
117.07001	0.7
117.95106	0.5
119.08572	3.6
121.10135	3.7
123.01197	1.7
123.11654	0.9
128.98595	12.8
129.05472	2.8
131.00079	1.1
131.08537	1.8
133.10098	3.3
133.98891	1.7
134.99640	0.9
135.11639	1.6
140.98434	1.0
141.02205	0.9
143.00121	0.7
143.08546	0.7
145.10126	0.8
146.99657	19.0
147.03252	0.8
147.11671	1.6
149.13235	0.8
151.04329	0.7
152.00124	1.3
155.03795	1.0
157.10075	1.0
159.03296	0.6
159.11673	0.8
161.01227	3.3
161.04938	0.8
161.13249	1.2
161.98413	0.6
165.00751	5.0
169.01617	0.7
169.05394	0.7
170.01256	2.2
171.03300	1.1
171.11627	0.8
173.13290	0.8
174.99030	0.8
175.02737	0.8
176.98924	0.9
179.02243	1.3
181.05383	0.7
189.00548	0.9
189.04370	1.9
201.04305	0.9
203.05904	1.5
208.06274	0.9
209.04678	0.7
217.07433	0.8
222.31062	0.6
223.02658	0.9
225.07896	0.9
227.09474	0.8
229.07391	0.7
235.09921	0.7
241.11066	1.0
243.09119	1.2
245.10602	0.8
249.08031	1.0
252.10272	1.1
259.12167	1.4
259.20633	0.7
259.74234	0.5
263.09644	4.1
264.10107	1.1
265.11124	1.2
277.11218	0.9
281.10675	1.5
282.11301	1.1
286.11255	1.1
303.12711	2.2
309.61584	0.6
313.14688	1.1
315.16293	55.0
316.16611	2.1
321.13779	1.2
331.15924	3.4
332.66562	0.6
333.17355	100.0
333.23648	15.6
333.31885	1.9
334.17746	3.9
349.16672	0.8
351.18420	20.6
354.17383	0.6
356.18973	35.2
357.19290	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	331.2843
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05504	9.7
57.03440	6.9
57.07075	94.1
58.07392	1.8
61.29800	1.0
67.05505	19.4
69.07072	14.9
69.52889	7.3
69.53314	1.8
70.06594	7.6
70.31412	1.1
71.06920	2.7
71.08630	62.2
75.04464	3.9
79.05479	1.4
81.07056	26.1
83.08146	1.8
83.08619	23.2
83.76254	1.0
85.06557	1.7
85.10180	35.9
88.07625	11.0
89.05993	2.3
89.07964	1.6
95.08605	49.4
97.10167	14.8
98.98467	28.8
99.11732	1.9
100.33900	1.3
102.09184	1.9
103.07566	2.2
106.08665	6.0
109.10151	22.4
111.11697	3.7
113.13259	1.8
123.11688	11.2
125.13274	3.9
127.03911	2.7
137.13257	7.5
139.14902	1.9
151.14780	3.1
158.71698	1.1
176.98958	2.2
216.21028	1.2
221.22523	2.0
239.23691	30.5
245.33434	1.1
252.99767	1.3
257.24924	6.1
313.27362	75.7
313.32510	5.8
314.27664	1.7
325.01010	1.4
331.33981	100.0
336.89612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03941	1.0
56.96566	1.0
57.03438	1.5
58.39869	0.6
61.02912	2.1
65.03938	1.4
67.05495	2.2
69.03432	7.0
69.98423	2.2
69.98842	1.5
71.14590	0.7
72.08157	0.8
73.02915	2.1
74.55569	0.6
76.50114	0.7
79.05505	1.0
81.03407	1.5
81.07048	0.9
84.08171	0.7
85.02911	9.0
87.04449	1.6
96.08114	1.0
97.02886	4.1
98.08966	0.7
98.98464	3.0
106.06566	4.4
108.08118	100.0
109.02890	1.0
109.08486	0.7
123.05544	1.1
123.06822	4.0
124.07594	14.3
127.03925	1.7
134.05124	0.9
134.06036	9.4
136.06210	1.1
136.07591	13.1
145.04950	1.0
152.07071	70.6
153.05534	1.2
154.08612	1.8
155.38113	0.7
163.07077	0.7
170.08122	7.5
173.52812	0.7
221.04918	0.9
230.95996	0.8
305.10715	1.2
314.12335	39.4
315.12622	1.2
332.13409	76.7
333.13748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.0
61.02936	3.0
65.03946	0.6
67.05506	2.0
69.03436	8.3
69.24643	0.6
71.04990	0.8
71.50806	1.2
73.02935	2.9
77.32123	0.6
79.05490	0.8
81.03422	2.6
84.04575	0.7
85.02911	12.4
86.09705	1.6
87.04472	2.4
87.77444	0.5
91.03980	1.2
91.05510	0.6
93.05782	0.8
94.93025	0.7
96.08123	1.0
97.02894	5.4
98.98444	1.1
99.04436	1.0
100.22822	0.6
101.93121	0.6
103.02399	0.6
104.10757	1.2
106.06546	3.8
106.44374	0.7
108.08120	100.0
109.02881	1.7
109.08447	0.8
112.89676	0.7
114.70114	0.6
118.80131	0.6
123.06805	3.6
124.07596	14.9
127.03922	4.2
134.06018	9.7
136.07581	13.9
136.93991	4.2
145.04962	2.3
147.05075	0.9
150.05554	0.8
152.07071	70.0
153.07558	0.9
154.08612	2.3
161.03049	1.0
161.05579	4.3
163.82263	0.7
170.06087	2.8
170.08138	7.6
170.09348	1.5
192.34477	0.6
195.07178	0.7
219.07108	1.4
220.07095	0.8
231.07233	0.7
241.57440	0.7
242.08228	2.9
242.58498	0.8
251.08672	1.8
251.58841	0.9
314.12344	38.9
316.70944	0.8
321.10486	4.9
322.10489	0.9
332.13434	67.4
333.13916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07878	0.9
55.05519	2.1
56.96548	1.0
57.07063	2.2
67.05503	1.4
69.03429	1.3
71.05000	1.6
71.08649	1.0
71.58565	1.6
79.05488	2.1
81.03402	1.0
81.07053	1.4
83.04983	1.6
91.05431	1.3
93.07027	1.5
95.08617	1.7
98.98467	100.0
100.98904	2.2
101.06013	2.3
102.54909	1.0
105.06992	2.1
107.08588	1.1
109.10167	2.1
116.99496	5.3
119.08578	1.8
121.10107	1.5
127.03917	17.2
131.08537	1.0
133.10127	2.1
135.08177	1.0
140.01074	2.8
145.10083	1.2
161.13295	1.3
171.11633	1.4
174.99217	6.3
175.01553	9.1
176.98944	10.1
202.07674	1.0
230.07378	1.1
245.09694	0.9
252.99693	2.1
273.09125	2.9
275.06732	1.1
288.10190	1.4
296.22937	1.1
303.10172	2.1
313.18021	1.0
331.12903	6.1
331.18863	24.2
331.22360	1.3
331.30249	5.5
332.12643	1.7
332.19086	1.4
349.17001	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43396	1.1
55.05510	8.4
55.70238	1.1
57.03433	4.4
57.07078	83.3
64.84143	1.2
67.05502	24.7
69.07065	16.5
69.95863	3.3
69.96271	3.2
70.06589	7.3
71.06914	1.5
71.08634	63.7
74.06064	1.5
75.04469	4.1
79.05494	1.6
81.07058	26.3
83.08621	25.2
85.10186	33.8
88.07638	10.7
89.07969	1.7
93.07052	2.2
94.99745	1.2
95.08610	49.2
97.10176	13.5
98.98467	66.2
99.11732	4.0
100.98883	1.9
102.09227	2.5
105.07059	1.7
106.08672	6.3
109.02824	1.2
109.10157	23.5
111.11713	2.5
116.99525	2.0
123.11713	11.5
125.13267	3.3
125.81601	1.2
127.03929	13.4
137.13257	4.4
140.01076	1.6
145.38832	1.3
151.14812	3.0
165.16324	1.4
174.99260	2.8
176.98944	6.1
221.22691	4.5
239.23714	26.0
257.24792	5.8
313.27362	71.4
313.32587	6.5
314.27850	1.4
331.34009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09201	0.9
52.30760	0.9
55.05503	4.0
57.03431	2.3
57.07073	1.7
61.76443	0.8
64.08181	0.9
64.11140	0.8
67.05234	0.9
67.05510	10.9
68.13023	0.9
69.07058	2.8
71.08646	1.4
71.59918	1.2
79.05479	2.7
80.21127	1.0
81.07062	10.5
83.04977	1.4
83.08615	2.4
85.06509	1.4
87.04459	4.0
91.05451	2.4
93.07032	4.5
95.04938	1.6
95.08594	3.3
97.06522	1.2
97.10201	1.2
98.98470	100.0
100.98881	2.5
101.05981	1.5
105.07001	1.8
107.08588	2.5
109.10171	8.3
116.99497	4.6
119.08579	1.6
121.10120	2.1
123.11739	1.2
124.65893	1.0
125.09647	0.9
127.03945	5.5
133.10124	1.1
140.01076	2.7
155.10725	1.5
173.11755	11.6
174.99181	5.3
176.98936	8.1
187.97176	1.0
189.11270	1.0
216.80103	1.0
228.15913	1.2
252.99765	1.9
256.26410	1.2
264.53485	1.2
277.21490	4.7
289.72742	1.1
295.22690	1.5
312.20081	1.0
330.20834	1.2
330.29877	4.7
330.33618	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.96572	1.1
57.07059	1.8
58.69699	0.7
59.76958	0.7
61.02929	0.8
65.03944	0.8
67.05514	0.8
69.03418	2.0
69.07064	0.9
71.08624	1.2
71.10826	1.1
71.11153	1.3
78.72942	0.7
79.05489	1.0
81.03417	1.0
81.07055	2.0
82.73785	0.7
84.08145	1.0
85.02902	2.0
85.10129	0.9
95.08614	1.5
97.02907	0.8
97.06557	0.8
98.16732	0.6
98.98465	100.0
100.98889	2.4
107.04783	0.7
109.02831	1.0
109.06551	0.6
109.10144	1.0
111.04449	2.0
116.99487	4.3
119.01909	2.3
124.07581	1.2
125.06026	0.9
127.03918	11.1
130.06544	0.8
131.01923	1.2
137.02921	0.9
140.01077	1.2
145.03543	0.7
149.01463	0.7
151.03845	1.0
152.07108	1.7
153.05405	0.8
169.04968	4.7
170.08150	1.6
174.99261	5.5
176.98938	11.0
177.00459	1.3
234.43694	0.7
237.02788	1.0
252.99757	2.4
254.99455	1.1
263.09753	0.7
287.10825	3.4
305.69223	0.7
313.27408	1.2
331.04803	1.8
331.09961	30.0
331.12885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
53.00314	1.0
55.05510	4.8
57.07068	3.6
65.03932	2.4
67.05176	1.1
67.05502	14.9
69.03441	1.2
69.07050	4.2
71.04991	1.7
71.58934	2.0
79.05485	1.0
81.03345	1.1
81.07036	2.0
83.01280	1.0
84.91556	0.9
85.06540	9.6
89.30798	0.9
91.05465	4.8
93.07021	2.1
95.08621	2.2
97.06570	1.2
98.98462	100.0
100.98864	2.1
103.05460	1.3
105.07044	2.1
107.08582	2.4
109.02873	1.1
109.10117	2.1
110.97549	1.2
115.05476	0.9
116.99509	3.8
117.93919	1.0
119.04942	1.8
119.08570	2.0
121.10132	1.8
123.61438	1.1
127.03911	14.2
129.07013	1.3
131.04916	5.2
131.08614	1.5
136.87343	1.0
137.05981	1.0
140.01064	2.1
145.06476	1.4
145.10115	2.3
147.04404	8.3
155.08521	1.1
159.04419	7.1
163.03909	3.0
171.04411	1.8
174.99290	4.5
175.03896	68.0
176.04358	1.0
176.98883	10.8
177.05478	7.6
187.03899	19.6
187.07451	1.5
189.05470	5.4
195.07999	1.0
199.03929	6.4
201.05437	4.7
201.09204	1.2
203.03383	4.4
203.07027	2.7
211.07559	1.9
213.05492	2.6
213.09100	2.1
215.06943	2.5
223.07509	1.2
226.06252	6.7
227.06943	1.9
228.07983	1.4
229.08572	21.7
231.10141	10.0
239.06992	1.3
241.08607	17.8
243.07977	1.7
243.10161	16.5
245.08092	2.4
247.09656	37.5
248.10028	1.5
250.42258	1.0
252.99712	1.6
253.08646	1.6
254.99371	1.2
255.10291	1.4
259.09683	9.7
265.10724	1.1
271.09799	1.6
272.36377	1.0
289.08508	4.4
292.73032	1.0
295.13327	3.7
313.14331	11.3
331.11945	2.2
331.15402	9.0
331.18826	2.1
331.22293	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01867	3.6
55.05517	23.2
56.96561	3.9
57.03442	8.7
57.07067	5.2
59.05013	1.6
60.79867	1.3
67.05509	55.8
69.03442	2.5
69.07068	18.8
70.73116	4.2
71.04996	4.9
71.08648	5.4
79.05499	24.1
81.03424	6.5
81.07063	50.8
81.48116	1.4
83.04978	10.5
83.08630	12.0
85.06538	3.0
85.10161	1.6
87.04469	6.3
91.05495	15.7
93.07053	26.8
95.04982	6.0
95.08611	21.6
95.99123	1.5
97.02921	1.6
97.06545	6.6
97.10175	10.3
98.98472	100.0
99.08110	2.3
100.98853	1.7
105.07039	10.1
107.04949	2.0
107.08608	11.0
109.06542	4.2
109.10172	26.9
111.08089	5.2
116.99531	3.5
117.06989	3.3
119.08598	13.0
121.10163	12.1
123.08051	1.7
123.11702	8.8
125.09631	8.6
127.03934	4.2
129.06961	2.6
131.08591	3.1
133.10120	7.7
135.08063	1.8
135.11720	4.5
137.09618	4.4
137.13179	1.8
139.11186	12.6
140.01045	1.6
140.14384	2.3
147.11705	7.4
149.13278	3.5
151.11276	2.2
153.09097	1.8
154.12268	1.5
155.10695	8.5
157.10208	1.6
159.11765	1.8
161.13272	7.2
165.12785	3.2
171.11690	1.9
172.13327	1.6
173.11746	31.3
173.13179	3.1
174.99261	6.6
175.11201	1.6
176.98958	8.0
177.99347	1.5
185.13187	1.7
189.11253	5.1
193.12291	4.1
207.13718	1.7
211.13344	6.5
214.62900	1.5
217.19653	2.3
221.15526	1.4
222.49303	1.4
229.07538	2.8
231.21107	2.1
241.19482	2.6
247.08571	2.5
249.22215	1.8
256.53949	1.8
259.20624	3.5
268.30200	2.0
277.21634	30.7
282.64636	1.6
295.22726	20.6
330.30209	9.8
330.33505	8.0
331.18762	10.2
349.17078	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01867	3.6
55.05513	40.0
56.96561	1.5
57.03434	1.5
57.07065	1.1
57.82194	1.0
59.04982	1.1
67.05508	14.0
69.03437	5.5
69.07063	9.4
69.59109	1.0
70.60568	1.5
71.08639	5.4
76.57750	0.9
79.05498	12.5
81.03430	3.2
81.07061	17.4
81.94840	0.9
83.04980	4.3
83.08621	33.0
84.92667	1.0
85.06544	1.5
87.04493	2.0
90.43671	1.0
91.05463	2.0
93.07043	7.6
95.04929	2.1
95.08584	3.1
97.06581	1.2
97.10173	66.0
98.10452	1.2
98.98467	39.5
99.08099	3.9
100.56212	1.0
105.07021	2.5
107.08610	19.0
109.06531	1.6
109.10154	5.3
111.08070	3.2
116.99483	1.9
117.07001	2.3
119.08566	2.4
121.10147	2.5
125.09634	53.1
126.10001	1.6
126.12798	1.5
127.03918	2.4
133.10159	1.6
135.08083	4.9
135.11655	2.0
143.10645	1.5
143.84860	1.0
147.11670	1.0
149.13248	2.0
151.11249	5.4
153.09106	2.7
161.13271	2.0
163.11243	1.1
171.10278	6.1
171.11574	1.8
174.99307	1.3
176.98933	2.3
179.14320	2.3
179.94600	1.0
189.11224	100.0
190.11594	1.5
191.11839	1.1
191.13948	1.2
193.15964	1.6
210.31218	1.0
241.19498	2.7
259.20648	2.8
277.21622	49.9
278.21982	2.3
295.19702	1.3
295.22690	15.9
331.15601	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48119	2.5
53.03919	2.4
55.01857	2.7
55.05264	2.8
55.05515	41.6
56.96562	2.4
57.03431	4.4
57.07074	5.6
65.03896	2.7
67.05504	35.6
67.20600	2.2
69.03422	4.9
69.07066	16.0
69.28647	22.9
69.29059	6.0
70.06580	3.7
71.08283	3.4
71.08636	54.9
79.05499	21.8
81.03422	3.7
81.07056	40.8
83.04978	3.4
83.08621	34.1
83.30657	2.4
85.06581	2.6
87.04494	12.2
88.07622	7.7
91.05491	13.1
93.07043	19.3
95.04969	5.5
95.08613	21.9
97.06510	7.9
97.10174	58.8
98.20708	4.5
98.98466	86.1
99.08099	54.2
99.66553	2.2
101.06010	29.0
102.09175	4.7
105.07035	12.1
107.08587	27.7
109.06446	2.7
109.10162	11.6
111.08079	6.1
116.99512	3.7
117.06987	4.3
119.08566	9.1
121.10162	6.1
125.09630	52.5
127.03908	7.4
133.10085	13.0
135.08031	7.3
135.11673	7.7
137.09570	4.3
139.07521	2.5
140.14359	5.3
143.08517	2.7
147.11612	2.4
147.49617	2.4
149.13297	3.0
151.11192	30.6
153.09142	4.5
155.10670	2.4
161.13266	23.5
163.11145	10.7
169.79210	3.0
171.10175	6.4
173.11726	7.0
174.99271	5.5
175.14803	2.4
176.98921	8.4
179.14320	23.9
189.11212	100.0
189.12924	5.1
241.19412	6.8
256.26324	9.2
259.20615	10.8
277.21643	92.3
278.21915	4.5
295.22705	32.5
301.07007	2.7
330.26141	2.1
330.30005	48.7
331.18765	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	329.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09094	0.7
53.03942	1.4
55.01865	1.0
55.05257	1.3
55.05507	14.8
57.03429	2.9
57.07081	11.3
67.05171	1.5
67.05505	17.7
69.06718	1.4
69.07068	20.6
69.48466	3.5
69.48894	3.0
70.06594	1.4
71.05006	0.9
71.08643	4.6
74.29343	0.8
75.04482	1.3
79.05495	9.8
81.07054	22.3
83.04961	1.3
83.08612	18.8
85.06535	1.0
85.10184	3.3
88.07630	2.4
91.05502	1.6
93.07047	14.1
95.08606	16.4
97.06531	6.6
97.09602	1.4
97.10166	11.4
98.98466	100.0
100.98878	1.1
103.03925	1.3
107.08601	11.4
109.10164	8.7
111.08076	3.2
111.11724	2.5
115.11180	0.9
116.99503	3.7
118.68423	0.9
121.10143	26.9
123.11711	6.2
125.09653	1.9
129.05424	1.0
135.11694	18.0
137.13249	6.1
139.11266	1.7
140.01068	1.3
149.13223	7.1
151.14824	0.9
153.12727	1.9
163.14812	3.5
167.14253	1.1
174.99208	10.8
176.98918	6.4
177.16475	1.5
219.21066	24.6
237.22119	23.6
252.99762	1.6
255.23206	2.6
311.25797	14.4
312.32520	1.0
329.26807	2.3
330.33685	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	330.0582
Annotation	Nitisinone
Peak:m/z	Relative Intensity
55.05527	0.2
56.96563	0.4
65.18827	0.2
67.05508	0.4
68.97035	0.2
69.28821	0.2
71.32284	0.3
71.32602	0.3
81.03433	0.2
88.22676	0.2
91.05485	0.3
98.98466	14.9
99.98842	0.3
100.98926	0.3
105.34202	0.2
109.77640	0.2
116.99500	0.7
122.06014	0.2
127.03941	0.6
174.99202	0.7
175.99585	0.4
176.98965	1.0
226.07771	0.4
233.04211	0.4
240.08221	0.5
251.07253	2.6
257.04282	1.6
259.04431	1.2
260.05289	1.3
269.08389	0.5
270.09225	0.3
273.06000	0.4
275.04114	0.9
280.07620	2.6
283.04468	3.6
284.05280	26.7
285.05948	1.6
286.06787	0.4
288.04803	1.0
296.04895	0.3
300.04819	0.4
301.05505	0.8
302.06384	3.9
312.04758	21.8
313.05356	2.5
325.27655	0.3
328.04236	0.3
330.05814	100.0
331.06110	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	329.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01865	0.3
53.05323	0.3
53.99918	0.3
54.92802	0.3
55.01864	0.6
55.05515	4.6
57.03426	1.3
57.07079	2.4
67.05506	7.8
68.05840	0.3
69.07069	6.7
69.78638	2.3
71.05000	0.7
71.08623	1.9
79.05498	3.2
80.30614	0.3
81.03414	1.1
81.07059	6.5
83.08627	4.5
85.06586	0.6
85.10189	0.7
86.06097	0.3
87.04487	0.4
91.05467	1.2
93.07049	5.2
95.04978	1.3
95.08609	6.2
97.06548	2.6
97.10177	3.0
98.98469	100.0
99.08095	0.9
100.98920	0.8
103.03962	1.1
105.07030	1.2
107.08595	3.8
109.10165	3.0
111.08096	0.9
116.99503	4.6
117.07015	0.4
119.08588	1.1
121.06544	0.5
121.10154	6.3
123.11704	2.1
125.09627	0.7
129.05481	0.6
131.08501	0.6
133.10162	0.7
135.11694	5.0
137.05981	0.4
137.09619	0.9
137.13287	1.3
139.11162	0.5
140.01080	2.7
145.10197	0.9
147.11691	0.5
149.13248	2.4
151.11198	2.9
153.12747	0.4
157.10175	0.5
159.11758	0.6
163.14851	1.0
165.25075	0.3
174.99220	10.4
175.00674	0.6
176.98933	4.8
190.32219	0.3
214.59232	0.4
216.01817	0.5
219.21100	5.8
237.22157	4.7
238.22476	0.4
251.00131	1.2
252.99771	1.9
255.23199	0.9
256.26517	0.5
275.19977	2.6
276.20654	0.4
276.53345	0.4
283.18362	0.5
293.21268	2.2
311.25827	3.4
329.26779	1.3
329.32605	0.8
330.30029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05267	0.6
55.05518	8.2
56.96547	1.4
66.25092	0.5
67.05498	3.6
67.39387	0.5
69.03416	0.7
69.07065	4.4
69.51555	1.6
69.51976	2.6
71.04974	0.5
76.96580	0.5
79.05487	5.3
81.07052	3.0
83.04982	1.1
83.08620	6.0
85.06553	0.6
91.05487	2.7
93.07072	2.4
95.04942	1.0
95.08624	1.7
97.06516	1.1
97.10177	13.1
98.98470	100.0
100.98881	0.7
105.07047	2.8
107.04977	0.8
107.07875	0.8
107.08604	16.0
109.06522	0.7
109.10165	1.6
116.99514	5.2
117.07013	0.7
119.08608	1.7
121.10138	0.9
123.08086	0.7
125.08733	1.0
125.09631	10.4
130.93350	0.6
131.08580	0.9
131.71976	0.5
133.10167	1.8
135.08090	0.7
137.05962	2.4
140.01094	3.0
143.10728	0.7
145.10120	1.7
147.11694	1.8
149.09618	1.8
153.09103	0.9
157.10262	0.8
159.11716	0.8
167.07095	0.7
171.10263	0.8
172.94379	0.7
174.99234	11.4
175.07614	0.8
175.99591	1.2
176.98936	4.8
179.14287	0.5
189.11232	17.7
190.95407	2.7
197.13342	0.6
208.96526	2.1
215.08562	1.1
232.96548	2.0
243.08069	5.1
250.97530	1.9
251.00031	1.1
252.00212	0.7
252.99754	1.7
255.98268	0.6
257.19095	1.9
261.09149	0.9
271.07626	2.3
273.99033	0.6
275.20074	17.7
283.79602	0.6
289.08591	16.8
290.09045	1.4
293.21158	1.9
308.05948	11.3
308.09256	0.8
308.56055	2.8
309.02380	0.5
317.06616	1.9
327.03287	1.2
328.09729	1.4
328.19296	0.9
328.57251	3.9
329.17307	4.2
333.60083	0.6
335.05908	1.0
345.04208	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03954	3.0
53.46877	0.4
55.01872	0.9
55.05502	1.8
56.97877	0.4
57.03423	0.6
57.07076	0.7
65.03925	0.5
67.05505	2.6
69.03451	0.4
69.07053	1.6
70.13376	0.9
70.13786	1.4
71.08631	0.6
77.03943	1.0
79.05498	2.2
81.03429	0.5
81.07049	3.2
83.08617	1.2
85.06531	0.8
91.05481	3.7
93.07052	6.2
95.04963	11.6
95.08612	5.1
97.06541	2.0
98.98466	100.0
105.04506	0.8
105.07038	5.5
107.04987	0.7
107.08589	2.9
109.06525	1.2
109.10165	2.0
111.04463	0.4
116.99503	4.2
117.07027	1.4
119.08585	4.9
121.06490	1.2
121.10132	3.3
123.08052	1.0
123.11679	0.7
125.09614	1.2
128.06241	0.7
129.07008	0.9
131.08588	2.3
133.10158	3.6
135.08081	0.9
135.11699	1.0
137.05980	0.6
137.09644	0.7
140.01036	2.5
142.07761	0.8
143.08580	1.8
145.06485	1.0
145.10120	3.3
147.11710	1.0
148.96399	0.4
152.06212	8.8
153.07011	5.6
155.08569	0.9
156.09256	0.4
157.10149	2.5
159.08139	0.6
159.11707	4.1
161.09599	0.9
161.13303	0.5
163.11171	0.6
168.05693	2.3
169.06476	1.0
169.10123	1.1
171.08084	1.6
171.11700	1.0
173.13274	1.4
174.99231	14.9
175.01556	0.8
175.14828	1.8
183.11711	0.9
185.13292	0.7
187.11150	0.6
187.14809	1.3
197.13431	0.7
199.14836	0.7
200.98845	0.4
209.13292	0.8
211.14835	0.8
215.02603	1.5
216.01784	0.6
217.15872	0.7
220.12593	0.5
227.08691	0.6
228.09363	1.9
229.09958	1.3
233.01410	0.7
233.03642	10.6
234.04047	0.6
250.97736	0.7
251.00069	2.7
251.04701	5.1
252.04880	0.5
297.27527	0.4
303.27512	0.5
309.22250	0.6
327.07816	34.9
327.23111	1.9
328.08102	4.5
342.09180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2165
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01872	24.3
55.05514	4.3
57.03424	1.0
67.05503	12.6
69.03436	0.8
69.07075	7.3
69.79443	2.5
71.05000	1.2
79.05493	3.6
79.69354	0.6
81.03426	4.5
81.07051	4.4
82.44398	0.7
83.04976	2.7
83.08646	2.8
85.02926	0.7
91.05471	3.7
93.07032	5.0
95.04971	9.6
95.08621	3.7
97.06533	27.0
97.10191	2.8
98.98465	100.0
99.04429	1.2
99.14182	0.6
102.99322	0.6
105.07037	2.5
107.04961	2.3
107.08601	3.7
109.06506	1.4
109.10152	6.4
111.04451	5.8
111.08119	0.6
116.99486	4.1
117.06975	1.4
119.08566	2.8
121.06540	0.8
121.10133	1.8
123.08080	1.2
125.09649	2.6
131.04907	0.9
131.08566	1.1
133.10114	1.9
135.08025	1.5
135.11646	1.2
137.05965	1.7
137.09618	5.4
140.01035	1.2
143.08542	0.7
145.10094	0.7
149.09604	1.2
149.13173	0.7
153.09135	1.5
157.10167	0.7
159.11682	1.1
161.09602	1.4
163.11246	0.6
173.11723	2.5
174.99228	15.9
175.11227	1.2
175.99634	0.7
179.10667	0.8
185.13235	0.6
189.11209	1.0
195.13855	1.7
221.11778	0.9
221.15425	1.0
231.13782	0.9
243.03258	0.6
245.19135	1.0
249.14838	1.5
250.99925	2.9
263.20047	4.4
267.15906	2.3
273.18530	3.6
291.19543	16.6
295.15402	0.8
309.20602	43.2
310.20953	1.8
319.09869	0.7
327.12344	0.7
327.18069	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
53.99106	1.0
55.01868	2.1
55.05500	5.7
56.23735	0.9
57.03439	1.3
57.07070	3.2
59.04987	1.0
65.03942	1.1
67.05507	10.0
69.07056	7.4
69.91032	2.3
69.91448	3.0
71.04987	1.1
79.05499	6.8
81.03426	1.8
81.07052	13.1
81.77213	0.8
83.04984	1.8
83.08632	1.6
85.06548	1.7
86.96283	0.9
91.05476	14.2
93.07041	30.7
95.04967	27.6
95.08047	1.9
95.08609	22.7
97.06539	7.2
98.21436	0.9
98.98468	100.0
105.07029	22.0
107.08595	15.7
109.06531	4.0
109.10167	9.2
115.05505	2.1
116.99525	3.3
117.07063	5.1
119.08584	22.0
121.06499	6.0
121.10142	11.9
123.08097	6.3
123.11724	3.1
124.87907	0.9
128.06239	1.2
129.06989	1.3
130.07838	1.3
130.83214	1.1
131.08572	11.6
133.06479	1.2
133.10144	17.8
135.08073	3.2
135.11694	4.2
137.09612	1.8
140.01033	1.2
141.06990	1.0
142.07785	4.7
143.08571	5.7
143.75574	0.9
144.09329	2.5
145.10138	17.7
147.08067	2.3
147.11664	6.4
149.09648	2.6
149.13261	1.7
152.06232	1.1
155.08585	3.8
156.09329	2.3
157.10138	13.6
158.10870	2.2
159.08070	1.4
159.11693	15.0
161.09621	7.4
161.13322	2.3
163.11232	1.4
167.08537	1.5
169.10118	5.3
170.10884	1.8
171.11722	7.2
172.12508	0.9
173.09709	1.1
173.13263	5.0
174.99229	16.9
175.14830	10.0
179.08522	1.2
181.10110	1.3
183.11755	3.3
185.13278	3.7
187.11211	2.6
187.14801	7.0
189.12807	1.3
189.16382	1.8
191.14342	0.9
193.10234	2.1
194.10957	1.3
195.11739	1.8
196.12506	1.0
197.13283	3.3
199.14835	4.3
201.12640	1.0
201.16418	1.6
203.14404	1.3
205.15990	1.0
209.13173	2.1
211.14839	2.6
213.16443	2.5
215.14337	1.7
217.15939	1.6
221.13326	1.1
223.14926	1.5
225.16393	1.9
227.14426	1.0
235.14864	2.1
239.17819	1.2
251.00099	2.5
253.15973	1.5
253.19691	1.2
291.21072	2.0
309.22153	4.2
327.07806	2.8
327.23297	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	327.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	34.3
55.05518	6.9
56.02194	0.8
57.03429	1.6
67.05171	1.2
67.05505	18.9
69.03412	1.3
69.07069	11.6
69.85493	3.2
69.85908	1.5
71.04977	1.5
71.19740	0.8
79.05492	6.1
79.86319	0.7
81.03415	6.6
81.07069	6.6
83.04979	5.0
83.08618	4.6
83.58717	0.8
85.06542	0.9
90.74834	0.8
91.05502	4.8
93.07043	4.6
95.04962	13.1
95.08614	5.3
97.06533	33.4
97.10168	4.5
98.98468	100.0
99.04440	2.3
105.07012	3.8
107.04961	3.1
107.08588	5.1
109.06532	1.6
109.10165	9.3
111.04449	6.9
111.08037	1.4
116.99496	3.4
117.07059	1.6
119.08586	3.9
121.06503	1.1
121.10132	1.9
123.08062	1.1
125.09644	4.6
129.06998	1.2
131.08569	2.0
133.10117	2.6
135.08057	1.4
135.11632	0.8
137.09621	8.4
140.01070	0.9
143.08591	0.9
145.10095	1.1
147.11652	1.3
149.09633	3.3
149.13306	0.9
153.09117	2.9
157.10085	0.9
161.09567	1.2
163.11165	1.2
165.09082	0.8
167.14368	1.4
171.11731	1.0
173.11758	4.9
174.99242	16.1
175.11212	1.0
179.10655	1.4
185.13219	2.2
189.11230	1.9
194.29163	0.7
195.13782	0.8
242.57993	0.8
249.14920	1.9
251.00049	3.5
255.17540	1.0
263.20065	5.4
267.15894	3.2
273.18497	3.8
291.19553	23.8
309.20615	61.1
310.20880	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	326.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88313	0.5
53.03940	1.2
55.01862	2.0
57.03432	1.8
61.02920	2.2
68.99770	0.6
69.03076	0.9
69.03435	14.5
70.06589	1.2
71.04967	0.9
71.27066	1.2
73.02920	2.3
81.03414	6.9
85.02907	38.9
87.00830	17.0
97.02901	12.0
98.98469	100.0
99.04465	4.0
99.90459	0.5
105.01871	36.7
107.04956	1.4
108.04506	0.8
109.02209	0.9
109.02892	9.0
115.03912	0.8
116.99509	4.1
123.04467	0.7
126.05598	0.6
127.03919	28.2
128.04303	0.6
129.01842	0.7
135.04451	0.8
145.04959	12.7
145.06000	0.9
147.02879	1.3
151.06297	2.1
152.07106	1.7
154.16603	0.5
159.02910	3.8
162.05548	1.3
164.07095	1.8
173.86888	0.5
174.99237	17.2
176.61690	0.5
189.03983	1.5
190.04889	0.7
200.07082	0.7
202.05061	0.7
208.18314	0.6
213.03940	1.3
223.60370	0.6
228.06586	1.0
231.05026	10.2
237.10226	1.4
246.07681	1.8
249.06047	5.4
251.00053	3.6
257.74060	0.6
259.89780	0.6
308.13937	0.6
326.08691	1.3
326.14731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
54.39579	0.5
55.01857	1.6
55.05512	3.8
57.03440	2.6
57.07059	0.8
59.05000	1.0
61.02933	5.0
69.03433	7.8
69.07076	1.1
69.81677	2.9
70.06562	0.8
71.04977	1.3
72.08161	0.7
73.02908	1.5
73.08797	0.6
76.04032	0.5
79.05499	0.7
81.03416	3.5
81.07035	0.5
83.04989	0.7
83.08623	10.2
84.04504	4.5
84.08170	0.6
85.02909	50.6
86.09683	1.2
87.04467	1.6
87.08108	1.2
91.03960	3.2
91.05467	1.3
95.04982	0.9
97.02895	12.4
97.06543	1.5
97.47919	0.5
98.98471	100.0
99.04463	2.2
100.02215	0.7
100.03997	0.7
101.09660	9.8
105.07055	0.6
107.04926	0.7
107.06110	0.6
107.58668	0.5
109.02886	4.0
116.99512	5.6
119.08597	0.6
119.10686	1.0
123.04444	0.5
127.03919	15.0
130.05013	2.1
135.04410	0.5
136.07570	5.3
145.04970	24.7
146.02734	0.7
147.04395	0.7
147.10156	3.1
147.44221	0.5
163.03911	4.1
163.06024	6.2
164.04247	5.4
164.07076	9.3
174.99232	18.2
176.07050	0.9
180.08810	0.5
182.08215	1.2
199.14430	0.5
208.09712	3.6
251.00056	4.0
256.13254	0.6
294.17108	2.0
296.10324	0.5
301.16904	0.9
308.17639	1.0
309.18307	0.8
326.10721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	34.3
55.05518	6.9
56.02194	0.8
57.03429	1.6
67.05171	1.2
67.05505	18.9
69.03412	1.3
69.07069	11.6
69.85493	3.2
69.85908	1.5
71.04977	1.5
71.19740	0.8
79.05492	6.1
79.86319	0.7
81.03415	6.6
81.07069	6.6
83.04979	5.0
83.08618	4.6
83.58717	0.8
85.06542	0.9
90.74834	0.8
91.05502	4.8
93.07043	4.6
95.04962	13.1
95.08614	5.3
97.06533	33.4
97.10168	4.5
98.98468	100.0
99.04440	2.3
105.07012	3.8
107.04961	3.1
107.08588	5.1
109.06532	1.6
109.10165	9.3
111.04449	6.9
111.08037	1.4
116.99496	3.4
117.07059	1.6
119.08586	3.9
121.06503	1.1
121.10132	1.9
123.08062	1.1
125.09644	4.6
129.06998	1.2
131.08569	2.0
133.10117	2.6
135.08057	1.4
135.11632	0.8
137.09621	8.4
140.01070	0.9
143.08591	0.9
145.10095	1.1
147.11652	1.3
149.09633	3.3
149.13306	0.9
153.09117	2.9
157.10085	0.9
161.09567	1.2
163.11165	1.2
165.09082	0.8
167.14368	1.4
171.11731	1.0
173.11758	4.9
174.99242	16.1
175.11212	1.0
179.10655	1.4
185.13219	2.2
189.11230	1.9
194.29163	0.7
195.13782	0.8
242.57993	0.8
249.14920	1.9
251.00049	3.5
255.17540	1.0
263.20065	5.4
267.15894	3.2
273.18497	3.8
291.19553	23.8
309.20615	61.1
310.20880	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	326.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
53.93041	0.3
55.01886	1.8
57.03436	1.8
60.04527	0.5
61.02930	2.3
68.36856	0.4
68.99793	0.8
69.03076	0.7
69.03435	11.2
70.06593	0.7
71.04998	1.4
71.57883	0.6
73.02908	1.5
77.01603	0.4
81.03425	6.7
81.13204	0.4
85.02911	32.2
86.09721	0.5
87.00837	14.4
91.05488	0.6
94.61868	0.3
95.04975	0.3
97.02903	8.5
97.41248	0.3
98.98473	100.0
99.04452	4.1
101.02377	0.5
105.01873	28.7
106.02199	0.5
107.04966	1.2
108.04498	0.7
109.02893	6.8
110.03266	0.4
116.99498	5.4
117.01830	0.7
123.02917	0.5
123.04437	0.4
127.03926	22.8
128.04230	0.7
129.01859	1.1
134.05962	0.4
135.04428	0.6
136.06128	0.4
140.01106	0.6
145.04968	9.3
151.06276	1.7
152.07076	1.3
153.07628	0.4
159.02910	3.3
162.05501	0.5
164.04312	0.6
164.07060	2.3
174.99245	17.2
178.04945	0.7
189.04031	0.7
189.09148	0.4
190.05023	0.8
200.07117	0.5
213.04012	0.7
213.12498	0.7
228.06581	1.1
231.05011	6.9
237.10252	0.9
244.06044	0.7
246.07645	1.7
249.06055	3.0
251.00040	3.8
280.14313	0.9
291.10904	0.5
308.07602	1.1
326.08881	1.0
326.15213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.0
55.05508	75.7
57.03429	22.3
57.07055	21.7
58.73053	4.9
59.62218	4.8
60.21599	4.8
67.05508	89.6
69.03420	7.5
69.07073	70.3
71.08630	9.9
79.05495	49.5
81.07059	100.0
81.93571	4.5
83.04967	17.2
83.08610	48.6
85.02888	7.8
85.06509	6.1
85.10185	9.7
91.05482	56.2
93.07048	65.9
95.04973	27.0
95.08608	61.1
97.06520	15.2
97.10171	25.4
99.08081	8.9
105.07019	40.9
107.04926	11.6
107.08592	50.1
109.06506	17.8
109.10152	58.0
111.04400	6.4
111.08076	11.5
111.11724	10.1
113.09634	9.8
117.07018	12.1
119.08561	20.0
121.06532	13.6
121.10138	31.0
123.08043	11.3
123.11708	17.0
125.09617	11.9
131.08542	17.9
133.10115	73.7
135.08020	9.3
135.11694	27.5
137.09616	11.1
145.10115	21.9
147.11678	16.7
148.84705	4.9
149.09621	17.1
149.13261	8.9
151.11182	80.4
159.08015	5.3
159.11710	14.3
161.09552	6.2
163.11189	19.0
165.12811	6.3
170.75919	4.5
177.12738	15.1
179.10675	15.1
181.12173	5.5
183.13840	30.3
185.13385	4.9
187.11165	5.0
191.14267	8.6
211.13060	5.4
219.13820	5.2
229.14259	9.0
229.19502	5.7
247.20506	30.6
253.30644	5.6
257.18991	13.3
265.21619	7.9
275.20126	92.5
276.20572	5.2
279.04224	5.2
293.21164	92.4
307.22760	35.5
325.04419	22.4
325.23761	15.6
325.27371	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03941	3.3
55.01863	3.7
55.05514	34.8
56.96563	2.5
57.03444	5.7
57.07081	15.5
59.04993	4.7
64.86436	1.2
65.03944	1.2
65.92915	1.0
67.05177	2.0
67.05511	30.7
69.03440	10.7
69.07072	99.1
69.85600	7.0
71.04999	10.8
71.08634	3.4
73.02885	1.7
73.06545	2.5
76.48212	1.1
76.49880	1.1
79.05505	17.9
81.03418	3.5
81.07062	100.0
82.07368	1.0
83.04991	25.5
83.08620	23.1
85.02915	5.8
85.06548	14.5
85.10128	1.9
91.05497	11.9
93.06467	2.3
93.07047	42.5
95.04978	12.1
95.08613	71.1
97.02919	2.7
97.06541	16.5
97.10168	11.3
98.83044	1.3
98.97609	2.0
99.04463	2.1
99.08084	8.0
101.06029	3.8
105.07047	13.9
107.04960	8.7
107.08600	35.7
109.02850	1.6
109.06570	7.4
109.10164	38.4
111.08088	23.2
111.11729	21.0
117.06976	2.3
119.08582	11.1
121.06514	2.8
121.09311	2.1
121.10152	24.2
123.08055	3.7
123.11713	39.5
125.05972	3.4
125.09639	5.7
125.13264	2.5
127.03925	2.2
127.11214	4.3
129.06998	1.6
131.08592	3.3
133.06444	1.3
133.10156	7.0
135.04370	2.0
135.08064	3.6
135.11702	23.0
137.05966	2.2
137.09613	3.2
137.13261	15.4
139.07513	1.6
139.11191	13.4
141.12778	2.8
145.04916	1.3
145.08984	1.1
145.10109	5.7
147.11719	8.6
149.09628	2.7
149.13249	11.1
151.11211	2.8
151.14839	1.8
153.12753	22.6
155.14392	1.9
157.12408	1.5
159.11716	8.6
161.13240	5.6
163.03922	6.6
163.07576	1.9
163.11247	5.7
163.14848	3.3
164.07082	2.7
165.12776	5.5
167.14282	4.3
169.12212	1.8
171.13809	2.0
173.13280	2.5
175.14941	2.5
177.00699	1.4
177.12819	1.6
177.16435	3.2
179.14243	1.3
181.12233	5.9
186.12701	2.1
189.16353	1.8
191.08383	1.5
191.17929	2.3
193.15771	1.6
195.13687	1.3
201.16389	1.5
205.19533	1.3
209.19011	5.2
211.96442	1.1
215.18031	1.8
219.01784	1.8
233.15349	2.7
235.20734	1.8
237.02742	1.8
263.06900	1.8
271.24207	3.6
277.25327	1.5
289.17996	2.8
289.25235	11.5
295.26324	3.6
301.14847	5.2
307.18738	1.2
307.26312	36.4
325.04242	1.4
325.07693	1.6
325.16064	4.0
325.27359	22.4
325.66397	1.3
326.17300	1.9
341.17612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	17.3
55.05512	29.6
57.07072	6.2
60.95371	4.9
67.05167	5.8
67.05506	63.8
69.03435	27.5
69.07081	30.8
69.83755	6.3
69.84171	18.5
72.58433	3.9
79.05502	40.0
81.07062	100.0
82.79397	4.3
83.04976	7.4
83.08606	16.6
85.06544	6.1
87.77746	4.0
89.42031	5.2
90.80537	4.0
91.05478	38.6
91.33182	4.0
93.07046	43.9
95.04946	13.1
95.08617	47.7
97.06496	22.0
97.10142	5.3
105.07024	38.7
107.04958	6.5
107.08605	32.5
109.06503	13.7
109.10149	30.0
111.08057	5.8
111.11675	4.1
117.06969	6.1
119.08583	33.0
121.06519	8.1
121.10110	24.8
123.08036	10.1
123.11673	14.8
131.08534	12.5
133.10110	38.5
135.08064	7.6
135.11687	12.6
137.09630	11.6
142.41417	4.7
145.10101	19.0
147.11710	29.4
148.36258	4.0
149.09605	14.5
149.13239	9.6
151.11179	12.4
157.10138	7.9
159.11679	13.7
161.13316	7.0
163.11137	10.7
165.12720	11.6
171.11588	4.8
173.13255	5.1
203.91098	4.7
217.15858	4.7
229.19484	6.3
235.16975	17.0
239.17950	7.0
247.20576	9.9
257.18970	13.4
263.20062	21.5
265.21725	7.8
275.17307	5.6
275.20081	71.7
276.20453	5.1
293.21100	11.2
295.22699	8.7
307.22726	23.2
325.04398	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	8.7
55.01881	34.9
55.05524	39.8
57.03448	9.0
57.07064	7.3
61.02930	16.0
65.58759	6.5
67.05508	84.3
69.03438	11.0
69.07079	44.6
71.04987	9.8
71.59972	7.1
72.72579	5.4
75.59086	5.7
79.05492	52.7
81.03433	7.1
81.07050	100.0
83.04987	28.7
83.08635	21.4
85.02925	23.0
85.06573	15.8
91.03957	12.4
91.05487	47.6
93.07046	63.6
95.04959	29.7
95.08609	69.6
97.02882	11.9
97.06532	44.1
97.10188	8.6
104.95229	6.1
105.07021	60.8
107.04955	10.5
107.08583	50.7
109.06527	22.6
109.10159	36.1
111.08077	8.2
117.07029	18.8
119.08582	52.1
121.06507	9.7
121.10142	43.4
123.08068	13.2
123.11717	10.4
125.09637	11.5
127.03926	7.4
131.08571	35.7
133.10130	53.0
135.08116	11.9
135.11742	15.4
137.09598	14.2
143.08607	15.3
144.42671	6.8
145.10130	35.4
147.11694	36.1
149.09625	20.4
149.13254	17.4
151.11201	10.3
157.10182	21.7
159.11717	20.3
161.13309	13.1
163.06042	9.1
163.11153	18.3
163.14810	7.5
165.12796	6.5
171.11720	11.8
171.23203	7.1
173.11826	14.3
173.13290	21.0
175.11247	9.4
180.70581	6.5
181.74960	6.1
183.11728	15.5
185.13211	6.9
217.15883	8.2
229.19435	11.1
239.17960	15.8
257.19101	29.8
263.20023	36.1
275.20078	82.5
279.03952	18.0
289.21634	38.1
293.21100	11.5
295.22797	10.8
307.22702	48.3
307.25790	8.0
325.04398	77.4
325.27136	7.6
333.24216	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	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.43618	2.2
50.47224	2.6
55.01865	3.6
55.05291	2.9
55.05512	27.3
57.03434	4.7
57.07065	9.9
62.06067	3.8
67.05508	28.4
69.03418	6.8
69.07068	30.8
70.23833	2.2
71.04977	3.8
71.08627	18.8
71.58723	3.4
79.05494	13.5
81.03423	3.4
81.07063	32.3
83.04956	2.9
83.08624	13.8
85.02879	3.6
85.06532	3.8
85.61565	2.9
91.05463	12.0
93.07045	19.6
95.04971	17.8
95.08620	33.1
97.06518	6.8
97.10159	7.9
99.08098	24.1
105.07037	15.5
107.04909	2.6
107.08604	16.5
109.06497	25.1
109.10165	10.8
111.04423	5.1
111.08083	5.2
117.07018	4.6
119.08560	9.4
121.06488	8.0
121.10152	15.7
123.08083	4.5
123.11663	3.1
131.08594	6.1
133.10127	4.9
135.08107	6.2
135.11690	6.5
137.09653	2.7
139.11192	7.1
141.09148	2.7
145.10121	7.6
147.11703	4.0
149.09593	5.1
149.13235	3.6
159.11644	4.3
161.13249	3.0
163.11125	6.9
163.14799	3.5
165.12756	39.6
173.13152	5.1
177.12737	5.3
179.90945	2.5
181.15875	16.6
189.84816	3.1
191.14313	5.2
207.22986	2.7
209.15442	2.7
223.13190	4.0
251.16324	5.3
251.23799	3.3
261.22144	14.7
275.20081	11.8
279.03778	4.9
279.23151	4.2
289.21588	44.7
290.22040	2.8
293.21066	16.4
307.03659	5.8
307.22696	100.0
308.23175	4.6
312.89279	2.7
325.04495	22.1
325.27347	28.8
325.31757	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82252	0.3
53.29465	0.3
53.92394	0.3
55.01857	1.2
55.05264	0.6
55.05510	8.2
57.03429	0.5
57.07063	0.8
58.56580	0.3
67.05506	4.5
69.03419	1.3
69.06725	0.4
69.07069	5.9
71.08633	11.5
79.05494	4.2
81.03410	0.5
81.07059	4.6
83.04980	1.3
83.08617	5.2
90.94234	0.4
91.05474	1.9
93.07050	3.9
95.00028	0.4
95.04970	2.5
95.08598	3.2
97.06534	0.8
97.10166	5.9
98.21503	0.7
99.08102	7.1
105.07057	1.7
107.04974	2.0
107.08585	3.8
107.90398	0.3
108.05750	1.0
109.06507	1.2
109.10159	1.1
111.08082	1.0
111.11716	0.5
114.95047	0.3
117.07037	0.7
119.08570	1.0
121.06509	5.3
121.10134	1.2
125.09636	5.5
131.08575	0.9
133.10123	0.9
135.08020	1.4
135.11678	0.6
137.13245	0.4
145.10098	0.7
147.11758	0.6
149.09576	0.4
149.13240	0.7
151.11151	1.1
153.09097	0.9
159.11766	0.8
163.11256	0.4
164.11935	1.0
165.12691	1.7
167.10657	0.7
171.01421	0.6
173.13229	0.5
177.12779	2.2
189.12799	0.4
195.13647	0.4
200.97810	0.4
203.12750	2.8
237.14809	0.6
240.42755	0.4
257.19064	0.8
275.20059	3.7
276.20300	0.5
293.21100	100.0
294.21475	5.6
296.09213	0.4
307.22690	12.8
308.23087	0.7
311.22006	0.4
325.04407	1.3
325.27252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62484	3.7
54.61325	3.9
55.01867	4.8
55.05513	25.8
57.03431	12.1
57.07070	12.0
66.47566	4.2
66.74463	4.0
67.05172	6.3
67.05508	98.7
69.07059	17.3
71.04990	5.5
71.59900	5.4
79.05492	61.9
81.07057	100.0
81.63074	4.2
83.04973	6.4
83.08611	14.0
85.06526	9.1
91.05480	33.7
93.07046	78.2
95.04980	8.7
95.08612	74.1
97.06528	9.7
97.10173	14.9
99.08080	8.0
105.07017	25.4
107.04964	14.1
107.08590	57.8
109.06513	7.1
109.10158	40.5
111.08086	8.1
113.09632	5.6
117.07021	13.8
118.71754	3.9
119.08613	27.3
121.10164	58.8
123.08110	5.4
123.11723	28.3
125.09644	11.9
131.08583	35.8
133.06476	5.3
133.10150	20.8
135.08046	7.3
135.11699	60.2
137.13211	7.1
145.10152	25.5
147.11760	19.4
149.09590	7.5
149.13254	27.6
152.81718	4.4
159.11720	24.8
163.03864	4.8
163.11150	6.6
173.13254	10.9
185.23259	3.7
187.14857	6.9
195.13904	4.8
205.19501	9.1
215.17957	62.6
216.18269	4.6
222.84929	4.0
233.19016	89.0
251.20038	10.6
279.03894	4.6
293.21097	4.7
307.22858	21.2
325.04477	13.0
325.23898	31.0
325.28979	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	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.62484	3.7
54.61325	3.9
55.01867	4.8
55.05513	25.8
57.03431	12.1
57.07070	12.0
66.47566	4.2
66.74463	4.0
67.05172	6.3
67.05508	98.7
69.07059	17.3
71.04990	5.5
71.59900	5.4
79.05492	61.9
81.07057	100.0
81.63074	4.2
83.04973	6.4
83.08611	14.0
85.06526	9.1
91.05480	33.7
93.07046	78.2
95.04980	8.7
95.08612	74.1
97.06528	9.7
97.10173	14.9
99.08080	8.0
105.07017	25.4
107.04964	14.1
107.08590	57.8
109.06513	7.1
109.10158	40.5
111.08086	8.1
113.09632	5.6
117.07021	13.8
118.71754	3.9
119.08613	27.3
121.10164	58.8
123.08110	5.4
123.11723	28.3
125.09644	11.9
131.08583	35.8
133.06476	5.3
133.10150	20.8
135.08046	7.3
135.11699	60.2
137.13211	7.1
145.10152	25.5
147.11760	19.4
149.09590	7.5
149.13254	27.6
152.81718	4.4
159.11720	24.8
163.03864	4.8
163.11150	6.6
173.13254	10.9
185.23259	3.7
187.14857	6.9
195.13904	4.8
205.19501	9.1
215.17957	62.6
216.18269	4.6
222.84929	4.0
233.19016	89.0
251.20038	10.6
279.03894	4.6
293.21097	4.7
307.22858	21.2
325.04477	13.0
325.23898	31.0
325.28979	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79884	1.2
53.03947	4.7
55.01871	5.3
55.05513	11.8
56.77637	1.4
56.96563	2.3
57.03447	10.1
57.07066	4.4
59.45727	1.2
63.48753	1.1
65.03934	2.4
67.05506	26.5
69.03436	5.5
69.06726	2.0
69.07075	32.4
69.29517	9.9
69.29944	4.1
69.69996	1.3
70.07413	1.3
71.04990	5.4
71.08630	1.8
75.78815	1.1
79.05497	27.8
81.03421	46.8
81.07063	41.5
83.04988	9.5
83.08627	9.9
85.02931	7.3
85.06537	10.4
91.05488	15.5
93.07048	22.0
95.04974	23.4
95.08609	33.9
97.02904	2.0
97.06542	8.9
97.10163	6.4
98.20708	2.5
98.97620	1.5
99.04456	2.2
99.08105	4.5
101.06021	1.3
103.05486	2.5
105.04526	1.3
105.07030	14.8
107.04960	100.0
107.08616	13.3
108.05305	2.3
109.02871	1.4
109.06525	42.0
109.07266	2.8
109.10166	13.2
111.04468	1.6
111.08101	11.3
111.11750	4.5
113.06004	7.2
116.98568	1.7
117.07018	5.0
119.04966	2.1
119.08597	7.6
120.99319	1.2
121.06502	11.9
121.10139	9.7
123.04445	11.6
123.08069	21.1
123.11705	14.8
125.09650	5.1
127.11185	2.3
129.07018	4.8
131.04945	2.5
131.08569	9.7
133.06493	4.0
133.10167	6.2
135.04417	2.3
135.08090	8.6
135.11693	8.1
137.05977	3.8
137.09607	4.0
137.13271	4.0
139.11192	2.3
141.07005	2.1
141.09120	11.7
143.08560	3.3
145.10144	4.3
147.08038	2.4
147.11697	6.1
149.05983	2.6
149.09682	3.1
149.13269	1.9
151.07591	1.9
153.12759	7.8
155.08533	2.2
157.10147	1.7
159.08087	6.7
159.11732	2.1
161.09639	1.5
163.03859	9.7
163.07581	2.2
163.11272	1.5
164.07016	2.1
165.09134	3.7
165.12753	3.9
169.08748	2.6
169.10130	3.0
171.11702	2.9
173.13255	1.5
175.11165	2.0
177.09151	2.4
179.10661	1.4
187.14806	3.4
189.11284	2.2
191.08189	2.4
197.13297	2.6
205.15973	1.4
208.94855	1.4
215.14343	5.5
217.12306	1.7
219.06506	20.7
219.08287	1.9
220.06819	1.4
233.15388	44.9
235.13333	1.7
251.16425	1.3
253.15915	1.6
261.18423	2.3
271.16965	4.9
279.03891	3.2
289.18054	16.5
300.64307	3.2
307.03571	1.8
307.19064	16.4
307.26321	7.3
325.04474	8.8
325.10709	19.6
325.14142	2.3
325.20276	2.9
325.27332	7.1
326.14185	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.93929	2.0
53.03941	8.5
55.01864	8.6
55.05516	19.3
56.96579	2.5
57.03434	7.4
57.07066	3.2
62.16870	1.8
65.03926	2.3
67.05505	46.6
69.03443	4.0
69.07068	19.9
71.04982	4.7
72.51453	2.0
73.05277	2.0
75.14009	2.0
79.05499	28.6
81.03413	15.9
81.07059	43.0
83.04967	17.7
83.08614	7.4
85.06551	6.9
91.05480	30.5
93.07047	25.6
93.49754	1.9
95.04964	16.1
95.08598	24.1
95.71825	2.0
97.06528	100.0
97.10165	5.4
99.04486	2.4
103.05494	2.8
105.07027	26.5
105.34712	2.3
107.04956	32.3
107.05640	3.6
107.08595	25.1
109.06506	11.7
109.10148	35.8
111.04445	10.0
111.08089	7.1
113.06020	7.6
117.07011	9.9
119.08566	13.0
121.06510	10.6
121.10155	9.1
123.04432	4.0
123.08064	7.5
123.11717	5.4
125.06046	2.3
125.09632	4.0
128.06181	2.2
129.06955	3.1
131.04880	2.7
131.08601	11.7
133.06494	6.7
133.10120	35.1
135.08063	6.2
135.11691	6.2
137.06000	8.6
137.09650	4.5
141.07036	2.0
143.08556	2.9
145.06470	3.6
145.10129	7.2
147.08018	4.9
147.11708	6.1
149.05928	3.1
149.09659	5.7
149.13298	2.6
151.07558	3.5
151.11168	13.2
157.10117	3.9
159.08070	6.1
159.11700	9.7
161.09662	4.3
163.03912	3.6
163.07553	5.5
163.11215	3.6
169.10164	4.2
169.12277	2.5
171.11710	2.3
173.09552	2.4
175.11116	2.3
177.09283	2.2
177.12756	6.9
187.11197	7.5
195.13829	5.3
197.13307	2.5
223.13275	4.9
233.15402	6.7
237.14891	2.2
241.14288	17.0
253.15932	2.8
261.18497	6.6
268.85754	2.2
271.17004	11.5
275.20050	10.5
279.19196	2.9
289.17981	45.5
290.08881	10.7
307.19138	22.1
307.22516	4.0
325.04391	4.7
325.08313	15.9
325.14331	4.3
325.19739	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03956	12.3
55.01880	12.1
55.05511	22.6
56.83715	2.1
57.03437	17.8
62.88233	1.9
65.03944	1.9
67.05506	71.4
69.03416	8.3
69.06783	1.9
69.07072	22.8
71.04983	8.3
71.08602	1.8
71.58527	3.0
79.05491	36.5
81.02983	2.6
81.03422	30.4
81.07060	65.4
83.04987	27.7
83.08629	12.7
85.06527	8.3
87.04433	2.0
91.04962	3.4
91.05482	41.1
93.07043	42.3
95.04974	23.4
95.08604	36.9
97.06538	100.0
97.10164	6.4
99.04453	3.1
99.08104	2.3
103.05489	3.6
105.06387	2.8
105.07029	37.0
107.04952	42.2
107.08593	32.7
109.06520	17.6
109.10155	37.0
111.04464	15.5
111.08121	11.1
113.05981	8.9
115.05431	3.3
117.07032	15.7
119.04943	3.4
119.08582	15.3
121.06491	13.3
121.10151	10.7
123.00027	2.1
123.04431	7.0
123.08051	17.2
123.11684	6.6
125.09626	6.5
129.06978	6.4
131.04913	3.0
131.08571	16.3
133.06476	5.8
133.10138	41.0
135.04405	1.9
135.08032	8.5
135.11691	18.0
136.34906	2.0
137.05919	9.4
137.09578	6.7
139.07555	1.8
139.11237	2.8
141.07013	4.3
143.08565	5.6
145.06491	11.4
145.10124	11.1
147.08025	7.2
147.11673	8.0
149.05971	2.7
149.09616	7.9
149.13223	7.1
150.59898	2.2
151.07581	3.1
151.11188	19.5
153.09070	3.3
155.08571	4.4
157.10124	7.3
159.08057	10.4
159.11697	14.1
161.09567	4.0
161.13177	3.3
163.03856	4.5
163.07521	6.7
163.11154	6.0
165.09116	2.7
169.10129	4.0
169.12267	3.8
171.11681	3.8
173.09621	4.4
173.13272	4.7
175.11131	3.5
177.09009	2.6
177.12819	11.4
179.10851	1.9
183.11723	3.1
185.09581	4.4
187.11218	12.8
189.09196	2.1
189.11197	2.6
189.12793	3.2
193.12146	2.4
195.13786	8.6
197.13255	3.0
205.12181	4.9
211.13257	3.8
215.12697	2.4
215.14488	2.8
217.12068	2.5
219.13831	1.9
221.11765	4.3
223.13260	8.5
233.15306	9.2
239.12589	2.2
241.14355	37.2
243.17386	4.4
247.13263	2.5
253.15845	2.5
257.18979	6.0
261.18533	12.1
271.16946	13.1
275.20081	19.6
289.17978	72.2
289.21213	5.1
293.21146	4.5
307.19049	29.5
307.22461	2.3
317.06912	1.9
325.04584	4.4
325.08295	65.5
325.14304	4.9
325.20013	13.2
326.08728	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	325.1435
Annotation	Lespecyrtin C1
Peak:m/z	Relative Intensity
53.03946	0.9
55.01864	1.5
55.05503	1.8
57.03427	1.3
62.75524	0.4
67.05490	1.7
69.03412	0.7
69.07063	1.4
70.98122	0.6
71.58694	0.7
79.05485	4.8
81.03411	1.1
81.07039	1.9
83.04973	1.3
83.08620	1.2
85.06548	0.7
91.05482	3.0
91.05930	0.4
92.48925	0.5
93.07035	2.2
95.04961	2.0
95.08601	1.8
97.02932	0.5
97.06525	0.8
97.10172	1.3
98.19750	0.5
98.59369	0.4
103.05463	5.7
104.05780	1.1
105.07029	28.0
107.04953	33.1
107.08586	1.2
108.05247	0.8
109.06529	1.8
109.10159	1.5
111.04417	0.6
111.08087	0.5
115.05462	0.9
117.07015	1.5
119.08586	1.0
121.02906	0.7
121.06496	2.3
121.10165	0.8
123.04422	1.2
123.08079	0.5
123.11691	1.0
125.09612	0.9
129.07033	0.7
131.04930	8.6
131.08499	0.8
133.06490	100.0
134.06827	1.8
135.04433	0.6
135.08032	1.7
137.05963	13.8
138.06291	1.0
143.08629	0.5
145.06497	3.1
147.08058	6.1
149.05994	4.8
149.09618	0.8
151.07535	0.6
152.20915	0.5
153.07004	1.7
157.06485	0.8
159.08018	1.6
163.03951	2.4
163.06279	0.8
163.07552	10.1
169.06493	0.8
171.08026	0.7
173.06001	1.9
174.06415	2.3
175.07550	1.5
176.14381	1.0
177.09103	2.1
177.14758	0.9
179.07018	1.5
181.06479	0.8
187.07541	3.3
189.09125	3.8
189.11046	0.7
191.07024	1.2
191.10703	1.3
203.07092	0.8
203.10646	1.0
205.08626	2.3
213.09058	2.3
218.07246	0.6
219.08212	0.6
219.10184	2.1
219.41870	0.5
231.10124	2.0
247.07547	0.8
247.11160	0.7
249.09340	0.7
275.10703	1.8
279.10291	0.9
281.11813	0.7
289.17996	1.8
297.14783	0.6
307.13184	4.0
325.04315	1.4
325.11057	1.5
325.14349	36.8
325.19894	6.1
326.14621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59368	0.4
53.03955	2.4
55.01875	2.7
57.03434	3.0
61.02928	1.3
69.03430	17.3
71.01387	1.1
71.04990	6.8
71.40958	0.9
72.54491	0.5
73.02907	1.8
75.04450	0.7
81.03419	18.1
81.07043	0.7
81.47437	0.5
85.02892	1.5
91.05491	1.6
93.07018	0.7
95.04984	0.7
95.08624	0.6
97.02876	0.7
99.04469	6.8
105.06998	1.3
107.04937	1.1
107.08607	1.1
107.36497	0.5
109.10159	0.6
116.98595	0.6
117.05486	1.7
118.06550	4.2
119.08594	0.8
135.04419	1.7
135.08026	1.0
144.53436	0.5
145.02812	1.6
145.07620	5.4
147.09174	6.3
149.09619	1.4
149.21815	0.5
158.93867	0.5
162.07950	1.2
163.03906	13.8
163.08681	1.0
163.11206	0.5
173.07111	10.9
175.08699	5.7
175.11081	0.8
191.08154	100.0
192.08478	0.8
203.08008	0.5
225.06641	1.0
232.05925	0.7
233.09229	1.2
251.08147	0.7
283.95749	0.6
289.11813	2.0
307.12878	40.8
307.83844	0.5
308.13129	0.8
325.07904	1.2
325.13931	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1399
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.61165	0.6
55.01866	1.2
56.05006	0.7
57.03418	1.8
61.02922	1.0
69.03426	4.2
69.07053	0.7
70.06588	1.1
70.59177	2.3
71.01350	0.8
71.04971	0.7
73.02914	1.3
79.05498	0.9
81.03413	1.3
83.04974	0.7
84.08149	1.7
85.02911	9.5
91.05470	2.9
92.05825	0.8
95.04982	0.8
97.02908	4.1
99.04447	1.4
101.02290	0.6
107.04948	1.2
109.02893	1.1
109.06503	0.6
118.06551	3.4
119.01995	0.7
119.04925	1.4
120.05260	0.6
121.06541	0.6
121.10162	0.8
123.04465	1.4
125.03480	0.7
126.93076	0.6
127.03912	4.8
127.04925	1.3
129.05486	0.7
129.10254	0.7
133.07616	3.6
135.04359	0.9
137.05981	11.8
138.06325	8.4
145.05037	2.6
145.07608	100.0
146.06013	1.2
146.08344	2.1
147.09152	0.8
152.05800	0.7
152.07059	1.7
153.07433	0.9
158.51349	0.6
161.03008	0.6
162.05469	0.9
163.03917	1.7
163.08675	63.6
164.07066	28.3
166.05046	0.7
173.05606	2.9
174.05980	2.7
189.52319	0.7
193.08395	2.4
207.10779	1.7
216.01167	0.7
218.51602	0.6
308.09595	1.3
309.05942	0.8
325.14001	98.5
326.08630	1.2
326.12604	4.6
342.99445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01875	10.0
55.64222	0.8
57.03435	10.5
61.02934	5.9
69.03429	37.2
69.34779	2.1
69.35183	7.7
71.01363	1.2
71.04987	2.2
73.02926	7.5
81.03406	5.0
85.02905	100.0
86.03246	1.3
93.88896	0.9
95.08588	1.2
95.88113	0.9
97.02890	31.5
98.77517	0.9
99.04461	8.3
101.02364	5.8
109.02889	5.5
115.03921	5.1
127.03915	70.5
137.05872	1.8
145.04959	43.5
163.06085	4.6
164.07005	1.6
172.92926	0.9
209.15430	0.9
221.73724	1.0
271.08011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
54.90189	0.8
55.01863	2.2
57.03436	4.0
61.02908	0.7
67.05507	1.4
68.36826	0.8
69.03082	1.5
69.03429	20.8
70.06602	1.2
70.72905	2.6
70.73254	1.3
71.01337	1.0
71.04994	4.5
73.02912	1.5
74.81402	0.7
79.05466	1.2
81.02989	1.4
81.03422	20.6
81.07060	2.0
83.04999	1.0
85.02886	4.6
89.03899	1.2
91.05457	3.2
93.07028	1.7
95.04946	2.2
95.08600	1.0
97.02895	1.4
97.06487	1.0
99.04460	7.2
103.03960	1.0
105.07000	2.7
107.05017	0.9
107.08604	1.8
109.02883	1.4
109.06493	1.4
117.03364	1.2
117.05457	1.6
117.07018	1.6
118.06548	3.9
121.10123	1.2
127.03900	1.4
131.08525	1.1
133.10138	0.9
135.04367	2.4
135.08026	1.4
137.05983	2.5
138.09158	0.8
145.02841	1.8
145.06425	2.2
145.07587	5.9
147.08078	1.3
147.09160	9.0
149.09634	1.0
151.07472	1.1
162.07886	1.3
163.03900	15.3
163.07487	2.0
163.11137	1.3
164.07047	1.2
173.07106	10.1
175.08678	5.6
175.11168	2.8
177.05409	0.8
181.04970	1.0
189.12703	0.9
191.08162	100.0
192.08389	1.3
193.12219	1.9
193.13824	1.0
259.10733	1.0
289.11743	1.8
307.12848	35.9
307.15552	1.6
325.13867	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
55.01883	0.2
55.05499	0.4
56.96551	0.5
63.02386	0.2
67.05496	0.5
69.03424	0.7
69.07059	0.6
70.32073	0.7
71.04974	0.4
71.08639	0.2
79.05486	0.9
81.03442	0.5
81.07059	1.1
83.08610	0.3
85.02901	0.6
86.09693	0.6
89.03914	2.3
91.05479	0.7
93.07047	0.7
95.04987	0.4
95.08611	0.8
97.02895	1.6
97.06519	0.5
99.04491	0.3
105.07026	0.6
107.04960	1.5
107.08574	0.9
109.02896	0.3
109.06503	0.3
109.10156	0.7
117.03374	4.4
120.08096	0.3
121.10162	0.4
123.11687	0.6
127.03933	0.4
131.08580	0.3
133.10153	0.4
134.10501	0.2
135.04419	12.0
135.08043	0.6
135.11650	0.3
136.04794	0.2
137.05951	0.3
142.40323	0.2
145.02849	8.8
145.03984	0.5
155.00183	0.2
163.03906	100.0
164.04233	2.7
173.01245	0.3
175.11264	0.2
175.42969	0.2
181.04968	0.6
191.08223	0.4
247.84599	0.2
251.04248	0.3
252.54645	0.2
291.10742	0.2
297.09613	0.2
316.48267	0.2
325.08832	1.1
325.27399	0.3
349.89755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.88011	0.3
55.01867	0.6
55.05497	0.6
56.05023	0.3
58.22089	0.3
61.62233	0.3
67.05497	0.5
69.03438	0.6
69.07046	0.7
70.06580	0.7
71.57704	0.3
79.05484	1.1
81.03408	0.9
81.07002	0.4
82.06567	0.5
84.04497	0.8
85.02908	1.1
86.09686	0.4
89.03915	2.4
91.05469	0.8
93.07021	0.6
95.04974	0.5
95.08597	0.4
97.02892	1.5
97.06525	1.0
99.04445	0.3
99.08125	0.4
103.05391	0.3
105.07026	0.5
107.04950	2.3
107.08579	0.8
109.02874	0.6
109.06511	0.5
109.10157	0.3
110.06029	0.9
111.04413	0.4
116.07103	0.5
116.98634	0.4
117.03391	3.4
117.05460	0.2
117.07047	0.2
119.08540	0.4
120.08082	0.3
121.10072	0.3
124.07611	0.3
125.09671	0.2
127.03928	0.7
130.04988	0.3
133.06468	0.3
135.04416	12.7
135.08058	0.8
137.05994	1.1
145.01752	0.5
145.02847	9.2
145.03996	0.4
145.10086	0.4
152.07140	0.4
163.03906	100.0
164.04240	3.1
164.07048	0.7
178.96437	0.3
180.13843	0.8
181.04967	1.0
184.07355	0.3
186.95436	0.3
189.36893	0.3
191.08144	1.2
219.11302	0.5
247.10835	0.5
269.12677	0.3
290.14386	0.3
325.08826	0.8
325.14307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39569	0.6
70.11850	3.5
72.59955	0.6
73.07287	0.6
102.85956	0.6
107.04897	0.8
121.10101	0.7
131.08711	0.6
170.64075	0.7
192.75240	0.8
202.07738	4.1
203.08519	1.3
215.08582	0.9
218.07291	3.7
221.09604	0.7
229.06500	6.5
231.08041	1.4
239.21506	0.8
243.07986	2.0
246.06760	17.0
247.07407	1.2
257.05978	11.9
261.09167	1.9
271.07458	1.2
273.05521	3.6
275.07031	15.1
289.08578	100.0
290.08926	2.8
329.43213	0.9
331.66022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	CW 69D
Peak:m/z	Relative Intensity
53.03936	0.4
55.05507	0.4
56.96563	0.3
57.03421	0.4
67.05493	0.6
69.93581	0.3
71.59106	0.4
76.97813	0.3
77.03913	0.3
79.05493	14.2
81.07046	0.6
83.04946	0.4
91.05485	1.2
93.07037	1.7
95.04980	1.4
95.44442	0.3
103.05467	30.9
104.05769	0.7
105.07038	2.3
107.04952	19.7
107.08584	0.6
109.06521	0.3
109.10181	0.4
118.06552	3.9
121.02939	0.3
121.06502	1.7
121.10134	0.3
131.04929	9.8
132.05180	0.3
132.08118	1.3
133.08865	0.8
133.10139	0.5
135.04369	0.3
135.08031	0.4
137.05972	0.4
146.09642	1.4
147.10585	0.4
149.05952	0.9
153.09286	0.3
160.11156	0.8
163.03926	0.8
176.14349	45.5
177.14717	0.7
189.15089	0.5
190.08475	0.4
221.14197	0.3
233.14125	0.3
243.73625	0.3
266.11896	0.3
298.20084	0.3
324.19571	100.0
325.19980	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.13967	0.3
55.01861	0.7
55.05511	1.6
57.03455	0.5
57.07075	0.5
62.06117	0.4
67.05508	3.4
69.07071	9.3
69.80410	1.6
69.80828	0.8
79.05504	3.5
81.03432	0.6
81.07051	7.6
83.04990	3.4
83.08644	0.4
85.06532	0.6
86.09708	100.0
87.10009	0.4
91.05480	8.1
91.06008	0.6
93.07053	11.9
95.04974	3.0
95.08615	2.2
97.06553	0.7
105.07029	13.3
107.04934	1.8
107.08601	3.5
109.06518	9.1
109.10160	1.0
111.08079	3.4
115.48691	0.4
117.07037	0.5
119.08589	5.6
121.06528	0.9
121.10171	1.4
123.08072	1.4
123.11718	0.5
128.10715	4.7
129.07011	1.1
131.08577	3.7
132.10208	30.5
133.06505	1.3
133.10132	15.0
135.08043	0.6
137.05977	0.7
142.07811	0.6
147.11691	13.0
149.09642	1.5
149.13290	1.0
151.07574	2.3
151.11188	42.1
152.11543	0.4
156.10196	1.1
157.10115	1.1
162.86098	0.4
165.12759	2.0
167.14265	0.7
172.53555	0.4
175.11194	3.7
193.12244	4.8
210.14975	0.4
222.15001	1.0
260.20139	7.3
278.21161	30.2
279.21521	0.5
297.23538	0.4
305.10419	0.5
306.20688	7.3
324.04935	0.7
324.21701	24.1
325.04471	0.4
325.22189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1077
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
56.96570	1.1
57.03438	0.6
59.55432	0.7
61.00005	0.6
61.02933	0.9
67.05486	0.7
69.03427	2.1
70.06597	0.7
70.93682	0.9
70.94005	1.2
71.70918	0.5
79.95264	0.5
82.03844	0.6
85.02918	4.9
86.09721	0.7
91.05463	0.6
97.02897	2.1
98.97600	2.0
106.06573	0.7
109.02824	0.7
116.04965	1.4
116.98633	1.9
120.08112	0.8
127.03951	1.2
127.07591	1.4
129.10162	0.6
134.99634	1.1
137.02432	0.6
137.05923	0.9
138.11816	0.6
145.04930	1.2
145.08594	0.9
151.03894	1.1
161.95679	0.6
162.05516	100.0
163.03938	1.6
163.05870	3.1
177.00688	1.2
184.80313	0.6
199.55025	0.6
200.05733	0.6
214.21202	0.6
324.10550	25.4
324.13864	1.0
325.11050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01863	11.9
55.05502	19.2
62.26127	4.6
67.05510	41.6
67.20137	4.4
69.03423	7.8
69.07063	15.5
69.31225	10.0
69.31628	42.5
72.42448	3.8
79.05037	3.6
79.05486	28.8
81.07061	49.6
83.04977	17.1
83.08623	9.4
85.06552	6.7
91.05469	29.9
91.47063	5.1
93.07063	39.3
95.04946	9.8
95.08585	24.7
97.06546	8.1
97.10197	8.2
97.33062	4.1
102.19997	4.4
105.06423	6.0
105.07016	31.7
107.04949	7.8
107.08616	27.8
109.06565	9.3
109.10176	36.5
111.04424	5.7
111.08074	11.0
119.08585	15.9
121.06512	8.3
121.10119	12.3
123.08054	8.1
123.11678	8.7
123.50394	4.4
131.08586	12.1
133.06567	8.4
133.10132	51.7
135.08060	6.4
135.11676	6.1
145.10135	8.3
147.11697	6.7
149.09605	5.8
151.11200	42.2
161.09612	4.9
163.11407	4.4
175.11247	4.6
177.09140	10.6
179.10736	8.8
183.13824	19.7
189.12807	5.4
213.06966	6.2
231.08150	8.7
242.07274	12.4
245.19095	7.7
259.00021	5.3
263.20139	7.0
273.18530	16.4
277.04193	28.9
291.19519	50.8
305.03632	9.8
305.17761	4.5
305.21085	17.5
323.04703	100.0
323.22269	19.8
324.05069	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03936	3.9
55.01863	5.6
55.05268	3.7
55.05513	54.1
56.96558	4.1
57.03428	5.5
57.07075	11.6
59.04995	5.0
65.03951	5.1
67.05173	3.3
67.05505	36.3
68.05853	3.1
69.03445	12.0
69.07071	88.1
69.36427	10.0
69.36864	11.0
70.07410	2.6
70.11434	2.0
70.97680	2.1
71.04987	7.6
71.08613	4.7
73.06559	3.4
77.97613	2.0
79.05492	21.5
81.03416	4.1
81.07060	92.0
83.04964	13.0
83.08636	19.1
85.02888	4.9
85.06567	12.0
89.03957	2.2
91.05470	20.9
92.05805	3.7
93.07045	53.3
94.07359	3.5
95.04977	9.9
95.08606	100.0
96.08966	3.4
97.02886	4.4
97.06524	22.9
97.10168	71.3
98.97580	5.7
99.08096	10.4
105.07024	19.9
106.23520	2.1
107.04947	8.8
107.08603	49.4
109.02834	2.7
109.06489	10.5
109.10162	34.4
111.08089	19.2
111.11721	24.7
113.09686	2.2
115.11189	2.1
116.98600	4.9
117.03384	4.5
117.06985	2.2
118.88818	1.8
119.08583	16.4
121.02863	6.8
121.06470	5.1
121.10144	38.8
123.04436	2.8
123.08083	6.4
123.11711	48.9
125.09620	14.8
127.03917	2.5
127.17194	2.3
129.07027	2.4
131.08562	4.9
133.10120	12.0
134.99622	2.9
135.08040	8.8
135.11685	18.3
137.05986	12.9
137.09592	5.1
137.13205	10.3
138.06316	7.1
139.07526	3.6
139.11188	55.8
140.11504	2.6
141.09073	2.8
143.00140	2.6
143.08586	3.2
143.10672	9.2
145.02834	7.2
145.10095	5.9
147.11699	10.3
149.05933	6.4
149.09622	3.8
149.13255	39.0
151.11189	8.2
153.12749	18.9
154.20242	2.1
157.10172	4.0
157.12244	51.9
158.12595	3.0
159.11722	6.4
161.01224	4.8
161.05922	2.2
161.13278	6.4
163.14799	8.8
165.12761	5.4
167.10707	3.3
167.14352	3.4
169.12161	3.7
171.10205	2.1
171.11580	3.0
171.13795	6.5
175.14882	3.3
177.00760	3.4
177.05476	15.4
177.16362	2.3
178.05809	2.9
179.14305	2.3
182.18831	2.0
189.11223	3.7
189.16364	5.0
197.13028	2.3
203.12794	15.7
213.05446	2.2
215.06790	4.9
221.19064	2.6
252.06519	2.3
259.09674	5.0
259.16928	2.9
261.06976	3.3
269.22668	3.1
274.15106	7.9
277.25323	8.3
283.06174	6.3
287.16455	4.8
287.23685	6.3
305.17206	4.1
305.24762	54.4
306.07697	2.4
306.17792	4.3
306.25055	4.1
323.04715	9.5
323.08893	4.0
323.14880	43.6
323.18381	5.5
323.25809	54.4
324.14569	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05512	27.4
57.03426	2.9
57.07073	3.1
67.05504	22.2
69.03398	6.2
69.07054	15.2
79.05088	3.1
79.05495	22.5
81.03425	3.9
81.07061	20.9
83.04985	5.4
83.08631	12.7
91.05498	13.5
93.07052	18.9
95.04967	13.4
95.08617	16.1
97.10169	23.5
103.82282	2.5
105.07048	12.9
107.04949	5.6
107.08582	14.9
109.10139	4.9
111.04432	2.9
117.07020	5.9
119.08567	8.7
120.10715	2.4
121.10116	5.2
123.08057	8.5
123.11733	3.1
125.09632	20.4
131.08574	7.7
133.06511	3.3
133.10133	5.0
135.08063	6.9
135.11726	2.4
137.09625	3.4
143.08577	5.5
145.10101	7.2
147.08038	7.3
149.09639	6.2
153.09084	3.9
155.14546	2.8
165.09035	3.7
175.11182	2.8
203.12775	8.5
214.28342	2.3
223.13255	13.7
229.75984	2.9
231.08109	4.5
242.07199	6.2
273.18582	15.7
277.04129	13.7
291.19562	100.0
292.20099	4.5
305.03571	5.8
305.21100	18.4
323.01004	4.5
323.04703	49.9
323.22180	14.4
324.05194	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01868	8.9
55.05502	22.5
57.03435	31.6
57.07063	7.6
66.38516	4.1
67.05501	47.2
69.03433	24.6
69.07071	18.7
69.97038	22.0
71.04974	6.4
74.86627	3.7
79.05498	58.4
81.03419	4.8
81.07053	79.7
83.04963	12.2
83.08618	12.6
85.06533	17.9
91.05495	37.4
93.07036	52.1
95.04970	56.8
95.08606	49.1
97.06541	10.1
97.10149	6.9
105.07042	28.9
107.04954	57.5
107.08591	29.5
109.06528	45.6
109.10159	18.3
111.04521	5.7
111.08076	6.8
111.57894	3.6
113.06024	21.9
115.05476	3.7
117.07009	13.8
119.08587	26.3
121.06506	14.1
121.10147	25.8
123.08078	7.1
123.11713	5.2
125.09597	6.1
125.63734	4.1
129.06998	11.8
131.08566	23.3
133.06506	7.2
133.10133	16.8
135.08037	33.8
135.11671	13.9
137.09602	12.4
140.73344	4.9
143.08586	9.4
145.10139	17.8
147.08037	14.5
147.11702	9.1
149.09636	14.3
149.13222	3.7
156.30313	4.0
157.10100	13.2
159.07947	3.5
159.11688	6.6
161.09651	9.0
161.13275	4.8
163.11169	6.2
171.11650	7.6
175.11195	6.5
177.12717	7.8
177.29010	3.7
187.11240	6.1
187.14786	5.3
199.14798	6.5
203.14282	5.5
205.15945	4.5
217.15916	9.6
227.18088	5.7
231.08162	5.2
233.15335	5.2
237.16206	4.2
241.06664	5.7
242.07214	11.3
245.18942	4.4
255.17467	7.4
261.22095	4.3
270.06757	7.3
273.18521	46.2
277.01117	7.7
277.04169	26.1
289.27032	3.9
291.19489	30.4
295.05167	4.3
296.06000	3.8
305.03668	16.1
305.20969	26.3
323.04678	100.0
323.22015	12.3
323.25339	9.1
324.05124	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.1
55.01875	13.2
55.05515	30.4
67.05502	40.8
69.03452	7.2
69.07056	22.2
69.90887	22.0
69.91292	13.4
79.05495	32.6
81.07059	50.3
83.04978	9.4
83.08618	12.1
85.06556	5.7
91.05481	27.8
93.07029	39.4
95.04952	6.2
95.08620	34.9
97.01903	5.4
97.06553	7.1
97.10188	9.1
105.07012	33.9
107.04949	10.1
107.08585	33.2
109.06534	7.2
109.10168	33.0
119.08594	20.1
120.81818	6.3
121.06520	13.2
123.08051	7.5
123.11709	12.4
125.09626	6.7
131.08580	10.1
133.10092	35.4
133.25363	6.3
137.09555	8.1
139.07491	7.9
143.08548	9.5
145.10146	7.0
147.08049	6.0
147.11696	11.3
149.09705	6.4
151.11162	27.6
161.09566	8.5
183.13841	11.5
231.08110	10.2
242.07312	11.4
263.19962	8.8
273.18488	27.2
277.04205	22.8
291.19504	64.1
305.03537	12.8
305.21274	14.1
321.17694	7.1
323.04657	100.0
323.22372	11.5
324.05060	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91407	1.4
53.03947	1.7
55.01876	3.0
55.05516	19.7
57.03437	3.5
57.80021	1.5
62.06092	1.7
67.05508	12.5
68.81275	1.5
69.03432	4.6
69.07071	12.4
71.05005	2.8
79.05496	14.3
81.03419	2.8
81.07069	15.5
83.08616	8.8
88.49229	1.3
91.05483	6.9
93.07058	10.8
95.04974	8.5
95.08606	8.5
97.02927	3.5
97.10182	17.1
97.66303	1.4
97.69515	1.5
98.20734	5.4
99.35581	1.3
105.07059	7.8
107.04958	4.1
107.08605	11.7
109.06545	2.9
109.10159	6.1
111.08097	2.4
117.07014	3.4
119.08582	9.7
121.06480	2.8
121.10155	4.1
123.08063	5.1
125.09634	14.2
129.07001	2.7
131.08578	3.2
133.06488	2.2
133.10129	5.0
135.08044	6.3
135.11754	1.9
137.09641	2.2
137.43077	1.4
145.10129	3.0
147.08109	4.6
147.11682	1.6
149.09595	2.2
151.11237	2.0
153.09071	2.6
157.12286	1.6
159.11673	2.3
161.09590	2.3
163.11224	1.6
165.09055	1.8
171.11623	2.9
203.12796	7.1
221.11690	1.6
223.13284	11.8
230.38889	2.0
231.08034	1.8
237.14835	3.0
245.18990	2.3
249.14993	1.4
270.06790	2.1
273.18497	9.3
277.04178	4.9
291.19543	100.0
292.19818	3.0
305.03598	3.4
305.21136	18.2
323.04724	23.6
323.22308	4.9
324.04996	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1855
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
52.42455	2.1
53.03953	3.4
55.01875	5.9
55.05521	16.8
56.96538	1.8
57.03440	3.7
67.05510	21.9
68.42345	1.4
69.03433	3.0
69.07078	6.0
69.73428	7.6
71.04991	2.9
79.05509	17.8
81.03430	1.8
81.07061	28.2
83.04993	4.0
83.08643	11.5
85.06560	2.8
91.05470	15.3
93.07052	22.7
95.04955	9.0
95.08613	9.5
97.10174	13.9
98.97591	2.2
102.48447	1.7
103.05483	3.3
105.02421	1.7
105.07056	5.8
107.04957	8.8
107.08611	10.0
109.02888	1.8
109.06511	20.2
109.10144	13.0
111.04428	4.6
111.08092	2.3
113.06055	2.0
114.43257	1.4
116.98657	1.8
117.07046	2.2
119.08599	8.0
121.06496	7.5
121.10145	4.7
123.04462	4.6
123.08090	20.9
125.09628	13.5
129.07008	2.8
131.08578	5.3
133.10178	2.0
135.08063	18.5
137.09595	3.7
139.03923	4.6
139.15489	1.4
141.07022	2.6
143.08592	3.9
145.05064	1.6
145.10143	3.4
147.08089	3.7
149.05992	100.0
155.10716	2.5
157.06615	1.8
161.06084	1.9
161.09570	2.3
163.07570	1.9
163.11200	2.5
173.11752	26.1
175.07544	3.1
181.39677	1.6
183.10204	3.2
185.13269	1.6
189.11264	6.4
205.12376	1.7
231.08170	1.9
231.13841	4.4
258.99670	1.9
273.09024	6.1
273.18457	4.0
277.01044	3.1
277.04233	6.3
277.18008	5.9
286.54736	1.9
287.16531	11.5
291.19528	3.9
305.12018	2.7
305.17566	31.6
305.21045	3.7
323.04962	11.3
323.12558	2.7
323.18552	10.9
323.22250	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	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02584	3.0
57.51726	2.7
69.71056	5.5
69.71458	14.0
116.88671	3.1
137.06004	6.5
143.01933	4.8
151.76880	3.0
161.02899	5.7
173.02965	5.9
203.04074	3.4
242.03685	2.4
278.51416	2.7
323.04440	3.6
323.07373	100.0
324.09616	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	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.74263	1.7
55.01879	3.8
55.05504	5.7
57.03431	2.2
65.23228	2.1
66.93002	2.0
67.05482	5.3
69.07049	3.0
69.71067	10.3
79.05476	5.4
81.07045	6.3
91.05479	31.3
93.07043	5.8
95.04952	7.2
95.08595	5.8
97.06531	2.2
97.10143	2.4
98.97572	3.5
99.86080	1.9
103.05474	4.5
105.03403	34.2
105.07015	6.6
106.03649	2.0
107.04945	6.5
107.08559	2.1
109.06422	2.2
109.10133	2.4
109.44825	1.8
115.05444	17.9
116.98611	3.2
117.07026	9.8
119.08618	3.0
121.02877	2.4
121.06540	4.3
121.10065	5.7
123.08043	4.2
128.06236	3.3
128.43248	2.0
129.07011	20.4
131.04886	3.8
131.08511	2.8
135.08090	2.5
137.05971	4.9
139.05438	5.2
141.06960	5.4
143.04948	10.8
144.84799	2.1
145.06509	5.2
149.05949	2.7
153.90233	2.0
157.06496	30.8
160.05223	5.2
161.05991	4.5
165.07014	3.3
167.04964	2.1
169.06483	2.5
171.04376	6.0
174.06703	2.7
175.03957	2.7
175.07550	14.0
177.05476	6.0
178.07777	8.7
179.07120	3.2
179.08537	8.1
180.71935	2.0
181.06508	2.5
185.05997	22.5
187.03897	2.0
188.04617	2.7
188.52725	1.9
189.05432	11.5
190.02657	4.8
191.07072	3.3
191.08569	4.7
193.10118	8.6
196.08817	5.6
199.07607	2.7
202.06171	3.3
202.07759	15.1
203.07019	8.4
203.08681	3.0
205.04956	9.8
206.07211	2.7
207.08051	4.5
208.03647	4.7
210.06677	2.2
211.11189	6.7
213.05371	3.8
215.08568	4.7
217.04985	2.3
217.08412	13.5
217.10403	11.9
219.08095	5.1
220.08852	2.6
221.09622	11.9
223.06021	18.4
225.12682	2.4
226.07762	6.2
227.08643	2.8
231.06339	4.9
231.08310	4.2
233.09494	2.4
235.11163	3.9
237.05528	2.4
237.09132	2.2
238.06277	4.0
244.08873	2.2
245.09808	19.9
247.07573	2.6
248.08099	2.6
249.09088	15.9
251.10756	2.0
252.07732	4.6
253.12257	27.1
255.08116	3.8
258.99835	2.2
261.09299	2.3
263.10553	12.1
265.08603	8.6
266.09427	6.0
272.08347	9.8
273.09131	65.0
273.12183	3.0
273.18365	3.5
274.09518	4.1
277.00854	3.2
277.12268	4.1
279.10040	2.7
281.11713	63.4
282.12073	2.6
287.10712	5.2
291.10123	2.6
291.19485	4.8
295.13315	36.7
296.05548	2.1
305.11743	6.5
305.17487	2.6
305.21265	1.9
323.04919	12.4
323.12775	100.0
324.13071	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	322.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
56.96567	0.6
61.02911	0.3
65.03940	0.8
66.59161	0.3
66.92641	0.2
67.05486	0.4
68.02630	0.3
68.16269	0.2
69.03423	1.1
69.07056	0.4
70.06585	0.6
70.25092	0.7
70.25512	0.6
71.04987	0.4
73.02916	0.3
73.69510	0.2
81.03412	0.5
81.07054	0.7
83.04987	0.8
85.02906	1.1
86.09692	0.4
87.04459	0.4
91.05484	19.3
92.05807	0.4
93.07064	0.4
95.04978	0.3
97.02921	0.6
98.03677	0.6
98.97585	0.9
99.04448	0.6
105.07020	0.4
107.04989	0.3
109.02878	1.8
109.06519	1.5
111.04440	0.9
113.06001	1.7
116.98624	0.7
119.04951	11.3
121.06516	0.8
123.04414	0.4
126.03130	0.8
127.03919	0.7
131.34073	0.3
131.91583	0.3
134.99689	0.4
137.05981	100.0
138.06319	2.0
139.03922	1.2
140.07111	0.3
141.05466	8.4
147.04391	1.3
154.02620	4.2
154.08572	0.3
161.05992	0.4
169.04976	14.3
170.05408	0.4
171.06560	0.7
189.05321	0.6
214.08908	0.3
249.05386	0.3
263.05646	0.4
273.07516	1.3
274.11792	0.4
287.09210	0.3
305.10220	11.1
306.10413	0.5
321.59729	1.3
322.09467	0.6
322.13098	3.5
323.04993	0.4
323.11087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58502	0.4
54.28017	0.4
56.96568	0.6
57.10455	0.4
58.14304	0.4
62.46538	0.4
65.03941	0.5
69.03416	1.4
70.06604	1.0
71.59234	0.9
72.08146	0.4
77.25565	0.4
81.03416	1.0
83.04939	0.7
84.08121	0.6
85.02896	1.6
85.07675	0.8
91.03954	0.4
91.05478	15.4
95.04993	0.5
95.32969	0.4
97.02879	1.3
98.97581	0.8
99.04453	0.6
101.06018	0.5
104.29193	0.4
105.06975	0.6
106.78894	0.4
109.02876	2.2
109.06525	1.1
111.04418	0.6
112.07558	0.6
113.06016	2.2
116.98606	0.8
119.04946	9.4
120.08043	0.6
127.03915	1.4
134.57375	0.4
137.05975	100.0
138.06319	1.8
139.03902	1.7
141.05466	8.4
142.03186	0.9
142.08629	1.1
145.04924	0.5
147.04401	0.6
159.04370	0.5
160.04234	1.0
160.07635	1.0
169.04970	7.8
171.06477	2.6
177.00610	0.5
187.55576	0.7
241.08490	0.7
262.07184	0.8
273.07544	1.3
299.06152	0.6
305.10114	3.7
322.12762	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	321.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	6.0
61.04048	2.0
64.31194	1.0
69.03400	2.0
69.07047	1.5
70.06577	4.8
70.92017	2.1
70.92362	2.7
71.04974	1.3
80.33977	1.1
81.03419	1.4
81.04522	4.0
82.04847	2.0
82.05322	39.6
83.05013	1.2
83.05698	1.3
83.06107	12.7
84.04513	1.2
84.08121	1.7
84.96016	2.1
85.02886	4.1
91.05480	13.2
95.02425	4.1
95.04952	1.9
95.08580	1.4
96.05585	2.3
97.02870	2.8
97.04013	1.8
98.97591	10.8
101.03479	4.4
103.05467	1.6
105.07103	1.1
107.04951	2.0
108.03219	4.3
109.02887	1.9
109.03967	3.0
109.06525	2.0
111.04375	1.5
112.07591	2.9
116.98635	9.5
117.06969	1.5
118.06498	1.5
119.01855	1.1
119.04931	11.3
121.06501	1.1
122.03517	20.2
123.04388	7.4
124.05070	2.9
124.80781	1.0
125.05876	6.5
126.06652	8.9
127.03841	2.5
128.98569	2.8
129.07056	1.1
131.04877	1.1
134.99672	5.7
135.04410	3.0
137.05978	100.0
138.06296	3.0
139.04956	1.3
140.07039	1.2
141.05342	15.8
141.07410	1.3
143.00110	1.9
145.04973	1.1
145.06422	1.2
146.05975	1.8
146.99583	3.2
147.04413	5.2
152.07085	1.3
152.98561	1.5
154.08646	12.0
158.08174	1.8
158.99643	2.2
160.07590	2.7
160.09677	1.3
161.01164	2.5
161.05956	2.3
162.05486	1.6
162.99115	1.2
164.07028	8.9
168.02702	1.6
168.04054	20.9
169.04825	22.6
170.99699	2.2
172.03867	1.5
172.07504	2.1
176.08365	2.0
177.00708	5.1
186.00731	1.0
186.05508	12.9
188.07051	5.4
189.00650	1.4
200.07091	37.0
201.07402	1.8
205.09766	2.8
215.08101	6.5
217.09715	14.3
219.01627	3.9
231.07645	4.2
234.12384	26.8
234.98885	2.6
235.12936	1.2
237.02763	7.5
243.07671	11.5
258.08853	3.0
260.10315	13.0
261.06281	1.8
261.08682	13.3
277.12979	2.5
278.11380	5.2
279.04764	1.7
279.07571	15.4
297.08636	2.3
304.09283	35.7
305.09711	1.4
321.08508	13.0
321.11902	65.7
321.17563	11.4
322.08951	1.6
322.12231	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01866	11.7
55.05511	40.2
56.59636	1.6
57.03436	24.2
57.21267	1.4
58.71710	1.4
67.05506	25.6
69.03427	4.0
69.07060	9.9
69.29404	10.4
69.29829	6.2
79.05491	31.8
81.03418	4.1
81.07060	22.2
83.04990	8.0
83.08624	14.4
89.06078	1.6
91.05483	22.2
93.07041	20.1
95.04975	5.9
95.08584	8.5
96.23738	1.6
97.06534	3.7
97.10173	41.7
98.20724	3.1
105.07027	11.1
107.04962	9.4
107.08592	25.8
109.06532	6.5
109.10142	7.7
111.08080	4.2
115.05460	2.5
117.07021	15.0
119.08581	18.5
121.06507	6.4
121.10135	5.0
123.08039	3.4
123.65383	1.4
125.09633	39.8
129.07007	3.3
131.04932	2.1
131.08551	9.1
133.06474	5.8
133.10089	3.7
135.08055	26.7
137.09618	6.1
141.07060	1.4
143.08560	2.6
145.06476	3.4
145.10146	6.1
147.08041	5.8
147.11655	1.5
149.09631	4.9
153.09100	12.0
155.08528	3.3
157.10239	1.5
157.12227	3.6
159.08052	38.1
159.11703	1.5
160.08800	3.2
161.09628	6.4
163.07570	6.6
169.10110	2.6
171.11655	1.6
173.09628	5.9
177.09152	4.5
185.09618	1.7
187.11172	2.0
187.14821	2.9
197.09660	2.7
197.13303	2.5
201.39241	1.6
203.12772	24.3
203.14507	1.9
211.11125	2.5
215.14349	6.4
233.15337	9.9
243.17378	2.1
253.15883	6.5
261.18271	3.3
271.16928	23.5
286.15109	1.4
286.74411	1.5
289.17966	100.0
290.18259	3.6
293.03671	2.0
303.19638	4.6
321.03201	2.0
321.20584	13.5
321.24066	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	321.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18294	0.5
55.01862	0.8
55.05486	1.8
56.92162	0.5
57.03426	0.5
64.98209	0.5
66.74048	0.5
67.05481	1.7
69.07054	0.7
70.66257	1.0
70.66602	0.9
71.04964	2.0
71.29731	0.5
76.47853	0.5
79.05486	1.4
79.07139	0.4
81.07021	1.9
83.04984	0.6
83.08590	0.5
91.05490	0.7
93.07030	1.5
93.44391	0.5
95.04957	0.6
95.08587	0.6
97.06557	0.5
97.10155	1.1
105.07001	0.8
107.04913	1.3
107.08597	1.3
109.10122	0.8
117.06985	0.8
119.08559	0.9
121.06483	1.4
123.08009	0.6
125.09618	1.1
131.08592	0.5
135.08026	1.4
137.06087	0.6
153.09048	1.0
159.08086	0.9
159.11725	0.9
161.09520	0.6
163.07533	8.5
163.31975	0.5
174.92282	0.6
177.09111	0.7
189.07031	1.5
190.07768	6.2
191.08284	0.5
194.07294	0.8
195.08052	2.1
202.07777	9.7
203.08496	1.5
203.12784	2.2
205.06445	0.5
209.09586	0.9
215.08594	1.5
218.07260	20.4
219.07803	1.5
219.13849	3.6
222.06850	0.5
229.06241	2.4
230.07233	5.6
231.07968	0.8
232.08820	0.6
233.05972	0.8
233.09549	3.7
233.15331	1.5
234.10365	0.4
237.09099	6.5
245.05902	1.1
245.09630	12.8
246.06757	11.3
246.09668	0.8
247.06911	0.6
250.06342	0.8
251.10660	3.8
251.16623	0.7
257.05951	6.3
258.06775	3.2
259.07480	1.7
261.09113	64.1
262.09515	3.6
265.08585	1.7
269.10733	1.1
271.16812	0.9
272.29092	0.5
273.05450	0.9
273.08835	0.5
274.06134	2.7
275.06696	0.5
285.93250	0.5
285.96286	0.5
286.40240	0.5
289.08591	100.0
289.17828	8.2
290.08908	7.8
293.03711	2.7
293.11768	1.9
293.24725	0.5
321.03030	3.0
321.06650	0.6
321.20499	4.4
321.23975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95125	0.5
51.86140	0.5
55.01859	0.6
55.05500	1.2
67.05502	2.5
67.66608	0.6
69.03416	2.3
69.07071	1.8
69.28052	3.5
69.28477	3.1
79.05485	1.5
81.03414	1.9
81.07040	3.6
83.05004	1.0
83.08612	0.7
85.06545	1.4
91.05476	1.4
93.07037	2.5
94.06516	0.6
95.04948	1.8
95.08614	2.1
97.02928	0.7
97.06545	1.6
98.21469	1.0
99.08094	0.7
105.07023	1.6
107.04978	0.9
107.08556	3.2
109.06523	1.4
109.10163	2.0
119.08607	1.2
121.10143	1.7
123.08105	0.7
123.11729	1.0
125.09629	1.1
128.06210	0.6
131.08565	0.9
133.10158	1.2
135.11722	1.0
137.09604	1.0
139.11154	0.7
145.02852	1.9
145.06494	0.7
145.10071	1.0
147.04413	1.3
151.11174	0.8
157.10167	0.7
161.09789	0.7
165.07054	1.0
165.08946	0.5
175.85817	0.6
177.05464	1.7
189.07028	1.6
190.07779	2.3
191.08565	12.9
197.31613	0.6
201.06998	1.0
202.07762	3.6
203.08578	4.0
205.06480	2.1
207.08049	0.8
218.07280	3.6
219.08057	13.5
221.09729	0.7
229.07613	0.9
231.08040	18.1
232.08389	1.2
233.06081	0.7
233.09657	1.1
245.05847	0.6
246.06691	1.0
247.07556	44.2
248.07875	2.2
249.09108	2.2
257.06039	1.6
260.04623	1.1
261.05679	0.7
274.13922	1.7
275.07028	100.0
276.07336	3.9
277.08640	0.7
288.04211	0.9
292.14850	0.7
303.06500	3.1
303.17868	6.2
303.23151	1.1
321.07571	22.3
321.10956	1.0
321.19009	12.5
321.24173	1.8
322.07913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.4
55.01810	0.9
55.05434	1.6
65.71515	0.3
67.05416	2.3
69.03356	0.8
69.06979	3.3
70.72703	1.0
71.04896	0.4
77.80125	0.3
79.05408	1.2
81.03322	1.2
81.06964	5.6
83.04911	0.5
83.08546	0.8
85.02851	0.4
85.06491	0.4
91.05402	1.7
93.07047	4.1
95.04947	2.1
95.08608	3.9
97.00020	0.3
97.06454	1.2
97.10078	1.4
97.10648	0.4
99.04400	0.4
105.07019	2.7
107.04865	0.4
107.08587	3.2
108.07866	0.4
109.02787	0.7
109.06425	1.7
109.10158	4.6
111.07990	0.6
111.11654	0.5
113.09574	0.4
117.06914	0.6
119.08582	1.9
121.10145	2.8
123.08000	0.5
123.11717	2.3
125.09508	0.5
128.06151	0.5
131.08478	0.9
133.10091	1.8
133.70999	0.4
135.11720	2.0
137.05942	0.4
137.09486	1.2
139.11093	1.1
143.06995	0.3
145.02786	0.8
145.10056	1.0
145.95549	0.4
146.20042	0.4
147.08070	0.4
147.11678	2.8
149.05907	0.5
149.09511	0.6
149.13210	0.5
151.11105	0.6
157.10017	0.4
159.11621	1.5
161.09583	0.6
161.13261	0.8
163.11111	1.0
165.09038	1.4
165.12643	1.1
173.13124	0.7
175.11043	0.4
175.14792	0.7
177.05391	1.6
177.06827	0.7
177.09087	0.6
178.07628	0.4
181.06287	0.5
189.06979	1.2
190.07739	1.7
191.06970	0.4
191.08562	6.9
192.08870	0.4
201.06897	0.7
202.07784	3.6
203.08528	3.6
205.06442	1.4
207.07944	1.3
218.07285	2.5
219.08052	8.1
221.09587	1.4
223.07555	0.5
229.06453	0.8
231.08038	24.1
232.08324	1.0
233.05908	1.1
233.09517	0.6
235.07538	0.6
237.09093	0.9
245.05960	0.9
247.07545	22.2
248.07851	0.8
249.09128	1.1
257.06058	2.9
257.22693	0.6
258.06522	0.5
259.07559	0.5
260.04608	0.9
270.06870	0.4
275.07016	100.0
276.07379	3.4
277.08624	2.2
285.22208	1.2
288.04205	0.6
303.06528	1.2
303.16028	0.5
303.23212	3.6
321.07608	48.6
321.24323	5.4
322.07941	1.6
344.49139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0758
Annotation	Dehydrorabelomycin
Peak:m/z	Relative Intensity
55.05500	0.4
56.96539	0.5
57.03424	0.3
58.04287	0.3
59.59109	0.3
60.85495	0.3
62.56234	0.2
67.05480	0.7
67.11842	0.3
69.07047	0.3
79.05479	0.3
81.07018	0.9
91.05468	0.4
93.07035	0.6
95.08559	0.8
97.06454	0.3
98.87128	0.3
99.51255	0.3
107.08595	0.6
109.10133	1.1
121.02831	1.1
121.10091	0.3
123.08053	0.8
124.27412	0.3
127.09375	0.3
131.08534	0.4
133.10077	0.3
137.09659	0.3
143.04839	0.3
151.07545	2.1
165.09048	0.5
176.06169	0.5
177.05415	0.3
178.07739	0.8
189.06952	0.6
189.12733	0.6
190.07733	0.5
191.08498	0.9
192.08347	0.3
194.07216	0.5
197.42177	0.3
199.03989	0.4
200.04575	0.4
202.07819	0.9
204.05656	1.4
205.06511	1.0
206.07275	1.9
207.07930	0.3
207.13850	1.6
208.05157	0.4
216.05829	0.4
218.07268	2.2
219.08063	1.8
221.05997	0.7
221.09579	0.9
222.06757	1.0
223.07547	0.3
231.07990	0.9
232.05223	3.9
233.05914	1.0
234.06758	4.2
236.04677	0.4
237.09029	0.7
238.02583	0.7
247.07503	3.9
248.08401	0.4
249.09073	1.0
250.06287	2.2
251.06999	0.4
256.03595	0.5
259.07379	0.4
260.04694	15.1
261.05130	0.6
262.06244	1.4
265.08667	0.8
267.10278	1.4
275.07022	50.8
276.07288	1.6
277.08575	3.8
278.05734	1.4
279.10141	0.6
288.04147	11.2
289.04617	0.5
289.08643	0.4
293.08054	2.0
303.06525	25.1
304.06857	1.1
306.05249	0.8
321.07584	100.0
321.16617	2.4
321.20569	1.6
322.07944	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	321.0758
Annotation	Haemodorone
Peak:m/z	Relative Intensity
53.03877	0.4
55.01810	0.9
55.05434	1.6
65.71515	0.3
67.05416	2.3
69.03356	0.8
69.06979	3.3
70.72703	1.0
71.04896	0.4
77.80125	0.3
79.05408	1.2
81.03322	1.2
81.06964	5.6
83.04911	0.5
83.08546	0.8
85.02851	0.4
85.06491	0.4
91.05402	1.7
93.07047	4.1
95.04947	2.1
95.08608	3.9
97.00020	0.3
97.06454	1.2
97.10078	1.4
97.10648	0.4
99.04400	0.4
105.07019	2.7
107.04865	0.4
107.08587	3.2
108.07866	0.4
109.02787	0.7
109.06425	1.7
109.10158	4.6
111.07990	0.6
111.11654	0.5
113.09574	0.4
117.06914	0.6
119.08582	1.9
121.10145	2.8
123.08000	0.5
123.11717	2.3
125.09508	0.5
128.06151	0.5
131.08478	0.9
133.10091	1.8
133.70999	0.4
135.11720	2.0
137.05942	0.4
137.09486	1.2
139.11093	1.1
143.06995	0.3
145.02786	0.8
145.10056	1.0
145.95549	0.4
146.20042	0.4
147.08070	0.4
147.11678	2.8
149.05907	0.5
149.09511	0.6
149.13210	0.5
151.11105	0.6
157.10017	0.4
159.11621	1.5
161.09583	0.6
161.13261	0.8
163.11111	1.0
165.09038	1.4
165.12643	1.1
173.13124	0.7
175.11043	0.4
175.14792	0.7
177.05391	1.6
177.06827	0.7
177.09087	0.6
178.07628	0.4
181.06287	0.5
189.06979	1.2
190.07739	1.7
191.06970	0.4
191.08562	6.9
192.08870	0.4
201.06897	0.7
202.07784	3.6
203.08528	3.6
205.06442	1.4
207.07944	1.3
218.07285	2.5
219.08052	8.1
221.09587	1.4
223.07555	0.5
229.06453	0.8
231.08038	24.1
232.08324	1.0
233.05908	1.1
233.09517	0.6
235.07538	0.6
237.09093	0.9
245.05960	0.9
247.07545	22.2
248.07851	0.8
249.09128	1.1
257.06058	2.9
257.22693	0.6
258.06522	0.5
259.07559	0.5
260.04608	0.9
270.06870	0.4
275.07016	100.0
276.07379	3.4
277.08624	2.2
285.22208	1.2
288.04205	0.6
303.06528	1.2
303.16028	0.5
303.23212	3.6
321.07608	48.6
321.24323	5.4
322.07941	1.6
344.49139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01866	1.0
55.05509	1.1
57.07065	0.6
58.63772	0.5
64.65225	0.4
67.05511	2.1
69.03416	0.9
69.07057	1.7
71.04997	0.8
79.05497	1.2
81.03411	1.3
81.07067	3.1
82.82030	0.4
83.04968	0.8
85.02898	1.0
91.05489	1.3
91.99775	0.4
93.07043	1.9
95.04964	1.6
95.08607	2.6
97.06511	0.4
98.21598	0.9
105.07021	1.7
107.08585	1.9
109.02885	1.0
109.06537	0.6
109.10163	2.3
110.63511	0.6
113.06026	0.4
119.08599	1.1
121.02875	0.7
121.10155	1.6
122.60457	0.4
123.11724	0.7
125.09544	0.6
127.03893	0.6
128.06242	1.0
131.08586	0.9
133.10152	0.9
135.11708	0.8
137.06018	0.7
137.09607	0.7
145.10089	0.7
147.04379	0.7
147.11694	0.9
149.09608	0.6
151.11205	0.5
159.07979	0.4
159.11697	0.5
163.11226	0.4
165.07011	1.0
165.09100	1.2
165.69658	0.4
165.72887	0.4
169.17645	0.4
177.05470	0.9
177.06992	0.9
181.06653	0.5
189.07001	1.3
190.07773	4.4
191.08556	17.5
195.08028	0.5
195.09795	0.5
201.07054	1.3
202.07764	4.1
203.08604	3.8
205.06587	2.3
215.08667	1.0
218.07260	5.8
219.08058	17.7
220.08344	0.6
220.24010	0.4
221.09595	1.3
229.07527	2.1
229.57536	0.5
231.08052	18.7
233.05992	0.5
233.09653	1.1
233.74042	0.4
237.02922	0.6
246.06754	1.1
247.07558	69.0
248.07890	1.9
249.09167	3.2
257.06076	1.0
259.07541	1.9
275.07034	100.0
276.07358	3.1
285.22137	0.5
303.06631	0.6
303.19772	0.5
303.23303	1.6
321.07382	2.2
321.12228	0.5
321.16550	0.9
321.24258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2631
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
55.05510	16.5
57.07069	5.1
64.39429	2.3
67.05507	41.2
69.07065	17.8
70.17360	7.7
72.51329	2.1
79.05495	71.5
81.07063	46.6
82.06578	2.4
83.08621	8.5
85.06554	2.8
91.05469	22.0
93.07042	100.0
95.04973	7.4
95.08048	3.8
95.08604	39.2
97.06525	4.1
97.10173	4.2
105.07024	12.5
107.08589	63.0
109.10147	19.0
111.08086	2.6
117.06960	2.9
119.08596	12.1
121.10145	50.3
122.10480	2.9
123.11739	5.0
131.08575	4.6
133.10139	10.5
135.11684	57.4
135.12706	3.4
145.10127	5.2
147.11674	6.9
149.13251	34.7
157.10065	2.6
159.11736	5.9
161.13239	5.5
163.14848	14.6
173.13376	2.5
177.16479	3.9
187.14839	3.7
196.67648	2.4
199.14818	2.8
237.18451	3.6
277.21634	4.0
287.23730	8.4
302.24820	4.2
319.09698	7.5
319.26352	90.8
319.30148	4.5
320.25882	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03371	2.9
71.11763	6.5
71.12111	4.0
72.30646	2.7
80.57022	3.7
107.80174	2.7
119.01955	6.6
133.03532	3.6
137.05998	7.0
150.05510	4.1
161.02892	4.1
218.18268	3.1
219.02928	4.0
245.06340	7.0
259.97864	4.3
319.07095	17.3
319.10516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0788
Annotation	Flustramine C
Peak:m/z	Relative Intensity
69.42063	81.5
70.51466	9.7
94.93012	13.2
98.30209	7.8
98.58006	8.4
103.52871	8.2
147.11832	8.9
178.55745	7.8
179.40532	9.5
180.98793	9.7
213.05345	9.4
216.35019	9.4
319.07581	71.7
319.10129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0963
Annotation	4:5
Peak:m/z	Relative Intensity
52.50349	0.2
53.00811	0.2
57.07076	1.9
58.06591	0.4
58.07410	0.4
69.07058	0.2
70.06592	4.3
70.10382	0.6
71.06905	0.6
71.08647	0.8
78.29086	0.1
81.66898	0.2
84.08172	0.2
85.10172	0.2
88.07632	5.1
89.07946	0.6
97.24397	0.1
98.20818	0.2
102.09182	2.5
103.09511	0.4
106.08695	0.2
114.09151	0.3
131.08569	0.2
132.10220	1.1
133.10576	0.2
150.11253	1.0
151.11577	0.2
175.81593	0.2
189.06970	0.8
202.07780	1.5
203.08524	0.6
205.06535	0.4
206.07130	0.2
215.08556	0.3
216.05684	0.7
217.06499	0.5
218.07344	0.5
219.08032	0.2
221.06006	0.6
222.06625	0.2
229.06467	0.5
230.07271	2.2
231.08026	1.4
232.08823	3.4
233.06053	1.7
234.06760	0.5
241.06442	0.8
244.05197	2.6
245.05984	0.9
246.06787	0.8
247.07594	2.0
248.08310	1.2
249.05495	2.2
256.26355	4.9
256.29053	0.3
257.05951	1.1
257.26700	3.6
258.06769	15.3
259.07516	4.8
260.08307	1.5
261.02737	0.2
261.05453	3.8
262.06183	0.6
263.10727	0.5
269.06024	0.4
270.06830	0.2
272.04626	0.9
273.05536	0.8
273.08981	0.3
274.27472	0.2
275.06992	1.3
276.07813	6.0
277.08368	0.3
285.05289	0.4
286.06241	22.9
287.07001	15.8
288.04269	0.3
288.07407	0.6
289.05200	0.3
289.08505	0.7
300.28949	0.3
301.08533	0.3
301.29309	0.2
303.06528	8.5
304.07281	6.6
318.30051	11.7
319.09637	100.0
319.30377	14.5
320.09973	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	319.0965
Annotation	4:5
Peak:m/z	Relative Intensity
57.07078	1.6
57.51632	0.4
63.19727	0.3
70.06590	3.6
70.13412	0.6
70.13808	0.7
71.06897	0.3
71.08611	1.0
85.10147	0.3
88.07626	5.6
89.07957	0.7
102.09188	2.5
103.09494	0.5
104.97505	0.3
202.07776	0.5
219.08104	0.4
220.08777	0.9
230.07271	2.3
231.07976	0.9
233.06136	0.4
247.07515	0.8
248.08270	1.0
256.26355	6.1
257.06021	1.4
257.26678	5.6
258.06738	15.0
259.07495	4.8
260.08133	0.4
264.04095	0.4
265.82443	0.3
270.06824	0.5
273.09085	2.1
275.07071	1.5
276.07794	4.1
286.03281	0.7
286.06238	7.9
287.07001	6.8
288.07483	0.5
289.05069	0.4
291.10104	0.9
301.08578	2.5
301.29349	0.4
302.08945	0.4
303.06516	5.0
304.07291	22.8
305.07617	1.1
318.30048	12.2
319.09631	100.0
319.30344	17.0
320.09906	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	319.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
57.03450	1.7
57.39938	1.4
58.99866	3.4
61.02933	2.2
67.05492	1.5
69.03429	4.1
69.48443	1.0
70.06593	2.3
70.99859	1.8
71.04990	1.2
71.57474	1.2
72.08150	1.1
73.02894	1.1
77.00917	4.0
79.05522	1.3
82.99871	1.4
83.04974	1.6
83.06115	3.0
84.04543	1.2
84.08147	3.5
85.02903	9.0
86.90799	1.1
89.00920	1.3
91.02519	1.5
91.05479	2.4
93.07063	1.9
95.01936	1.9
95.04948	2.8
97.02908	2.7
98.35269	1.2
101.00881	11.0
101.90269	1.1
105.07051	1.6
109.02886	2.6
109.10098	1.1
110.06059	1.5
111.04440	2.1
115.02454	3.5
116.07128	1.7
117.01878	1.5
119.01926	65.8
120.02036	1.7
120.04488	1.2
121.01673	2.1
121.06506	5.7
122.06073	1.4
122.06826	5.4
127.03912	2.6
129.10216	2.0
131.01924	4.9
133.03479	43.1
137.02972	22.0
137.03999	1.3
137.05980	7.0
138.05504	7.9
138.06409	1.5
138.09181	1.5
139.05873	7.3
142.03468	2.9
143.01917	2.5
144.99916	1.1
145.03502	4.0
145.05019	1.6
147.01344	1.2
147.04347	1.1
148.03966	1.3
149.02969	8.8
149.04803	1.9
150.03226	1.7
150.05501	5.7
151.02676	1.2
151.04535	22.9
151.05661	2.1
156.05132	1.5
156.06517	2.8
156.99857	3.3
157.04829	2.8
157.06891	4.1
159.05070	1.1
161.02946	9.3
163.04584	2.5
166.05045	2.6
167.04079	2.7
167.05762	1.3
168.06676	1.3
171.01421	9.2
173.02960	6.2
175.00896	51.9
176.01071	1.9
177.02480	1.1
179.04071	2.2
181.09618	1.2
187.04561	1.3
189.02467	38.4
191.04045	3.9
193.01953	29.3
193.03651	1.8
195.77441	1.3
198.02461	3.0
199.00871	9.6
201.02434	1.6
201.10785	2.9
203.04027	3.2
207.03441	5.6
212.04036	2.1
213.02428	1.3
217.01949	100.0
218.02127	3.8
219.03490	2.5
221.05080	7.0
227.00308	1.6
231.03543	10.6
235.02998	89.6
236.03166	2.4
240.03523	11.3
242.08311	1.1
245.01364	5.1
247.06688	1.6
249.04646	8.8
258.04678	2.2
259.03098	18.9
260.02887	1.4
261.04645	1.5
265.04111	1.9
273.07928	1.3
275.06271	2.4
277.04108	71.3
278.04199	1.9
284.09018	1.9
293.07333	1.7
295.05121	12.8
300.05634	9.3
301.11951	2.0
302.10226	4.1
319.05136	8.8
319.09207	2.2
319.13275	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
54.38239	0.2
55.01864	0.3
55.05501	0.4
57.03431	1.2
61.02921	1.5
61.42047	0.3
67.05490	0.6
69.03424	4.0
69.07056	0.8
70.75806	0.7
71.04984	0.3
72.08116	0.2
73.02896	0.7
78.31052	0.2
79.05479	0.3
81.03419	1.4
81.07061	0.3
82.06560	0.8
83.04980	0.3
83.08643	0.2
85.02904	7.1
86.09701	0.6
87.04460	0.8
90.06252	0.2
91.03980	0.3
91.05467	0.7
93.07041	1.1
95.04968	0.4
95.08605	1.5
96.04501	2.5
96.08129	2.0
97.02898	2.9
97.05270	1.9
97.05834	0.3
97.06510	1.3
97.84454	0.2
98.06100	0.3
99.04430	0.6
100.07634	1.1
108.08124	0.3
109.02889	1.2
109.06532	0.5
110.06042	6.7
110.09686	4.1
111.08078	1.0
119.04934	0.4
120.08096	0.7
121.06514	0.8
123.04456	1.2
125.08366	1.0
126.09148	8.2
127.03935	1.4
128.10713	0.3
131.18912	0.2
132.66101	0.2
135.04431	0.2
137.06015	1.3
138.09143	20.8
139.07532	1.3
139.09496	0.4
145.04990	0.7
147.04382	0.3
150.09032	0.3
152.10698	0.6
156.10202	100.0
157.10541	2.2
165.05492	1.0
168.10185	1.1
173.12923	0.5
180.10228	0.6
198.11281	0.6
222.11398	0.4
301.10898	0.3
314.58606	0.3
318.15475	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24443	1.8
53.03936	2.5
55.01867	3.8
55.05516	2.7
56.69798	2.0
56.96560	4.2
57.03439	4.4
61.02926	11.8
67.05511	3.1
68.05826	2.1
69.03434	26.0
69.07072	4.2
70.06601	24.7
71.04994	4.7
71.50525	3.7
72.08143	2.7
73.02906	4.7
76.11751	1.9
78.65950	2.0
79.05473	3.0
81.03431	10.9
81.07032	2.2
83.04985	7.1
84.04505	4.9
84.08155	5.2
85.02905	100.0
86.09684	4.8
86.42703	1.8
87.04464	3.0
91.03947	5.4
91.05488	5.2
93.07032	4.1
95.05017	3.6
95.08579	2.0
96.08964	1.9
97.02892	28.0
98.97606	5.5
99.04452	6.5
103.05470	2.1
107.04974	2.3
109.02878	8.6
110.06112	2.0
111.04424	6.4
112.07643	2.5
115.08691	3.4
116.98601	2.9
118.06551	2.5
119.04956	4.0
120.08089	5.7
121.06508	65.0
122.06861	2.9
123.04465	3.0
127.03913	22.9
129.07101	1.9
130.06531	2.1
131.08615	2.3
134.99692	4.1
137.06007	4.6
138.05455	3.5
138.09193	2.1
139.03874	4.0
140.07098	6.9
141.53598	1.9
145.04950	34.8
145.06117	2.6
147.04430	3.0
151.07597	2.1
156.06581	5.6
156.10225	7.3
157.05084	2.7
159.08025	4.0
163.06010	6.7
168.16747	2.5
175.08751	3.9
179.07109	2.5
180.08672	4.4
187.07533	14.6
205.08594	12.9
219.01895	2.0
221.09282	2.4
229.08612	6.1
232.04964	3.4
235.09526	2.3
237.02937	2.9
247.09619	6.3
255.06520	2.6
265.10696	4.0
300.20233	2.5
301.11755	2.9
318.12253	11.5
318.21338	4.9
318.30283	2.3
319.12796	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	318.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64967	6.4
55.01855	9.5
55.93508	8.1
56.96571	11.1
57.03426	19.4
61.02917	8.8
65.03944	6.2
68.33064	6.9
69.03441	32.8
69.07062	17.4
70.04079	20.7
70.06587	21.0
71.02470	23.0
71.21386	16.9
72.04481	9.4
72.08153	29.1
72.42496	6.6
73.02918	21.7
81.03423	9.5
84.04530	16.5
84.08132	19.4
85.02900	60.3
85.06532	65.5
86.09712	62.6
89.03516	17.9
91.05495	13.5
95.08660	7.0
97.02889	29.4
97.05160	7.1
98.03545	54.9
98.05966	11.4
98.97582	8.5
108.08128	8.0
109.02950	11.4
110.06001	12.7
111.04444	9.1
115.06177	23.7
116.98630	9.6
119.08568	7.7
122.06044	15.2
124.03787	13.4
125.04607	21.0
125.06986	97.7
126.05368	22.4
126.07782	14.3
127.03930	14.1
127.06194	6.6
133.05006	14.6
134.26343	7.1
136.06166	42.4
137.04538	11.8
137.06010	37.1
138.05501	100.0
141.04115	19.1
141.06479	21.2
143.05663	45.4
145.05006	9.6
152.05666	11.9
153.06444	75.6
154.07254	46.7
156.06575	73.5
156.10193	17.4
157.13356	7.7
166.04970	8.7
170.06662	7.6
174.00697	8.6
177.08827	9.3
182.06709	9.0
185.16446	8.5
186.06258	53.2
186.09842	7.2
192.96550	7.4
198.06143	11.3
210.06259	8.3
211.07089	8.6
215.11841	7.6
232.07813	11.2
234.99060	11.9
237.02780	10.4
246.78009	6.7
257.11276	17.4
275.09799	11.0
285.10635	21.5
300.17920	12.2
302.10214	17.1
318.11487	13.5
318.15527	13.0
318.18753	52.1
319.13052	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	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
56.96561	1.5
58.62737	1.5
67.05497	5.5
69.03430	9.1
69.07063	15.1
70.06588	4.9
70.94209	2.4
70.94556	2.6
71.05005	1.4
72.08154	6.7
79.05487	3.0
81.03420	3.7
81.07048	5.4
83.04996	1.4
84.04494	2.0
84.08147	3.9
85.02902	6.8
85.06546	1.6
86.09704	14.1
87.10035	4.5
91.05478	4.1
93.07039	3.1
95.04939	2.4
95.08620	3.7
97.02897	3.3
97.06526	2.2
97.10229	1.4
98.97571	1.9
99.04464	2.8
105.07036	4.5
107.04948	2.5
107.08598	2.3
108.08104	2.8
109.02869	2.0
109.06460	1.5
109.08480	2.3
109.10145	5.0
111.04485	2.7
115.07567	3.4
115.38645	1.4
116.07128	2.5
116.98617	2.0
119.08586	6.6
120.08092	1.2
121.06494	1.8
121.10139	2.8
123.11704	1.4
124.07587	4.0
125.07105	3.1
125.07935	3.1
126.59533	1.8
127.03942	3.1
133.10110	3.1
134.99611	1.5
137.05972	4.8
137.07954	2.9
137.09598	1.8
137.78497	1.3
145.10165	2.2
145.69148	1.3
147.04439	2.9
147.54933	1.4
154.08632	14.0
155.06882	7.0
155.08975	18.8
155.30307	1.4
155.45190	1.5
161.09647	1.8
171.07722	1.7
185.04260	8.6
188.12875	2.0
200.18291	2.2
203.05292	4.7
228.17915	2.0
243.13866	1.7
275.20071	1.8
299.10538	3.2
299.20123	1.8
304.84662	1.7
306.47479	1.3
317.12042	100.0
317.14999	5.2
317.21008	10.1
318.12799	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	317.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.96560	0.3
57.07053	1.3
60.04512	0.7
67.05505	1.7
69.07050	0.9
69.95761	0.9
69.96178	0.8
70.06586	1.5
71.08621	0.6
79.05466	0.5
81.07052	1.5
83.08593	0.4
85.06517	0.3
85.10162	0.3
88.07639	1.9
89.08034	0.3
91.05450	1.0
93.07027	0.7
95.08598	1.8
97.06500	0.3
98.21429	0.6
102.09177	0.6
105.07000	1.0
106.08681	1.7
107.08588	0.8
109.10142	1.3
111.99036	0.3
119.08570	1.2
121.10158	0.5
131.08511	0.5
133.10123	0.9
135.08044	0.3
135.11700	0.3
135.13759	0.3
137.09583	0.6
143.08557	0.3
145.10115	0.5
147.11711	0.4
148.33388	0.3
171.11633	0.4
172.95186	0.5
173.13297	0.4
183.04506	0.4
239.08614	0.3
244.44034	0.3
255.08090	4.0
256.08508	0.5
257.09567	1.1
258.06845	0.9
259.07608	1.0
266.47198	0.3
271.07541	2.5
273.09131	4.7
274.09842	0.5
283.07410	0.6
284.08325	1.8
285.09061	4.1
286.06265	9.5
286.09506	0.8
287.06998	2.3
298.31061	0.7
299.20010	0.9
299.31442	0.5
301.08578	86.7
302.08994	3.4
316.32092	9.2
317.11710	100.0
317.20712	2.0
317.32422	8.4
318.12024	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	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.16224	0.3
55.05503	0.8
57.03413	0.4
65.03935	0.5
67.05474	0.7
68.99787	0.5
69.03432	0.7
70.18036	1.6
71.04996	2.4
81.03431	0.6
81.07039	0.6
83.04963	1.0
84.08125	0.3
84.77258	0.4
85.02921	2.9
86.09711	0.5
91.05482	0.6
92.02627	3.1
93.03409	2.4
93.07050	0.8
95.04954	0.6
95.08607	0.7
97.02876	1.4
99.04424	0.4
107.05006	0.3
107.08598	0.9
109.02918	0.6
109.10131	0.8
111.00828	0.3
111.04451	0.7
117.07068	0.4
119.08627	0.5
121.02895	2.5
121.06521	0.3
123.08102	0.5
126.03130	1.2
127.03917	0.4
129.05478	0.5
129.06973	0.3
133.06435	0.3
133.10146	0.5
135.08078	0.3
135.11681	0.3
137.02310	0.8
137.05937	0.6
137.09628	0.5
139.03903	1.3
143.08522	0.4
151.03888	1.4
153.01834	14.8
155.04857	0.4
163.03867	0.6
165.01788	1.1
170.02037	0.4
177.05394	0.5
179.03421	0.4
183.02853	0.4
183.04364	0.4
187.04025	0.4
191.03433	0.4
191.60294	0.3
200.04678	0.4
201.05457	1.6
201.12695	0.3
203.03391	1.1
215.03397	0.4
217.04961	2.8
218.05707	0.8
219.02831	0.8
228.04175	3.6
229.04959	6.5
231.02873	0.9
232.03767	0.4
233.04578	0.4
245.04399	3.3
246.05223	3.0
248.12827	0.8
256.03726	0.7
257.04446	4.4
260.03067	0.6
261.03894	0.5
261.07587	0.6
273.03958	3.2
274.04712	6.0
284.03348	0.8
285.03928	6.3
287.01691	0.3
289.03421	1.5
301.03586	0.4
302.04211	19.3
303.04913	1.7
317.03317	3.8
317.06549	100.0
318.03702	0.5
318.06921	2.6
338.74384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.1
55.01860	0.1
55.05519	0.4
56.96585	0.2
57.03441	0.5
65.03931	0.6
65.26324	0.1
67.01888	0.2
67.05503	1.0
68.99801	0.4
69.03430	0.4
69.07072	0.7
70.06594	1.4
71.04993	0.3
71.59554	0.2
74.06085	0.2
79.05498	0.7
81.03434	0.2
81.07058	1.2
83.04962	0.3
85.02917	0.2
85.06533	0.2
86.09721	0.4
91.05482	1.2
92.02620	2.3
93.03414	2.2
93.07060	1.1
94.04218	0.2
95.04971	0.4
95.08600	0.9
97.06546	0.4
98.47208	0.1
103.05453	0.2
105.07034	1.4
107.04957	0.3
107.08597	1.1
109.02891	0.6
109.06522	0.4
109.10160	0.9
111.00829	0.3
111.04466	0.2
111.08131	0.2
116.98637	0.2
117.07037	0.3
119.08581	1.0
120.08124	0.8
121.02872	1.9
121.06553	0.3
121.10136	0.6
123.04440	0.3
123.08086	0.4
123.11700	0.3
124.05259	0.2
125.09650	0.3
126.03130	1.0
127.08726	0.1
128.06339	0.1
129.07071	0.1
131.04964	0.2
131.08604	0.5
133.02834	0.2
133.10136	1.7
135.04439	0.2
135.08076	0.3
135.11745	0.2
137.02373	0.4
137.06006	0.4
137.09700	0.4
137.13278	0.2
139.03915	1.4
143.08618	0.3
145.06546	0.2
145.10146	0.4
147.04408	0.3
147.08032	0.1
147.11700	0.4
149.09592	0.3
150.03090	0.2
151.03893	1.1
151.05000	0.2
151.07475	0.1
151.11136	0.7
153.01830	14.7
154.02347	0.2
157.10115	0.3
159.07990	0.1
159.11710	0.4
161.06004	0.2
161.09639	0.6
161.13306	0.3
163.03922	0.4
165.01846	1.0
165.09074	0.2
166.02615	0.3
166.08699	0.4
170.02119	0.2
171.11690	0.2
173.06029	0.5
175.14816	0.2
177.05507	0.5
179.03453	0.2
179.10695	0.3
183.02928	0.4
183.04411	0.2
183.11783	0.1
185.13275	0.3
187.03908	0.1
187.14874	0.2
189.12773	0.2
189.16376	0.1
190.06398	0.2
197.11748	0.2
200.04691	0.6
201.05470	1.4
203.03383	1.2
203.14301	0.3
204.04193	0.2
204.10014	0.2
211.14813	0.1
215.03452	0.2
215.12778	0.4
217.04967	2.2
218.05746	1.3
219.02869	0.4
221.42659	0.2
228.04179	3.1
229.04962	6.2
229.15572	0.4
230.05438	0.2
231.02928	1.0
233.04559	0.2
239.07030	0.2
243.06439	0.3
245.04456	3.1
245.39844	0.1
246.05228	3.0
252.61003	0.3
256.03735	0.5
257.04428	3.9
258.04990	0.2
259.02271	0.2
260.03162	0.8
261.07596	0.3
271.06055	0.4
271.20572	0.2
273.03943	3.1
274.04730	6.6
281.18942	0.2
284.03177	0.7
285.03946	7.1
286.04617	0.3
287.01953	0.2
288.06268	0.2
299.05658	0.2
299.20102	0.6
301.03363	0.4
302.04218	19.3
303.04623	0.4
317.06561	100.0
318.06888	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	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01876	0.4
55.05508	0.4
56.96553	0.3
64.37049	0.3
65.03928	0.8
67.05490	1.0
68.99776	0.5
69.03416	0.7
69.07050	0.4
69.60368	1.9
70.06569	0.6
71.04974	0.4
79.05487	0.6
81.03408	0.6
81.07046	1.0
85.02890	0.9
85.06526	0.5
91.05505	1.1
92.02628	2.6
93.03413	2.6
93.07038	1.1
95.04978	0.7
95.08607	1.2
96.45592	0.3
97.02903	0.4
97.06525	0.7
98.20787	0.5
98.97590	0.3
105.07027	1.3
106.07290	0.3
107.04986	0.3
107.08561	1.3
109.02877	0.7
109.06454	0.4
109.10151	0.9
110.00222	0.2
111.00797	0.4
111.04446	0.5
116.98559	0.5
119.08580	1.3
121.02839	1.7
121.06480	0.5
121.10143	0.5
123.08106	0.3
126.03146	0.7
131.08562	0.5
133.10112	0.7
135.08061	0.4
137.02342	0.6
137.06027	0.6
137.09602	0.5
139.03905	1.3
143.08534	0.3
145.06482	0.4
145.10138	0.9
146.99666	0.4
147.11652	0.5
151.03911	1.6
153.01834	15.7
159.11609	0.4
161.09666	0.4
161.13193	0.3
163.03963	0.4
165.01825	1.0
166.02489	0.4
167.08624	0.3
170.02039	0.3
170.10899	0.3
173.13286	0.4
177.05479	0.6
177.09187	0.3
183.04390	0.3
183.11685	0.4
187.11252	0.3
187.14917	0.3
197.13287	0.4
200.04654	0.8
201.05498	1.7
203.03325	1.6
203.14276	0.2
217.04997	2.4
218.05786	1.2
219.02858	0.4
228.04207	3.4
229.04948	7.0
230.05534	0.4
231.02885	1.0
239.07141	0.3
245.04497	3.6
246.05231	2.8
248.12848	0.6
256.03665	0.5
257.04446	4.5
260.03168	0.9
261.07587	0.4
271.06058	0.4
271.20566	0.5
273.03909	3.5
274.04739	6.3
284.03214	0.8
285.03949	7.4
299.20032	1.3
301.03256	0.3
302.04224	20.7
303.04468	0.8
317.06561	100.0
317.21161	2.3
318.06955	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05499	0.4
56.96542	0.3
57.03413	0.3
57.86613	0.2
61.02946	0.2
61.10548	0.2
65.03934	0.6
67.05518	0.4
68.99799	0.4
69.03403	0.3
70.06574	0.5
70.55173	0.6
71.04978	0.7
79.05481	0.4
79.89091	0.2
81.03398	0.2
81.07037	0.5
83.04947	0.4
84.08107	0.2
85.02889	0.7
85.06508	0.2
86.09700	0.2
91.05470	0.3
92.02635	2.2
93.03398	2.1
93.07037	0.3
94.04131	0.2
95.04983	0.3
95.08613	0.3
97.02889	0.2
97.06532	0.2
98.97592	0.4
105.07018	0.5
107.04961	0.3
107.08605	0.5
109.02878	0.4
109.06518	0.3
109.10155	0.3
111.00759	0.4
116.98629	0.2
117.07030	0.2
119.08558	0.5
120.02032	0.2
120.08123	0.2
121.02872	2.0
121.10116	0.2
123.08051	0.2
123.11729	0.2
126.03127	0.9
127.03895	0.2
129.05479	0.2
131.08575	0.4
133.10124	0.4
137.02345	0.5
137.05966	0.3
139.03908	1.4
145.06511	0.2
145.10196	0.3
147.04395	0.2
150.03123	0.3
151.03889	1.5
153.01828	13.6
155.05003	0.3
159.11702	0.3
161.06052	0.3
163.03943	0.5
165.01846	0.9
166.02536	0.2
170.02086	0.2
173.06046	0.2
177.05545	0.4
179.03464	0.3
183.02850	0.4
183.04321	0.2
187.03992	0.2
189.05402	0.2
200.04660	0.4
201.05533	1.4
203.03471	1.2
204.04102	0.3
215.07051	0.2
217.04965	2.2
218.05818	0.9
219.02882	0.5
228.04182	3.3
229.04962	5.7
231.02904	0.7
232.03641	0.2
239.03450	0.2
241.04671	0.2
243.06358	0.3
245.04488	3.0
246.05255	3.0
248.12628	0.2
253.03676	0.6
255.17867	0.6
256.03696	0.6
257.04449	3.7
258.05267	0.2
260.03177	0.6
261.07632	0.4
271.06143	0.6
273.03949	3.1
274.04715	7.0
281.19067	0.2
284.03204	0.8
285.03934	6.8
286.04370	0.3
287.02539	0.2
287.05325	1.0
288.06140	0.4
299.20364	0.6
301.03561	0.3
302.04227	18.6
303.04614	0.5
317.06561	100.0
317.20944	0.9
318.06912	3.6
326.06870	0.3
330.79489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.9
55.05513	22.2
56.96552	11.7
57.03437	11.5
61.02931	11.2
63.36632	5.0
63.48216	4.5
67.05519	7.8
69.03428	34.2
69.07079	10.0
70.06588	14.9
71.05016	7.9
71.56827	8.9
72.08155	70.1
73.02930	11.3
73.06541	10.0
79.03053	4.4
79.05482	5.4
81.03413	9.3
81.07054	12.8
84.04479	9.8
84.08154	35.3
85.02908	64.3
86.09717	44.3
91.05471	11.1
93.07044	13.6
95.08607	12.5
97.02889	30.1
97.06515	6.7
98.03187	4.7
98.97578	29.8
99.04449	10.1
101.07172	8.8
101.64340	5.3
103.02518	5.1
105.07021	10.1
107.04952	16.7
107.08589	16.1
107.27626	4.2
109.10148	11.0
111.04468	11.7
115.03886	6.0
116.98624	26.8
119.01913	36.2
119.04955	5.8
119.08588	12.0
121.06507	6.3
121.10114	6.5
121.47666	4.7
125.03580	5.5
127.03904	21.0
128.98651	6.9
129.10251	18.8
130.04997	11.8
131.01894	7.2
131.08594	5.1
132.00842	4.9
133.03554	5.4
133.05011	6.3
133.06007	11.8
133.10118	10.4
134.99667	18.3
135.08034	5.9
136.06172	8.4
137.02855	5.1
137.05960	20.8
138.05432	6.9
143.01897	10.5
143.11798	6.1
145.03555	5.3
145.04974	7.3
145.10129	7.4
146.99657	10.4
147.03311	7.4
147.07707	8.5
147.11621	8.6
150.05492	5.8
151.11165	5.3
153.04086	5.9
153.05342	4.6
154.08612	6.9
155.04597	52.6
155.08217	6.5
157.13387	8.8
158.99664	13.4
159.11671	6.6
161.01089	4.8
161.02914	18.6
164.05190	30.7
165.04369	9.7
166.55573	6.3
171.11435	6.2
172.95233	10.1
173.02867	7.0
173.06493	6.6
177.00681	24.4
185.12964	4.6
187.11018	7.8
189.00662	8.7
189.02364	4.6
189.04341	6.1
189.12471	10.1
190.96295	13.2
191.04010	5.7
191.05754	8.3
197.13242	5.2
202.29930	4.8
214.96373	12.4
215.07578	10.1
219.01849	6.8
227.06766	100.0
227.56960	12.6
228.13342	5.4
232.77998	5.5
236.07303	74.2
236.57420	8.9
237.02769	12.2
239.08971	5.5
247.58124	8.7
257.01611	5.2
267.08475	9.2
285.09540	7.3
299.19983	15.1
309.08511	22.8
317.06326	97.1
317.11734	38.4
317.18338	11.5
317.21564	44.5
335.12076	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	316.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.05514	1.7
56.96556	1.5
57.03448	0.7
59.48230	0.6
67.05511	2.9
69.03422	2.2
69.07066	3.6
69.43350	5.8
70.06580	1.2
71.04990	1.3
80.05000	0.8
81.03426	1.7
81.07059	4.4
83.04982	1.0
83.42279	0.6
85.02894	2.9
85.06512	0.6
86.09695	1.9
91.05484	7.6
93.07044	10.4
95.04984	3.5
95.08611	3.8
96.08119	1.5
97.02892	2.2
97.06557	4.5
98.06079	0.9
98.09670	0.7
98.97614	1.0
103.05471	3.5
105.07014	3.0
106.06630	0.6
107.04955	1.8
107.08576	3.3
108.08077	0.7
109.02851	0.9
109.06530	1.4
109.10160	2.9
110.09697	1.6
111.08080	0.7
116.98653	1.6
119.04908	0.9
119.08587	2.9
121.06505	81.3
121.10078	2.9
122.06815	1.3
123.08032	1.0
123.11707	0.8
124.03909	0.9
127.03889	1.5
128.98622	0.7
129.07117	0.7
130.07785	0.6
131.08565	1.1
133.10136	2.1
135.08044	1.3
135.11670	1.5
136.11218	1.7
137.05949	3.3
137.09567	1.4
143.08502	0.8
145.10110	1.9
147.04382	2.1
147.08076	0.9
147.11667	1.2
148.04741	0.8
149.09624	1.8
150.12747	1.2
151.07509	0.8
152.14343	32.1
153.14667	1.1
157.10101	1.2
159.08112	0.8
159.11707	1.1
161.01199	1.0
161.09642	1.3
161.13181	0.8
163.03897	0.8
163.11145	0.9
165.09155	0.9
169.10121	0.7
171.11630	0.7
175.11311	0.8
176.10597	0.7
177.09160	0.8
187.14816	0.9
189.09177	0.8
192.33484	0.7
196.16985	1.6
200.10670	1.6
200.12733	1.1
215.07123	0.7
218.11771	3.7
218.15465	1.3
219.04974	1.1
232.09543	2.3
242.15445	1.1
243.60432	1.7
259.09747	1.0
272.20090	93.4
273.20502	3.4
281.18695	0.7
299.19946	2.2
302.04462	0.8
307.67145	0.8
316.22702	100.0
317.06531	3.5
317.14218	1.0
317.20963	3.3
317.23141	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	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03426	0.6
61.02913	1.3
69.03413	3.0
70.06574	0.5
71.56522	0.4
71.58212	0.4
73.02909	0.7
81.03413	1.1
84.08136	0.6
85.02902	9.6
91.03960	0.4
91.05481	12.3
96.10135	0.4
97.02898	2.9
97.43887	0.4
98.31505	0.4
109.02891	0.7
109.06504	1.0
114.76511	0.4
119.04929	9.7
120.75395	0.5
127.03947	2.2
133.06482	0.5
136.07582	1.6
136.93964	0.5
137.05975	100.0
138.06337	1.5
145.04944	1.5
154.08627	24.9
155.08997	0.5
161.02989	0.4
164.07040	0.4
173.02914	0.4
316.08429	0.7
316.13937	7.8
317.06369	3.7
327.87869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01857	0.7
55.05515	0.9
56.96548	1.4
57.03419	1.6
61.01151	0.7
61.02903	2.3
61.52840	0.7
62.78502	0.7
67.05492	0.7
69.03432	5.0
69.07079	3.8
70.06571	1.9
71.58639	1.4
71.59003	0.7
72.08144	2.9
73.02905	1.1
73.06524	0.8
79.05479	1.3
81.03401	1.9
81.07037	2.1
83.04979	1.0
84.08141	1.3
85.02911	9.1
86.09708	20.7
91.05501	3.5
93.07030	3.0
93.31685	0.8
94.06583	1.1
95.04939	1.5
96.08133	13.0
97.02894	6.8
98.03227	0.8
98.97565	1.7
99.04456	0.9
107.04910	0.8
108.08115	7.0
109.02895	1.7
109.06538	0.8
109.90843	0.7
110.06036	5.4
111.04399	0.8
116.07111	3.1
116.98604	1.6
119.08588	1.3
119.91045	0.7
121.06576	0.8
123.04454	0.8
124.07590	21.3
126.05557	0.9
127.03913	3.1
136.06186	8.6
136.07576	13.3
137.05952	5.8
138.09126	1.1
145.05000	1.5
154.08632	100.0
161.05995	0.8
163.67702	0.7
166.08702	2.1
171.14857	0.9
173.12944	1.0
177.00668	1.3
199.18034	5.9
200.29279	0.8
203.13980	1.1
219.01938	0.9
227.17490	3.2
245.27461	0.8
253.08585	0.9
270.11304	1.0
280.11664	0.7
316.08209	1.1
316.14529	3.9
316.18878	1.5
317.11874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29417	0.3
55.05500	1.2
56.05013	0.4
60.04516	1.4
60.05669	0.3
65.03915	0.6
67.05505	0.6
69.03436	0.9
69.07074	0.5
70.06580	0.8
70.12325	1.9
72.08163	0.8
79.05474	1.1
81.03394	1.1
81.07056	2.3
83.04978	0.6
83.08601	0.4
84.04486	0.5
85.02883	0.8
86.09686	1.3
91.05482	1.2
93.07047	0.9
95.04964	0.5
95.08580	0.8
95.48348	0.3
97.05283	0.4
98.06070	0.5
98.09713	0.7
98.97565	0.7
105.07022	0.7
106.05083	0.9
107.04974	0.6
107.08597	0.6
108.08134	0.8
109.06507	1.7
110.06029	1.0
111.06841	0.6
119.08559	0.4
121.06493	1.1
121.10184	0.5
123.08041	0.5
126.09158	0.9
129.06998	0.4
131.08566	0.5
137.05962	2.1
138.09126	0.7
139.06317	0.9
143.08621	0.5
149.09616	0.8
154.08632	100.0
155.08975	1.3
157.07654	0.5
161.01294	0.4
177.09105	0.5
179.07079	0.5
193.12277	0.9
195.10217	1.1
207.08109	1.0
211.13324	1.4
226.14307	0.4
235.07558	0.7
244.15376	0.4
253.08644	1.2
270.11420	1.4
272.15030	0.4
280.15964	0.4
298.20114	0.4
299.09705	0.5
316.08417	0.9
316.12064	3.3
316.14932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2683
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
53.75945	1.7
54.55968	1.5
55.05512	14.0
57.03429	1.8
57.07061	5.0
58.94552	1.6
67.05238	1.5
67.05508	16.4
69.07070	14.4
71.04977	1.9
71.08601	3.0
79.05496	10.7
81.06587	3.2
81.07059	60.0
83.08618	8.4
85.06555	18.1
91.05468	12.3
93.07054	26.7
95.08605	45.2
97.06510	4.2
97.10150	3.9
105.07027	29.7
107.08598	30.5
109.10162	20.1
111.08087	2.3
117.06986	11.5
119.08590	30.6
121.10146	27.9
123.08172	2.1
123.11689	5.7
125.09578	1.8
129.07028	2.9
131.08568	21.2
133.10144	13.6
133.81729	1.6
135.11662	15.1
137.13225	2.6
141.35394	1.7
143.08531	4.6
144.09352	4.3
145.09055	3.5
145.10130	55.0
147.11713	15.6
149.13263	27.6
153.12697	1.8
157.10120	12.2
159.11700	100.0
160.12166	1.7
161.13281	14.8
162.40665	1.7
163.14821	8.9
171.11670	4.0
173.13248	23.4
175.14832	6.9
185.13254	3.6
187.14825	17.4
189.16396	13.1
191.17879	2.2
199.14789	7.5
201.16389	14.7
203.17964	6.7
210.12193	1.7
213.16417	13.6
215.17969	26.4
217.19530	8.3
227.17940	3.6
241.19496	6.4
245.90454	2.1
256.38776	1.8
269.89771	2.2
271.24136	2.3
297.25821	30.5
315.14066	3.9
315.26807	72.9
315.37375	2.4
315.82611	2.0
316.27191	2.8
338.21317	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55749	0.8
55.01865	1.0
56.96555	1.9
61.79910	0.8
67.05485	1.3
69.03416	2.5
69.07068	1.5
69.76907	5.9
70.06582	2.9
79.05501	1.4
81.03416	1.8
85.02907	2.8
86.09711	1.2
89.03912	1.8
91.05483	2.0
92.61413	0.8
93.07044	1.1
95.04970	1.4
97.02882	1.5
98.97585	2.8
107.04949	2.4
109.02831	0.8
110.06013	2.0
115.05458	0.8
116.98617	3.4
117.03407	1.5
119.04909	1.3
123.04444	1.8
127.03959	1.5
134.99677	1.8
135.04402	4.6
137.05998	2.6
143.01924	0.8
145.02846	2.5
145.06418	1.3
147.04384	2.1
150.05498	1.1
151.03864	1.4
153.05374	2.6
163.03906	14.1
165.00726	1.4
173.09607	3.4
177.00731	1.7
185.04277	1.6
195.01791	1.0
201.09120	3.3
203.05301	1.6
228.10172	2.3
257.08163	1.8
265.02328	1.2
267.03668	0.9
297.15790	1.4
299.09204	2.2
305.86493	0.8
315.10513	100.0
315.16983	10.6
316.10892	3.1
321.05026	2.3
333.04932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1964
Annotation	Heliotrine
Peak:m/z	Relative Intensity
52.84592	0.4
55.01877	6.0
55.05515	7.3
56.05025	1.2
56.96552	0.5
67.05512	3.8
68.05017	1.6
69.03421	1.4
69.07076	1.1
70.02944	1.3
70.06595	16.5
70.86286	1.2
71.04995	14.4
79.05489	3.4
80.05001	1.2
81.03429	1.1
81.07065	3.4
82.06572	0.5
83.04974	1.3
83.08617	4.0
84.08055	0.4
86.06062	5.5
91.05485	1.3
93.07042	1.8
94.06592	1.0
95.04962	1.2
95.08602	1.4
96.04478	1.2
96.08132	22.4
97.05196	0.4
97.06559	0.8
97.10174	8.3
98.06057	1.2
98.09093	0.9
98.09695	11.6
105.07023	1.2
106.06535	1.3
107.04966	0.7
107.08585	2.9
108.08115	4.0
109.06487	0.6
109.10138	1.1
111.04438	0.6
111.08039	0.6
112.07611	0.8
116.98573	0.6
119.08587	1.2
119.25989	0.5
120.08096	1.2
121.06549	0.5
121.08888	0.6
121.10159	0.7
122.06042	8.5
123.08030	0.7
124.03873	0.5
124.07578	3.5
125.08333	0.9
125.08819	0.4
125.09638	4.2
126.09144	0.6
131.08595	0.5
135.08017	0.7
136.07536	0.6
137.05963	0.8
140.07085	6.7
142.05023	1.1
145.10107	0.8
147.04341	0.5
147.11716	0.8
148.07588	0.7
151.03912	0.6
152.04251	0.5
152.07079	0.9
162.09109	0.5
163.11218	0.8
166.08589	1.0
175.11243	0.6
180.13913	0.8
189.11267	0.6
193.12437	0.5
198.14949	0.5
209.11742	0.8
211.60489	0.4
222.18503	1.0
226.07350	0.5
232.16953	2.5
233.63419	0.5
242.15416	0.6
250.18050	16.1
250.20737	0.8
260.16464	4.6
268.19092	2.7
278.17535	15.3
296.18573	100.0
297.19009	2.3
298.10892	1.0
299.11365	0.7
314.13828	2.0
314.19760	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	314.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73096	0.5
55.05493	0.7
56.05027	0.6
56.93101	0.5
56.96558	1.1
57.03433	1.3
61.01126	0.6
67.05506	0.6
69.03431	3.8
69.07048	0.6
70.06577	2.1
70.48419	1.2
71.04987	0.6
73.02914	0.6
81.03414	1.0
81.07047	0.8
84.08162	0.8
85.02898	3.0
89.06039	1.3
91.05464	0.6
93.18562	0.5
97.02889	42.8
98.06136	0.5
98.09659	0.7
99.04449	0.7
108.08076	1.1
109.02891	0.9
116.07099	0.9
117.05518	0.6
119.03442	1.5
125.78546	0.6
127.03922	1.3
135.05424	0.9
135.06535	1.5
136.06183	100.0
137.04610	0.8
137.05893	1.4
143.01627	1.1
149.98619	0.6
150.05531	1.9
152.07077	1.6
161.02654	1.3
162.55075	0.6
164.05672	4.4
176.07117	0.9
177.00748	0.8
178.07254	2.3
179.03714	1.8
197.05872	0.6
219.66264	0.5
233.08687	0.9
250.09096	0.7
278.07263	0.6
296.08237	3.4
296.11057	0.6
297.09760	0.7
298.10574	0.9
313.27448	0.7
314.09073	10.8
314.12372	1.6
314.18576	0.7
315.09891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.05531	6.4
56.96575	10.7
57.07085	7.3
59.77599	5.9
67.05493	22.0
69.04429	6.0
69.07057	19.0
70.82855	11.5
70.83190	13.3
71.08634	18.5
78.15966	5.7
79.05492	15.1
81.03444	8.1
81.07066	19.9
83.08611	10.6
91.05482	10.9
93.07041	16.6
95.04996	14.3
95.08631	36.2
97.06499	7.6
98.85054	6.7
99.08144	7.5
101.77219	5.7
105.07050	10.0
107.04926	6.9
107.08628	14.2
109.10161	17.2
119.08589	15.0
127.11228	6.9
131.08583	8.8
133.10066	6.2
135.11681	7.7
137.09630	8.3
145.10124	6.3
147.11650	6.0
151.07500	7.5
151.11188	9.8
157.06549	6.4
211.14861	6.9
277.21640	36.0
291.12857	11.0
295.22705	100.0
296.23154	10.5
298.10764	27.9
299.11569	16.3
313.11139	7.1
313.18091	10.9
313.21533	12.6
313.27698	15.8
314.13937	69.1
331.15625	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88530	0.7
55.05509	6.0
57.03437	15.2
57.07077	42.3
67.05180	0.6
67.05509	9.0
69.07069	7.5
70.18706	1.1
70.19102	1.2
71.05003	0.8
71.08634	27.8
75.26551	0.6
79.05479	0.9
81.07060	11.1
83.04959	0.6
83.08625	8.9
85.06543	1.1
85.10183	15.4
88.17559	0.4
89.06026	2.9
91.05479	0.6
93.07026	1.4
95.08608	14.7
97.10178	4.3
98.21399	0.9
99.11705	1.0
103.07576	1.6
103.24945	0.5
108.55737	0.4
109.10162	7.3
111.11686	0.8
113.13245	0.7
117.09151	0.6
123.11702	3.0
125.13268	0.6
131.10727	0.5
133.77165	0.5
137.13242	1.4
146.14639	0.5
151.14828	0.7
161.36810	0.5
167.12509	0.5
221.43646	0.5
239.23714	3.3
257.24756	4.2
258.24918	0.5
282.52408	0.5
298.27469	1.0
307.92084	0.5
313.27377	100.0
314.13763	1.5
314.27731	3.8
318.09464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	15.3
55.05511	9.0
57.03442	2.0
57.07074	2.2
60.59029	0.8
63.32765	0.8
67.05505	17.3
68.05035	2.7
68.05836	0.8
69.03440	1.4
69.07067	8.3
70.06587	4.8
71.04988	1.4
71.08625	7.8
71.58727	1.3
79.05495	9.3
80.05020	4.8
81.03419	1.7
81.07059	16.0
82.06613	1.1
83.04542	0.8
83.04958	4.1
83.08617	5.4
85.02935	0.8
85.06544	2.2
85.10200	1.3
91.05486	6.7
93.07044	11.9
94.06591	4.1
95.04966	2.7
95.07345	5.1
95.08603	12.2
96.08138	3.2
97.06516	5.4
97.10147	3.9
99.08096	4.0
105.07033	5.6
106.06566	7.7
107.04950	0.9
107.08584	4.3
108.08131	4.3
109.06538	1.1
109.10129	6.0
111.08087	3.2
113.09637	0.8
117.07018	1.4
118.06543	2.3
119.08576	5.4
120.08122	2.5
121.08896	1.9
121.10145	5.1
122.06031	23.0
122.06904	1.6
123.08087	2.2
123.11737	1.8
125.09630	1.6
131.08549	2.0
132.08107	1.5
133.10129	5.1
134.09671	1.1
135.11697	3.4
136.07608	2.2
137.05994	0.9
137.09607	1.4
137.31963	0.8
139.11142	4.0
143.08559	1.4
145.10159	1.3
147.11696	4.7
149.09642	2.0
149.13252	4.3
150.09135	1.6
151.03879	4.1
151.07500	1.3
151.11201	3.4
153.12779	1.0
157.10081	1.0
159.11671	1.2
161.13275	3.0
163.11215	1.6
163.14967	0.9
165.12784	4.8
165.16832	0.8
171.04512	0.9
173.11754	1.9
173.13222	0.9
175.11214	1.5
175.14787	0.9
179.14316	2.5
181.12315	0.8
185.13214	0.8
195.13774	2.1
204.17522	3.2
213.14809	1.4
231.21146	1.2
232.16980	16.5
241.12357	0.9
241.19585	2.2
249.22026	1.0
250.18167	3.5
259.20575	2.5
260.16443	1.4
268.14594	5.8
270.08020	0.8
277.21634	17.5
278.17535	1.3
295.22690	10.2
296.14114	36.7
298.10889	1.2
299.11572	1.2
313.14401	1.1
314.15173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70388	0.4
53.03939	1.7
55.01865	0.8
55.05490	0.3
57.03430	1.3
60.10916	0.4
60.21585	0.4
60.93867	0.4
63.49469	0.4
65.03930	2.6
67.05492	2.0
69.03135	0.4
69.03432	4.1
70.06563	0.5
70.93333	1.0
71.04990	1.0
75.86191	0.4
81.03418	10.6
85.02899	5.4
91.05455	0.5
93.03387	1.8
93.07034	0.6
95.04961	1.3
95.08624	0.7
97.02876	2.1
97.06526	0.6
99.04462	0.9
103.34486	0.4
105.07014	0.5
107.08562	0.5
108.02091	1.1
109.02883	5.7
111.04459	5.4
120.08104	3.7
121.02812	0.4
125.05990	3.1
127.03894	2.2
136.01532	0.5
141.05449	2.8
151.03905	100.0
151.04984	6.3
152.04248	1.0
162.06903	0.5
169.04982	6.0
201.43748	0.4
210.08296	0.6
215.34996	0.4
256.14096	0.4
295.08148	9.5
313.07233	2.0
313.12143	0.9
313.15390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1805
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
50.40964	1.0
55.01884	1.1
55.92664	0.9
56.96553	1.7
57.03410	1.2
61.02926	5.2
65.64902	0.8
69.03413	2.7
69.07047	2.1
70.06590	3.2
71.01743	0.8
71.58065	1.2
71.58434	1.0
71.85342	1.0
72.04508	1.3
72.08145	1.2
79.05466	1.4
80.05015	1.3
81.03385	1.9
81.07050	1.0
84.08122	3.1
85.02896	2.7
86.06055	1.4
89.06084	1.0
91.05455	3.5
93.07074	1.2
97.02918	1.0
98.06037	1.0
98.97594	1.4
105.07030	2.6
107.08575	2.0
109.02880	1.6
111.04417	1.2
115.07539	2.2
117.07035	1.8
119.08554	2.3
121.06487	1.1
121.10088	1.5
123.04406	4.6
127.03934	2.1
128.57487	0.9
129.06995	2.6
131.07281	0.8
131.07635	0.9
131.08557	7.0
131.51639	0.9
132.08122	1.6
133.10129	1.2
135.07877	0.9
136.07629	1.2
136.11020	1.0
137.05974	2.7
139.03873	1.4
140.06998	1.9
142.07727	1.1
144.52165	1.0
145.10103	2.8
147.04346	1.7
147.08081	1.7
147.11528	1.1
149.09608	5.0
150.05473	3.5
150.68956	1.1
151.03928	5.7
151.07521	2.0
157.10150	1.3
159.08067	4.9
161.06018	1.3
161.09653	2.0
162.05533	1.6
162.06735	1.2
163.11145	1.4
164.06888	1.2
165.09175	1.1
167.08498	1.2
168.06526	1.7
173.09601	3.1
174.12782	2.7
177.00635	1.2
177.09090	8.1
184.11247	1.4
185.01309	1.0
185.09688	1.1
187.07565	1.9
187.11203	1.7
189.09187	1.3
191.07053	1.5
191.10626	5.2
202.12297	2.8
208.35294	1.1
216.10207	1.6
216.13786	2.7
219.10106	3.7
230.11700	3.2
233.11757	1.1
237.11238	1.4
244.13336	5.5
248.12842	2.5
262.14429	8.1
267.04205	1.2
280.15430	11.0
294.13217	4.1
312.14587	7.5
312.18005	100.0
312.32486	1.8
313.18182	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	312.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01845	2.1
55.05526	1.6
56.96569	11.6
57.03428	4.0
59.04982	2.2
61.02939	8.0
67.05495	3.5
69.03423	12.3
69.07064	11.9
69.69836	1.4
70.06584	2.8
71.04994	2.3
71.25964	2.7
71.26276	1.7
73.02918	3.7
73.06551	2.1
79.05507	3.8
80.05019	12.4
80.53046	1.4
81.03419	8.9
81.07063	2.6
82.06572	2.8
83.04973	2.5
84.08123	3.8
85.02905	64.7
86.09698	2.6
87.04453	2.4
87.08094	4.3
88.03996	1.6
91.03943	5.7
91.05466	8.0
93.07037	3.7
94.06555	3.9
95.04950	2.3
95.08643	1.7
97.02892	14.5
97.06516	3.4
98.97588	3.9
99.04449	3.5
105.07008	3.2
106.06541	4.2
107.04963	2.1
108.08091	3.2
109.02869	5.8
115.05443	8.8
116.98589	2.0
117.05732	5.9
117.06979	3.6
118.06548	10.9
119.07309	2.7
120.08070	3.3
122.06007	4.9
123.04447	2.3
124.07585	2.6
124.99145	2.5
127.03917	20.0
129.06990	5.1
130.06508	14.0
131.04933	4.6
131.08582	2.6
132.04408	1.8
132.08084	40.6
133.06538	1.7
133.08638	2.8
134.09578	1.8
136.06161	5.3
137.05956	3.2
138.05569	1.7
139.03914	1.9
143.00143	13.4
144.04442	2.8
144.08075	2.2
145.04961	36.3
145.06230	2.0
145.06555	1.7
145.08818	1.6
145.09999	1.8
146.05965	2.5
146.09578	2.0
147.04375	2.2
149.05994	3.5
150.05478	4.3
150.09091	2.1
151.03934	11.9
154.06517	2.0
155.07295	6.2
156.08043	3.0
157.10103	3.6
158.09637	2.9
159.03284	2.2
159.08063	2.6
160.07599	2.6
161.01207	18.2
161.09596	2.1
162.05469	15.2
163.03902	3.8
163.06012	9.0
163.07329	2.7
167.08562	2.7
168.06625	2.0
168.07967	2.4
169.08804	7.5
170.09558	2.0
170.99652	2.1
174.12798	6.8
175.06268	9.0
175.07579	2.5
176.07036	1.9
176.10760	3.9
177.09059	2.9
179.02248	3.3
183.06715	2.3
184.11217	38.2
185.01208	2.1
185.11920	1.9
186.09093	4.1
187.07626	2.1
188.07034	2.0
189.00681	7.0
189.07886	4.5
190.08594	2.4
194.09692	2.7
202.12294	10.4
203.02283	2.9
204.10201	100.0
205.10570	4.8
210.05888	8.7
212.10698	27.4
225.05548	2.9
230.11746	4.7
231.01732	3.5
236.12830	9.1
243.06537	2.5
244.10776	2.9
244.13321	59.7
245.13762	2.7
249.02829	15.0
251.06941	1.8
262.14407	26.3
267.03946	22.5
267.06592	3.2
269.08151	2.4
271.05945	3.6
272.04434	7.3
276.12723	1.6
276.15891	2.3
285.04987	14.6
290.05435	8.8
294.16995	6.9
295.06055	4.8
303.05872	1.8
308.06284	2.7
312.08102	3.7
312.11401	3.1
312.18015	16.2
313.07184	12.5
313.11829	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	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01868	2.4
55.05502	1.8
56.96551	3.2
57.03440	5.1
61.02694	0.9
61.02932	10.4
69.03427	16.7
69.07072	11.2
70.06583	1.7
71.04979	3.0
71.41388	1.8
72.85188	1.0
73.02905	4.3
73.06541	2.2
79.05507	1.0
80.05019	1.8
81.03419	8.3
81.07073	1.9
82.49575	1.1
84.08136	6.2
85.02905	100.0
85.07670	4.9
86.09696	2.9
87.04443	2.5
87.08105	16.3
91.03944	6.7
91.05458	3.0
95.04989	1.3
97.02893	26.2
99.04460	4.1
105.09158	1.3
107.04961	1.2
109.02895	6.7
111.04487	1.5
115.05451	1.9
116.98596	1.8
118.06544	1.7
121.06505	2.4
124.08776	1.0
127.03921	27.1
129.10210	1.2
132.08054	5.6
133.08612	5.3
134.99623	1.3
136.07593	2.3
137.05971	1.2
143.00125	1.9
145.04956	45.3
147.04422	2.4
149.05989	1.3
150.05460	3.0
151.03894	12.6
151.66481	0.9
153.05428	1.2
161.01234	2.2
162.05486	3.8
163.03889	2.2
163.06003	13.6
168.06511	1.4
169.08841	1.6
174.05521	1.2
175.06277	1.9
177.00708	1.1
180.08571	1.1
184.11253	5.0
189.00710	1.4
190.08656	2.0
202.12274	2.0
203.09442	1.6
204.10204	18.0
212.10742	2.9
236.12817	2.0
244.13335	8.9
247.11877	1.0
249.02760	2.0
250.10744	4.5
262.14401	3.8
267.03812	1.4
279.14615	3.1
284.09320	1.2
312.14661	1.4
312.18002	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	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01860	3.1
55.05491	0.9
56.96559	3.4
57.03448	4.6
59.04987	1.3
61.02928	10.4
65.03919	1.1
67.05499	1.5
69.03429	17.3
69.07068	15.6
70.06588	1.3
71.04984	3.3
71.58801	2.0
72.03979	0.9
72.04471	0.8
73.02908	4.9
77.33779	0.8
79.05454	0.9
80.05019	8.5
81.03425	7.0
84.08129	1.2
85.02903	100.0
86.09702	1.0
87.04472	2.6
87.08104	6.2
91.03947	6.8
91.05464	2.3
92.74433	0.8
93.07037	1.3
94.06572	2.1
95.04993	1.4
97.02891	25.4
99.04440	3.7
103.05445	2.4
105.07067	2.0
105.09141	1.6
106.06557	2.3
108.08136	2.1
109.02866	6.6
110.05997	1.0
111.04447	1.9
115.03959	1.0
115.05468	6.1
117.05745	2.5
117.06985	1.7
118.06545	6.1
118.07299	1.1
119.07359	1.0
119.08575	1.0
120.08088	1.8
121.06528	1.3
122.06026	2.5
124.99098	0.9
127.03915	27.4
129.07016	1.7
130.06499	8.4
131.04893	3.0
132.08084	18.9
133.08617	4.5
134.06036	0.9
135.04433	1.0
137.06038	1.3
141.06927	1.1
143.00095	3.2
144.04314	0.9
144.08080	2.3
145.04962	46.9
146.09613	0.8
147.04448	1.7
148.07625	1.0
149.04919	0.9
149.05997	3.1
150.05423	1.7
151.03886	5.5
155.07283	2.5
156.08089	2.3
157.10126	2.0
158.09648	2.4
160.07562	1.2
160.11206	1.9
161.01263	6.1
161.05890	1.0
162.05479	12.0
162.09070	1.2
163.03934	1.2
163.06041	11.4
164.07108	1.2
167.08658	1.8
168.04831	1.1
168.06639	0.9
168.08089	1.7
169.08839	4.0
170.09694	1.4
174.12833	4.1
175.06294	7.2
176.07077	1.4
177.09099	1.2
180.08670	1.4
183.06822	1.2
183.29803	1.2
184.11211	17.9
185.01163	1.3
186.09074	1.2
187.07526	1.3
189.00722	1.9
189.07858	3.7
202.08595	1.0
202.12303	5.7
203.02267	1.1
204.10201	79.7
205.10539	1.0
210.05832	2.8
212.10713	10.9
218.11717	1.1
223.07616	0.9
225.34250	0.8
230.11790	3.4
234.14671	1.0
236.12814	6.3
244.13335	29.1
249.02850	3.9
262.14420	13.9
267.03922	7.4
272.04419	2.4
280.15280	1.2
285.04984	4.7
290.05478	4.3
294.17038	3.5
295.07367	0.9
295.13898	1.4
308.06641	1.3
312.08298	1.6
312.14621	1.1
312.18167	6.9
313.07208	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03940	1.7
55.01865	1.2
55.05515	38.8
57.03440	17.7
57.07078	20.7
67.05508	6.4
69.07071	44.6
69.79775	2.2
69.80202	1.8
71.08635	11.4
73.02899	0.7
73.06541	1.2
75.15551	0.6
79.05482	3.8
81.07056	8.8
83.04984	1.1
83.08622	37.9
85.10183	5.2
93.07055	4.8
95.08618	5.5
97.06532	4.0
97.10175	27.3
107.08597	3.9
109.10148	2.6
111.08061	1.3
111.11727	9.0
121.10154	4.9
123.11703	1.2
125.09630	1.0
125.13280	1.7
135.11676	3.9
139.11197	1.2
139.14833	0.7
149.13269	1.8
213.34337	0.5
219.21129	1.1
237.22211	1.2
311.25815	100.0
312.26141	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	311.2218
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.65643	1.4
51.31079	1.5
55.01878	4.2
55.05508	3.7
57.03448	1.9
57.07078	27.5
63.42043	1.3
67.05513	12.6
69.07079	7.9
70.77905	1.3
71.04967	2.4
71.08637	4.2
71.56159	1.9
79.05495	7.6
81.03429	3.9
81.07066	13.0
83.04984	9.4
83.08632	4.1
88.07644	2.0
88.36100	1.6
91.05489	6.4
91.36526	1.6
93.07037	8.6
95.05017	2.7
95.08613	15.5
97.02918	2.0
97.06543	3.0
97.10188	2.8
99.08113	3.0
105.07043	5.4
107.04961	3.3
107.08615	5.6
107.33211	1.6
109.02866	3.0
109.06532	2.5
109.10176	7.4
111.04454	21.2
111.08113	2.4
117.07076	2.5
119.08600	5.3
121.06538	2.3
121.10143	4.4
123.02479	1.5
123.08054	4.1
123.11677	1.7
125.06023	5.5
125.09603	3.1
131.08562	3.7
133.10139	4.4
135.04395	3.9
137.05966	1.8
137.09622	4.3
139.11180	2.0
145.10114	4.0
147.11725	2.2
149.02367	2.3
149.09592	3.1
151.11169	2.6
153.05504	18.2
155.10693	2.3
157.10162	2.7
161.09634	2.4
163.03882	1.6
163.11186	5.8
165.09177	1.7
167.10710	2.2
173.11746	4.5
181.04999	4.0
181.12242	8.1
187.07590	3.7
191.10692	13.4
193.05016	6.8
196.62485	2.2
209.11751	100.0
210.12059	4.9
224.65627	2.2
237.11237	87.4
238.11644	3.2
239.18025	1.7
239.22319	1.4
247.07784	1.6
255.12267	23.2
257.18979	2.1
275.20050	14.5
279.10187	1.6
293.17554	14.4
293.21118	7.7
311.12695	3.9
311.18597	8.4
311.24542	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01860	1.9
55.05272	0.6
55.05512	11.0
56.64133	0.5
57.07072	2.6
57.07310	0.5
65.03909	0.6
67.05505	7.3
67.69092	0.5
69.03414	1.3
69.07069	4.8
69.44311	5.1
71.08632	7.8
79.05499	3.8
81.03414	0.8
81.07057	6.7
83.04968	2.4
83.08620	5.5
85.06556	0.8
91.05439	2.6
93.07055	4.0
95.04969	3.0
95.08604	4.1
97.06487	0.9
97.10177	9.3
99.08120	4.6
99.19807	0.5
105.07027	2.5
107.04961	2.5
107.08598	4.7
109.06501	1.5
109.10160	1.9
111.04411	2.6
111.08067	1.1
117.07020	0.6
119.08584	1.6
121.06525	4.7
121.10146	2.0
123.08077	1.0
125.05931	0.7
125.09632	6.2
131.08545	0.7
133.10112	1.1
135.04437	0.8
135.08002	0.9
135.11716	0.8
139.11189	0.6
145.06505	0.5
145.10112	0.8
149.09584	0.8
149.13264	1.0
151.11189	1.4
153.05446	1.4
153.09071	0.7
163.11081	0.9
167.10698	0.6
169.10167	0.5
171.11606	0.7
177.12769	1.8
181.04915	0.6
181.12303	0.8
189.11200	3.6
191.10649	1.1
209.11736	11.2
228.96597	0.6
237.11232	9.6
247.20537	0.9
254.39870	0.6
255.12384	2.6
257.19196	1.2
275.20047	5.7
293.21109	100.0
294.21552	2.5
307.39752	0.5
311.12747	1.1
311.18881	0.8
311.25964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01627	6.0
55.01873	75.3
55.05512	51.5
57.03430	8.8
57.06788	3.9
57.07075	74.1
59.99123	4.6
65.03955	4.0
67.05172	4.9
67.05507	63.6
67.20750	3.5
67.89925	4.6
69.03415	5.5
69.07069	32.1
71.04982	9.6
71.08617	14.2
72.04476	6.8
79.05497	37.3
81.03404	12.0
81.07056	53.9
83.04971	17.0
83.08613	16.7
85.06538	8.3
88.02214	4.7
91.05479	34.6
93.07047	38.7
95.04958	16.8
95.08607	69.1
97.06546	7.6
97.10159	14.3
99.04469	4.1
99.08097	12.4
100.07613	9.6
105.07026	13.8
107.04942	22.3
107.08591	25.7
109.06490	12.4
109.10152	36.1
111.04414	16.5
116.05310	7.3
117.06997	13.5
118.32903	4.7
119.08603	26.0
121.06490	6.4
121.10143	24.5
123.08064	10.2
123.11657	5.6
125.05969	4.1
125.09628	100.0
131.08543	14.1
133.10115	13.3
134.77066	3.8
135.08018	12.5
135.11685	9.6
137.09578	23.9
139.11130	7.3
141.09132	3.8
143.08553	5.0
145.10115	16.8
147.08035	4.3
147.11620	5.0
147.44002	3.6
149.09605	10.0
149.13254	7.1
151.11166	27.8
153.05431	8.4
155.10660	11.6
156.13838	7.0
157.10062	4.3
159.11667	7.9
161.09605	4.6
163.11203	11.6
165.12779	4.5
167.10683	5.5
172.11601	5.5
173.13275	4.3
175.11310	5.1
177.12747	23.8
181.12212	11.6
183.11685	4.8
187.11072	5.2
191.10629	7.1
191.14261	9.9
195.13724	7.3
209.11760	50.5
209.21393	4.1
219.17383	8.3
229.19519	8.1
237.11237	42.1
237.18376	5.6
247.20525	10.2
255.12222	9.9
257.18982	15.6
268.75208	4.4
275.20090	53.5
293.17780	7.5
293.21051	88.2
311.17636	87.9
311.21695	7.0
311.25775	10.9
312.18146	5.3
323.14642	4.2
329.50800	4.4
330.18326	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	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03948	0.5
55.01867	1.8
55.05512	10.7
57.03435	1.0
57.07078	3.2
62.48931	0.3
65.03944	0.4
67.05507	5.7
69.03420	1.3
69.06736	0.5
69.07072	4.8
71.08634	8.1
79.05492	4.4
81.03413	1.0
81.07065	6.6
81.68649	0.4
83.04965	1.9
83.08627	6.6
85.06520	0.6
91.05470	2.1
93.07054	3.8
95.04974	2.7
95.08607	3.6
97.06538	0.6
97.09554	0.4
97.10169	7.9
99.08083	4.8
105.07032	2.2
107.04977	1.8
107.08603	4.1
108.05740	0.8
109.02835	0.7
109.06498	1.6
109.10142	1.7
111.04409	1.3
111.08087	0.8
115.40617	0.4
117.07047	0.9
119.08601	1.3
121.06508	4.3
121.10146	1.8
123.08056	0.6
125.09627	5.6
125.11114	0.4
127.07679	0.5
127.31920	0.4
131.08575	1.2
133.10081	0.8
135.08054	1.1
135.11713	1.0
137.09610	0.6
139.11182	0.4
143.08617	0.4
145.10078	0.9
147.02100	0.5
149.09480	0.6
149.13197	0.6
151.11160	1.0
153.05481	1.5
153.08975	0.4
157.10190	0.4
159.11725	0.7
163.11205	1.1
164.11993	0.8
165.12740	1.0
167.10652	0.5
169.10127	0.4
177.12784	1.8
181.05025	0.5
181.12250	0.6
187.11066	0.6
189.11230	3.2
189.12811	0.6
191.10657	1.1
193.12337	0.5
209.11725	6.5
229.69345	0.4
237.11234	5.8
237.14983	0.5
247.20572	1.0
255.12297	2.1
257.19067	1.1
265.21634	0.6
275.20102	6.7
293.21115	100.0
294.21530	2.2
301.27698	0.4
311.18259	0.5
311.26068	0.8
312.12244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03938	2.8
55.01865	3.5
55.05511	16.9
57.03427	4.7
57.07077	11.6
57.44656	1.2
67.05505	18.8
68.69685	1.3
69.07071	16.7
70.78070	3.8
71.08633	9.7
79.05504	8.7
81.03418	4.2
81.07050	20.2
83.04981	3.4
83.08633	10.0
85.10168	1.5
91.05497	7.6
93.07058	8.7
95.04964	4.7
95.08585	11.5
97.06537	4.0
97.10183	11.1
99.08086	5.9
105.07044	5.9
107.04979	3.9
107.08579	9.3
109.06532	2.2
109.10158	10.2
111.04426	3.6
111.08086	2.4
112.56297	1.6
117.36379	1.4
119.08579	4.0
121.06516	3.7
121.10123	7.9
123.08079	2.0
123.11715	3.4
125.09650	3.5
131.08569	5.2
133.10124	3.7
135.08087	1.7
135.11673	4.5
137.09621	4.6
139.11087	1.6
144.16600	1.5
145.10069	3.1
149.09685	2.0
151.11140	1.8
153.05464	2.9
157.10007	1.9
159.11639	2.5
163.71059	1.4
165.12825	3.8
173.13242	1.6
177.12691	2.8
181.12216	1.9
187.07437	1.8
189.11224	2.3
191.10657	1.8
201.16388	1.9
209.11740	20.9
223.13260	1.7
234.78389	1.5
237.11182	18.5
255.12346	5.0
275.20041	12.0
293.21106	100.0
294.21472	2.1
311.12827	3.4
311.18539	1.9
311.25952	16.6
312.12512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03935	0.9
55.01873	1.9
55.05511	11.6
57.03437	2.1
57.07082	6.4
65.03939	0.9
67.05504	10.8
69.03426	1.1
69.07072	7.3
69.75405	5.1
71.04976	1.1
71.08639	9.5
77.27553	0.7
79.05508	5.9
81.03423	1.2
81.07057	13.1
83.04970	1.9
83.08612	6.0
85.06546	0.8
91.05509	3.9
93.07037	8.2
95.04977	3.8
95.08612	9.7
97.06539	2.7
97.10177	6.5
99.08114	5.4
105.07039	6.9
107.04971	2.6
107.08586	6.8
109.06532	1.9
109.10162	4.7
111.04440	2.4
111.08110	1.3
117.07063	1.8
119.04953	0.7
119.08618	4.1
121.06528	4.6
121.10143	4.1
125.09620	3.5
131.08585	3.2
133.10133	2.6
135.08072	1.2
135.11716	2.7
137.09647	1.5
137.13174	0.8
139.11200	1.4
145.10144	3.1
147.11687	1.0
149.09673	0.9
149.13232	0.9
151.11203	1.1
153.05484	2.0
159.11749	1.7
161.13309	0.8
163.11163	1.5
165.12747	3.4
169.10139	1.2
173.13295	1.0
177.12714	1.1
181.12230	1.5
189.11255	2.3
191.10744	1.1
201.12878	0.8
201.16435	2.2
203.14543	0.8
209.11729	10.8
210.12096	1.1
213.84070	1.0
219.08121	0.9
219.17552	1.9
219.44992	0.9
237.11238	9.7
255.12283	2.5
257.19025	1.9
260.11148	0.8
274.59775	0.8
275.20062	8.1
293.21109	100.0
294.21399	4.5
311.13211	0.9
311.25735	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01867	5.8
55.05508	29.1
55.07614	1.8
57.03424	7.8
57.07067	3.4
59.05005	3.6
67.05507	75.4
69.03410	7.7
69.07057	9.2
70.44753	6.6
71.05001	17.8
71.08633	75.6
72.74236	2.1
79.05498	18.3
81.03415	10.2
81.07063	26.1
83.04974	18.2
83.08611	6.6
85.02904	20.1
85.06522	3.3
91.05466	19.5
93.07046	33.7
95.04977	15.2
95.08609	100.0
96.08916	2.4
97.06526	7.5
97.10168	7.4
99.04457	5.7
99.08092	35.4
101.06027	4.8
105.07050	9.8
107.08563	8.6
109.06499	6.8
109.09455	3.7
109.10154	53.0
111.08067	3.1
113.05997	6.0
117.07057	5.3
119.07789	2.6
119.08584	23.6
121.06491	4.6
121.10147	7.6
123.08066	8.1
127.11172	7.7
131.08545	5.2
133.10127	11.9
134.83777	1.9
135.08041	3.1
135.11647	2.3
137.09625	27.8
139.11186	41.5
143.70860	2.2
145.10159	5.0
149.09554	4.0
149.13164	2.2
151.09966	2.5
151.11188	42.5
155.10675	84.9
159.11705	6.9
161.09625	12.8
165.12737	8.9
173.11737	18.5
177.12761	18.4
179.10675	4.8
191.14281	8.4
195.13792	10.6
229.19507	5.5
247.20580	4.1
257.18964	10.1
275.20053	38.1
276.20175	2.2
278.88763	2.1
293.21100	94.3
294.21439	3.0
311.22244	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.46259	2.4
51.49604	2.2
53.03953	2.7
55.01868	6.6
55.05515	20.9
57.07089	11.7
64.08169	2.4
67.05507	100.0
69.03426	7.7
69.07069	29.9
71.87921	2.4
74.47576	2.4
74.98923	2.2
79.05496	22.9
81.03427	10.1
81.07059	38.4
83.05000	3.9
83.08631	14.1
85.02868	3.0
91.05486	16.6
93.07052	28.9
95.04974	20.2
95.08621	28.0
97.06526	7.2
97.10165	10.3
105.07025	13.3
107.04967	5.9
107.08591	14.3
109.06548	4.6
109.10163	66.9
111.04433	6.6
111.08029	3.6
117.07034	4.6
119.08582	13.8
121.10163	14.6
123.08080	4.3
123.11674	3.2
125.06021	3.4
125.09666	13.0
129.06961	2.9
131.08568	6.9
133.10165	10.7
135.08073	3.7
135.11650	4.0
137.09613	34.8
143.08545	3.8
145.10120	7.9
147.08087	2.1
147.11705	6.8
149.09634	9.7
149.13246	2.6
151.11182	3.7
153.05437	7.4
157.10153	3.8
159.11728	4.1
161.13185	2.9
162.54301	2.5
163.11203	7.4
171.11699	2.7
181.05020	2.9
181.12308	4.0
189.11229	8.2
191.10680	4.7
193.12347	3.2
201.97787	2.4
209.11728	45.7
223.13319	11.2
229.19533	4.2
229.34172	3.9
237.11246	39.4
255.12233	11.9
275.05518	2.6
275.20062	35.1
293.17432	7.0
293.21097	17.1
311.12961	7.1
311.18771	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.55775	5.4
53.03941	5.7
53.13666	5.1
55.01866	14.3
55.05513	55.3
57.03416	15.1
57.07077	11.3
58.57226	5.8
67.05173	6.9
67.05507	85.2
69.03420	23.2
69.07069	49.9
69.95031	27.6
71.04991	13.1
71.08631	43.6
78.98966	6.4
79.05486	44.8
81.03425	8.8
81.07060	91.6
83.04971	20.1
83.08620	38.5
85.02901	14.9
85.06563	12.4
91.05485	38.8
93.07040	67.9
95.04977	16.7
95.08613	83.4
97.06535	87.1
97.10156	22.2
99.08064	28.6
100.11253	45.8
105.07019	40.0
107.04944	22.6
107.08593	41.3
109.06497	9.6
109.10159	71.5
111.08076	10.5
112.89033	4.8
113.06023	7.2
117.07013	15.4
119.08578	45.4
121.06479	11.3
121.10146	24.1
123.08060	14.0
123.11710	7.3
125.09625	11.0
129.07018	7.1
131.08585	18.8
133.10095	32.8
135.11723	13.3
137.05972	10.5
137.09581	18.8
139.11171	34.7
145.10144	13.3
147.11652	12.3
149.09601	18.1
149.13304	10.2
151.11153	32.7
155.10675	32.8
157.10121	10.4
159.11700	16.8
161.09644	8.3
165.07014	7.0
167.07143	10.1
168.13870	6.0
169.10182	7.5
173.11758	14.9
173.13245	10.1
177.12761	9.0
179.10753	7.1
182.15384	10.8
183.87849	6.8
185.16483	7.8
187.11153	9.1
195.13869	8.7
197.09627	9.3
210.14903	21.3
211.11070	8.9
213.09032	12.0
215.10719	19.1
237.11168	10.2
257.19031	12.8
275.20065	100.0
275.22891	4.9
293.21115	93.4
311.12820	19.0
311.16415	41.6
311.22223	25.3
312.16641	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01865	7.9
55.05512	14.4
56.96565	1.1
57.03429	3.4
57.07076	30.7
59.05001	1.4
64.09003	1.0
65.03951	1.6
67.05508	41.4
68.99801	1.2
69.03432	7.2
69.07071	9.4
71.01350	1.7
71.04999	14.5
71.08631	23.6
71.59033	1.5
78.38303	1.1
79.05492	8.0
81.03424	6.0
81.07057	15.8
83.04987	13.6
83.08615	3.0
85.02913	17.2
85.06562	2.4
91.05486	20.4
91.06022	2.1
93.07050	20.8
95.04971	10.1
95.08611	93.5
97.06535	4.5
99.04434	2.9
99.08097	15.5
101.02393	1.5
101.06030	3.5
103.13536	1.1
105.07031	7.9
107.04966	4.4
107.08575	6.7
108.08991	1.2
109.02886	4.0
109.06525	5.0
109.10160	32.4
111.04444	20.3
111.08099	3.6
113.06020	5.9
113.09653	2.2
117.07041	2.6
119.08592	21.1
121.06516	2.9
121.10122	6.3
123.04440	1.9
123.08077	15.9
125.06023	5.8
127.07561	1.2
127.11212	5.4
131.04913	1.4
131.08592	4.7
133.10126	20.8
135.04413	2.3
135.11713	3.7
137.06058	1.2
137.09622	24.8
139.11259	2.1
139.61404	1.2
141.09076	2.0
145.10155	4.5
147.11732	2.1
149.02313	2.4
149.09634	2.2
151.11189	26.1
153.05482	16.8
155.10672	85.7
156.10994	1.5
159.08018	1.3
159.11708	3.4
161.09656	3.9
163.03946	1.4
163.11171	5.8
165.09171	1.2
165.12730	1.3
173.09627	1.3
175.07530	1.3
177.12747	5.2
179.10727	2.7
180.17097	1.1
181.04988	4.3
181.12259	8.7
183.13802	4.6
187.07544	3.4
187.11108	1.1
191.10687	12.5
191.14360	1.1
193.04939	5.8
196.62592	2.1
209.11742	99.0
210.12038	5.0
219.10107	2.2
223.13359	1.9
229.19463	5.7
237.11230	96.3
238.11674	4.3
247.20503	6.0
248.84831	1.2
251.20078	12.2
252.20654	1.6
255.12276	28.6
256.12775	1.4
257.19006	3.1
265.21692	3.7
275.20029	22.3
276.20505	1.5
279.10098	2.0
293.17639	10.9
293.21082	100.0
294.21530	7.7
309.79800	1.2
311.13058	5.3
311.18619	12.1
311.24768	9.2
311.74811	3.1
312.10153	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03948	3.1
55.01861	5.5
55.05260	1.9
55.05511	30.3
57.03439	11.3
57.07077	13.1
59.04990	5.1
67.05506	41.5
69.03439	7.2
69.07069	100.0
69.95636	7.2
70.06604	2.4
70.07384	1.7
71.04990	7.5
71.08621	4.2
73.06557	3.4
75.86075	1.3
79.05492	20.3
81.03396	2.4
81.07056	78.1
81.87716	1.2
82.07398	2.0
82.43812	1.1
83.04981	4.7
83.08134	2.2
83.08620	28.4
85.02902	6.9
85.06535	15.2
85.10178	1.9
85.22567	1.2
87.88706	1.2
91.05484	19.7
93.07045	41.7
95.04964	6.0
95.08607	86.0
96.08938	2.7
97.02889	3.7
97.06532	16.2
97.10175	9.1
99.04446	1.4
99.08097	18.4
101.06055	1.8
103.05505	2.3
105.07021	10.9
107.04958	30.3
107.08598	43.0
109.02876	3.7
109.06519	5.3
109.10158	35.2
109.10908	1.3
111.08078	21.2
111.11716	22.5
113.06006	1.6
115.07550	2.7
116.07111	4.2
117.03436	1.2
117.06997	4.2
119.04951	8.8
119.08578	9.2
121.06535	2.5
121.10143	19.3
123.08073	4.9
123.11713	38.3
125.09634	6.1
125.13298	2.6
127.03912	1.6
127.07590	4.1
127.11209	2.0
129.06944	1.4
129.12730	1.9
131.04933	4.3
131.08612	4.5
133.06509	6.8
133.10136	4.7
135.08044	4.0
135.11700	21.3
137.05981	7.3
137.09631	3.4
137.13264	7.4
138.06329	2.0
139.11177	6.5
143.08495	1.4
145.06595	1.4
145.10104	2.8
147.04410	38.3
147.05511	2.4
147.08090	3.0
147.11697	5.7
148.04771	1.3
149.09676	1.8
149.13255	27.5
151.11218	2.4
151.14824	1.9
153.12752	30.6
157.06430	2.4
157.10080	2.0
159.11769	2.1
161.09669	2.0
161.13293	4.5
163.07571	2.5
163.14833	5.1
165.12708	2.2
167.14307	10.2
171.11703	1.2
171.13821	3.5
175.11179	1.7
175.94403	1.2
177.05533	1.6
177.16418	2.5
179.10582	1.3
185.09665	2.3
188.07634	1.2
189.09106	3.4
189.11125	1.6
189.16405	1.6
217.15971	2.0
217.19569	1.8
223.13322	1.2
230.07973	1.3
260.16583	1.8
263.20123	1.5
273.18454	5.2
273.25754	3.1
274.15225	3.0
278.17560	1.6
291.19666	10.6
291.22733	1.3
291.23798	2.0
291.26718	12.4
292.16354	1.7
292.19617	2.3
292.27289	1.5
309.09842	1.3
309.11554	1.4
309.14792	7.7
309.20703	8.5
309.27826	56.3
310.18033	2.9
310.24100	1.4
310.28009	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40892	5.6
51.50777	6.7
55.01876	63.9
55.05517	41.3
56.90462	5.7
57.61733	6.2
67.05511	58.4
69.07067	54.4
79.05500	23.0
81.07062	80.2
83.04976	15.2
83.08617	41.7
83.68145	6.5
91.05498	31.4
93.07047	50.7
95.04960	16.4
95.08611	53.6
97.06537	81.3
99.08067	7.7
105.07040	30.2
107.04979	8.6
107.08611	37.0
109.06497	13.1
109.10171	19.5
111.08092	17.7
117.06994	8.4
119.08562	33.1
120.75655	6.4
121.10112	31.4
123.11739	13.8
123.92154	6.3
129.06920	6.4
131.08569	8.5
133.10133	25.1
135.08043	8.4
135.11716	26.5
135.44286	8.2
139.11118	7.3
147.04333	11.1
147.11659	48.3
149.13281	11.5
159.11745	7.2
161.13251	9.7
163.11206	8.9
165.12770	23.2
171.11748	10.5
179.14426	9.5
210.54147	6.7
259.20615	15.0
277.21658	100.0
291.19565	6.8
291.22961	8.8
309.24307	52.1
309.27661	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.67723	10.1
54.06581	10.0
55.01880	17.3
55.05504	45.8
57.03434	25.8
57.98831	9.4
67.05508	97.7
68.73582	9.9
69.07069	37.3
69.43714	87.0
71.08632	68.0
71.42712	10.0
79.05495	76.8
81.07064	97.6
83.04948	20.8
83.08614	19.5
91.05467	38.1
91.35754	10.6
93.07057	68.3
93.66415	10.1
95.05005	15.6
95.08612	71.9
97.06506	11.7
97.10158	25.1
99.08092	42.4
105.07033	33.9
107.08584	77.9
109.06541	11.7
109.10178	64.4
117.07017	14.5
119.08566	24.4
121.10142	30.4
123.11713	13.5
125.09638	25.6
130.01610	9.6
133.10117	34.9
135.11726	49.0
145.10173	11.1
147.04408	28.1
147.11667	19.6
149.09618	11.1
149.13226	23.1
151.11159	25.0
159.11731	14.2
161.13295	15.6
163.11224	10.9
173.13225	10.7
179.14348	82.9
203.12738	22.5
259.20532	23.4
273.18573	13.2
277.21619	100.0
291.19623	21.9
291.23148	14.9
309.20612	11.4
309.24203	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	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03927	5.3
55.01856	4.0
55.05509	15.2
57.03413	6.9
57.07063	3.1
57.50613	2.4
65.03928	3.3
67.05508	27.6
69.03413	4.8
69.07075	20.4
71.04964	3.5
71.19887	3.6
71.20225	2.5
79.05492	36.1
81.03391	3.4
81.06591	2.4
81.07051	45.1
83.04982	2.9
83.08601	8.0
85.02887	2.2
91.05476	48.0
93.07041	79.3
95.04965	58.1
95.08601	45.5
95.09170	1.5
97.05986	2.1
97.06529	21.6
103.05425	3.8
105.04536	2.1
105.07026	89.1
107.04955	4.9
107.08591	45.3
109.06515	15.0
109.10142	27.0
115.05438	4.9
117.05369	2.1
117.07004	18.1
119.08577	68.8
121.06537	11.0
121.10139	100.0
122.10489	2.4
123.08034	11.9
123.11690	6.1
128.06204	10.5
129.07018	14.0
130.07722	6.4
131.08566	42.4
133.06491	3.3
133.09132	2.4
133.10126	42.6
135.08015	7.0
135.11691	10.9
141.06934	5.1
142.07759	12.2
143.08569	30.5
144.09380	9.9
145.06471	2.7
145.09044	3.3
145.10115	51.6
147.07988	4.3
147.11705	15.8
149.09549	2.7
153.06993	2.7
154.07765	2.8
155.08545	11.8
156.09358	13.1
157.10133	39.7
158.10852	3.9
159.08029	3.0
159.10428	3.5
159.11688	45.3
161.09575	9.1
161.13249	7.3
163.11137	4.8
167.08478	4.5
168.09267	3.4
169.10130	16.7
170.10860	4.8
171.11708	17.0
171.42874	2.3
173.09625	4.9
173.13287	20.4
175.14850	10.3
178.07828	2.2
179.08536	3.9
181.10037	7.3
183.10260	2.3
183.11681	14.5
184.12428	4.5
185.13307	12.6
187.11194	14.3
187.14850	24.4
189.12669	4.3
192.09267	2.6
193.10052	5.9
193.12132	2.3
195.11641	7.0
196.12361	3.6
197.13268	14.6
199.11087	2.3
199.14795	11.1
206.10895	3.0
207.11635	5.2
208.12379	2.9
209.13191	8.3
211.11340	2.2
211.14854	9.9
213.16377	5.0
215.14145	2.6
217.15622	2.3
220.12282	3.4
221.13234	3.3
222.14041	2.7
223.14778	4.3
225.12741	4.3
225.16356	6.3
235.14738	6.7
237.16368	2.5
237.51364	2.3
239.14398	3.2
239.17860	4.3
241.15804	2.4
249.16406	3.8
253.15848	6.2
253.19514	2.9
267.17218	3.6
277.20441	2.1
281.22540	8.8
291.20956	8.2
309.22037	75.6
310.22443	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	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.5
55.01861	8.7
55.05519	29.3
57.03424	12.2
63.69623	3.6
67.05507	47.3
68.23313	4.0
69.03436	3.8
69.07070	26.1
70.27429	16.0
71.04983	6.2
77.03944	3.9
79.05499	42.8
81.03421	11.2
81.05566	4.3
81.07056	52.4
82.07415	4.5
83.04986	9.3
83.08624	11.7
85.02891	5.8
91.05479	53.4
93.07049	100.0
95.04971	72.5
95.08599	61.0
97.06534	32.8
97.10199	5.4
98.26048	3.9
103.05523	5.7
105.07031	93.6
107.04951	14.7
107.08601	54.3
109.06495	19.8
109.10155	22.5
111.04481	6.9
115.05441	6.9
117.07032	27.7
119.04898	5.2
119.08581	77.4
121.06516	12.9
121.10144	83.8
123.08072	16.7
125.09617	5.5
128.06210	6.5
129.06993	15.6
130.07780	9.3
131.08589	46.5
133.06503	4.8
133.10130	51.9
135.08067	10.9
135.11678	15.5
137.09639	5.0
141.06946	6.0
142.07770	13.0
143.08577	26.9
145.06465	6.3
145.10121	68.5
146.33405	3.8
147.04439	6.9
147.08014	9.1
147.11696	16.3
149.09647	6.7
155.08611	7.1
156.09300	9.6
157.10120	45.6
158.10889	7.6
159.08029	5.5
159.11668	40.7
161.06021	5.3
161.09633	16.9
161.13206	6.4
163.11223	5.0
165.09119	7.0
169.10152	16.4
170.10893	4.6
171.11710	13.4
173.13301	22.3
175.14760	9.5
181.10162	8.3
183.11682	11.2
185.13274	12.3
187.11191	9.5
187.14876	26.1
189.16394	5.0
195.11723	8.5
197.13321	10.8
199.14803	16.3
207.11755	5.5
209.13312	10.9
211.14906	9.0
213.16376	6.2
221.13281	6.3
221.52472	3.8
223.14894	4.1
233.09599	4.9
235.14919	6.4
245.09738	4.4
273.12756	8.9
273.18463	11.7
279.96048	4.4
291.19223	20.7
309.14722	10.4
309.21869	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	4.1
55.01620	3.2
55.01869	32.7
55.05510	16.9
56.96555	3.0
57.03427	6.8
57.07082	2.4
59.04992	2.2
65.03938	3.4
67.05170	3.1
67.05505	40.9
69.03441	4.5
69.07067	25.0
70.04034	2.0
71.04984	6.2
73.06555	2.2
73.16275	1.9
74.72506	1.8
75.04437	2.1
79.05490	25.7
81.03425	9.5
81.07055	36.4
83.04979	29.1
83.08614	8.4
85.02904	7.4
85.06534	4.6
87.04499	1.9
91.05478	23.3
93.07043	28.6
95.04954	14.7
95.08601	27.7
97.02930	2.4
97.06541	27.4
97.10152	10.9
99.04445	18.0
103.05426	2.7
105.07036	15.1
107.04955	82.7
107.08588	20.8
108.05267	2.7
109.02833	2.1
109.06519	8.6
109.10146	21.2
111.04437	100.0
111.08065	5.4
113.51209	2.0
115.05452	2.6
116.98619	3.2
117.07018	12.1
119.04944	7.0
119.08552	13.7
121.06477	5.7
121.10143	12.8
122.06007	2.1
123.04397	2.6
123.08061	7.8
123.11713	7.8
125.09657	9.3
129.07016	6.6
131.00223	2.5
131.04968	3.6
131.08580	9.0
133.06516	5.5
133.10149	10.2
135.08083	9.5
135.11662	4.9
137.06010	12.6
137.06996	2.8
137.09615	15.3
139.11174	3.2
142.32050	1.8
143.08583	5.3
145.10132	4.7
147.04398	29.3
147.08047	5.1
147.11693	5.8
149.01265	2.3
149.09624	7.4
149.13216	2.3
151.08667	2.9
153.07008	7.8
153.09087	25.0
155.08617	2.5
157.06422	2.1
157.10167	4.6
159.08096	3.2
159.11694	3.2
161.09599	7.4
163.07533	3.2
163.11148	3.6
165.09087	2.3
171.11592	4.0
173.11757	5.8
175.11185	5.8
177.12875	2.5
179.10693	2.2
183.10204	2.1
185.09644	4.9
187.07559	8.7
189.09106	12.2
189.12773	4.0
189.16377	2.7
193.12140	2.6
196.52200	1.8
203.10690	2.9
211.08794	2.2
213.09088	11.4
213.76152	2.1
221.11815	2.7
231.10129	4.3
236.07823	2.0
245.19127	2.1
249.14969	2.6
251.10454	2.6
253.13490	3.8
255.17372	3.3
263.11200	2.3
263.20044	6.8
273.18472	20.1
281.12830	2.4
291.14063	2.5
291.19540	39.9
292.19968	3.1
309.11789	15.2
309.14880	7.8
309.20535	42.8
309.27917	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	309.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80803	0.8
52.93337	1.0
53.03937	2.8
55.01878	5.6
55.05262	1.3
55.05511	20.3
65.03934	1.1
67.05172	1.5
67.05508	23.9
69.03427	4.2
69.07069	5.9
70.04069	1.2
70.15224	4.4
71.04977	2.2
73.14275	0.8
79.05495	37.3
81.03398	1.7
81.07057	15.5
83.04973	2.8
83.08622	10.2
85.06495	1.1
89.48245	0.9
91.05476	15.5
93.07043	14.6
95.04963	7.1
95.08601	9.1
97.06541	1.3
97.10177	12.1
105.07043	10.3
107.04957	100.0
107.08594	20.4
108.05189	1.0
109.06496	3.0
109.09460	1.4
109.10155	18.7
111.08080	1.1
115.05431	1.9
117.07016	7.3
119.08578	21.8
121.06504	1.3
121.10136	5.2
123.08051	2.1
125.09644	10.5
128.06213	1.0
129.07014	2.2
131.08585	6.2
133.06503	2.1
133.10110	3.9
135.08054	51.0
135.11674	2.2
136.08221	1.1
137.09625	9.0
143.08525	3.7
145.10124	7.9
147.08029	9.1
149.09636	3.1
155.10692	3.2
157.10114	2.6
159.11726	2.3
161.09639	2.8
163.11121	1.4
165.09102	2.9
171.11656	2.5
173.11751	23.0
173.13098	1.1
175.11201	1.2
177.12766	1.2
181.12245	1.3
183.10101	1.3
185.13309	1.1
189.11229	3.8
213.16310	1.3
217.27426	1.0
226.08542	0.9
227.17970	2.6
235.13478	1.3
245.19063	1.5
255.17448	2.6
263.20203	1.3
273.18478	20.9
291.19556	33.0
309.20566	3.1
317.54538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	3.6
55.01873	7.6
55.05267	2.1
55.05511	27.7
57.03415	1.9
67.05512	26.2
69.03424	3.9
69.07065	16.6
79.05071	3.5
79.05499	41.2
81.03404	3.8
81.07063	22.4
83.04967	5.1
83.08627	21.5
85.02962	1.8
85.06535	1.8
91.05489	22.8
93.07047	25.1
95.04967	9.7
95.08620	12.9
96.01120	1.6
97.06505	1.6
97.10180	18.6
98.20744	5.0
105.07021	15.0
107.04961	93.8
107.08600	30.7
108.05318	2.6
109.06505	2.6
109.10157	14.2
111.04414	3.1
111.08036	2.4
115.05446	2.3
117.07017	10.6
119.08580	27.1
121.06494	4.9
121.10158	10.6
123.08068	8.9
125.09641	17.3
128.06221	1.8
129.07001	4.3
131.08556	9.9
133.06487	4.4
133.10135	4.8
135.07111	2.7
135.08061	36.7
135.11707	3.6
137.09647	11.8
143.08611	3.4
145.10110	13.1
147.04350	7.5
147.08052	11.2
147.11673	3.1
149.09593	6.1
153.09125	2.3
155.10692	4.3
157.10136	4.6
159.11691	2.1
161.09598	6.6
161.13318	1.8
163.11153	2.5
165.09074	6.1
167.10760	1.9
171.11757	2.1
173.11745	13.1
175.11198	2.5
179.26314	1.7
189.11226	13.9
213.16339	2.2
223.13313	4.9
245.18994	3.0
249.18373	1.9
255.17445	3.8
263.19928	2.6
273.18530	31.6
274.18637	2.4
291.19562	100.0
292.19922	6.9
309.20667	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	2.8
55.01869	4.0
55.05513	18.2
57.03437	1.8
57.07076	1.2
59.05000	1.1
67.05171	1.5
67.05509	24.2
69.03451	1.7
69.07067	6.9
69.39729	4.5
69.40151	4.6
71.04990	2.4
79.05496	38.6
81.03425	3.0
81.07065	16.5
83.04980	2.5
83.08617	10.9
85.06557	1.4
91.05483	16.8
93.07039	18.2
95.04974	6.1
95.08620	10.6
97.06530	1.8
97.10165	12.6
98.98470	1.0
104.68468	0.9
105.07040	10.5
106.04492	0.9
107.04960	100.0
107.08596	18.4
108.05266	2.1
109.06551	1.9
109.10165	19.2
111.08082	2.0
115.05463	2.7
117.07026	7.9
117.90699	0.9
119.08582	17.0
121.06479	1.5
121.10155	6.7
122.03625	1.4
123.08062	2.3
125.09640	8.1
129.06995	3.9
131.08606	5.7
133.06470	1.8
133.10129	3.1
135.08060	49.6
135.11719	2.5
137.05997	19.7
137.09624	8.3
138.06313	12.8
140.49545	0.9
143.08574	3.4
145.10138	6.9
146.12111	0.9
147.08061	6.1
147.11661	2.1
149.09633	3.9
155.10759	2.7
157.10129	2.0
159.08124	1.2
159.11716	2.7
161.09657	3.4
163.11223	1.5
165.09120	3.6
171.11775	1.2
173.11751	21.3
177.09058	1.4
183.10194	2.4
189.11224	3.7
245.19063	2.1
255.17416	1.4
263.20038	1.3
273.15604	0.8
273.18478	21.8
291.19559	34.8
292.19925	3.3
309.20660	4.2
309.23999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.09196	3.6
55.01881	21.0
55.05517	24.3
57.03431	9.3
57.07091	6.8
67.05508	50.6
68.52397	4.2
69.03406	5.0
69.07069	30.8
70.04060	4.7
70.05627	21.5
71.05006	10.1
71.08607	4.5
79.05498	35.2
80.68970	4.8
81.03404	10.2
81.07054	63.7
83.04971	17.7
83.08630	11.6
85.02910	19.2
85.06536	4.9
91.05486	18.9
93.07038	38.0
95.04966	15.2
95.08614	40.0
97.06565	9.1
97.10158	15.7
98.98460	4.5
99.04470	11.8
99.08099	4.2
101.05994	4.6
105.07043	21.7
107.04988	26.2
107.05592	4.7
107.08617	31.1
109.06516	12.2
109.10169	25.2
111.04454	26.8
111.08000	4.7
113.06005	3.7
117.06982	5.4
119.08616	20.7
121.06527	4.5
121.10172	16.4
123.08077	10.7
123.11673	4.1
125.09647	12.9
129.05486	6.3
129.07053	4.3
129.61079	4.2
131.08582	8.7
133.10135	20.3
135.08073	13.9
135.11719	9.4
139.11157	9.9
141.09177	4.8
143.08545	6.2
145.10143	15.1
147.08011	5.6
147.11707	8.3
149.09605	11.1
151.11192	10.3
153.09137	7.4
157.10059	6.0
158.24693	4.2
159.11717	4.3
161.09630	8.5
163.11189	9.4
165.09163	8.5
167.10712	7.5
175.11253	5.9
189.11189	7.1
193.12306	10.3
203.12668	8.0
213.09491	4.6
245.19084	7.8
263.20090	9.1
273.18570	31.7
291.19540	100.0
292.19797	5.7
309.08838	7.7
309.20560	24.8
309.24274	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.99753	2.5
55.01870	9.4
55.05515	31.1
57.03429	18.2
59.05002	6.7
67.05505	29.5
67.62273	2.5
68.32586	3.1
69.03411	2.9
69.07067	12.5
70.32404	10.7
71.04989	6.5
79.05491	37.1
81.07053	34.8
83.05007	5.7
83.08613	14.6
85.06519	4.7
91.05491	27.8
93.07039	22.0
95.04977	15.7
95.08614	14.4
97.06533	5.4
97.10147	16.4
99.04482	3.6
102.97436	2.4
105.07030	20.1
107.04954	100.0
107.08606	19.1
109.06523	12.4
109.10146	15.9
111.04417	7.5
111.08079	3.3
117.07013	15.6
119.08580	27.8
121.06477	5.1
121.10153	11.3
123.04420	3.9
123.08051	14.7
125.09641	16.5
129.07010	8.4
131.04872	4.0
131.08583	16.8
133.06493	6.3
133.10126	8.4
134.96756	3.1
135.08035	16.2
135.11755	4.6
137.05992	10.7
137.09615	6.7
139.28741	2.5
143.08572	4.6
144.83372	2.9
145.10136	6.4
147.04352	8.5
147.08060	16.1
149.09624	7.8
153.09106	5.8
157.10086	4.8
159.08066	4.8
159.11725	4.2
161.09660	5.4
163.07550	4.6
163.11153	5.2
165.09128	4.9
171.10201	3.1
171.11618	4.7
173.11716	6.8
173.13275	4.7
175.07578	3.6
189.09164	9.5
189.11253	16.0
217.15883	4.7
219.13875	5.8
227.18005	4.0
235.13159	4.2
235.17000	4.6
245.19078	3.5
249.14957	4.2
255.17545	4.7
273.18478	39.3
291.19550	74.4
292.19934	4.4
304.03201	2.8
309.14642	4.8
309.20679	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03932	1.4
55.01870	4.1
55.05512	16.9
57.03417	0.8
57.07069	1.0
58.81361	0.4
59.04997	0.7
61.61416	0.4
67.05173	0.7
67.05508	11.3
69.03439	3.4
69.06721	0.7
69.07072	9.9
71.02461	0.9
71.02795	0.7
71.04975	1.6
74.76992	0.4
79.05058	0.8
79.05495	11.2
81.03422	2.8
81.07060	13.3
83.04973	2.5
83.08151	0.6
83.08620	9.8
91.05483	7.0
93.07041	9.1
95.01324	0.8
95.04983	5.1
95.08616	6.3
97.02882	1.7
97.06532	0.6
97.10169	15.7
99.08106	0.5
105.07034	6.1
107.04962	4.4
107.08596	7.9
109.02863	0.9
109.06527	1.6
109.10169	3.9
111.04440	1.5
111.08051	1.1
115.05455	0.8
117.07050	2.4
119.04960	1.0
119.08573	5.5
121.06476	1.4
121.10139	3.2
123.08067	4.9
125.09635	9.9
129.07025	1.3
131.08595	4.3
133.06506	2.3
133.10127	1.3
134.07251	0.6
135.08035	2.4
135.11674	1.0
137.05980	0.7
137.09552	1.2
141.06952	0.6
143.08530	1.1
145.10123	3.5
147.08012	3.4
147.11682	2.1
149.09639	1.0
153.09120	1.4
153.12668	0.6
155.01242	0.7
157.10110	1.1
159.07968	0.6
159.11705	1.2
161.09637	1.5
163.11166	1.7
165.09129	1.9
171.11684	1.2
173.11766	0.6
175.11258	1.0
175.56851	0.5
185.13304	0.6
189.11226	8.7
189.12723	0.6
193.12212	1.0
205.12296	0.7
213.00235	0.6
213.12784	0.5
217.12311	0.7
221.11813	0.8
223.13289	5.4
235.13170	0.7
245.18863	1.2
249.14854	0.9
255.17427	1.6
263.19925	0.8
268.68497	0.5
273.18506	7.8
274.18835	0.6
284.00775	0.6
291.19550	100.0
292.19946	5.4
301.01706	0.8
309.20676	3.7
309.23843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03933	5.3
55.01870	14.9
55.05512	21.0
57.03426	5.1
57.07072	3.2
63.26083	2.7
67.05502	28.8
68.74281	2.5
69.07058	7.1
70.04913	6.8
70.05331	8.6
70.70129	2.5
71.04987	3.4
79.05491	35.9
81.03416	3.4
81.07056	59.5
81.08437	2.5
83.04988	25.1
83.08611	11.0
85.02905	6.5
85.06560	4.0
91.05454	17.2
93.07038	28.5
95.04977	14.7
95.08609	12.5
97.06518	6.7
97.10169	9.7
99.04450	5.7
102.98038	2.8
105.07030	17.6
107.04944	16.4
107.08601	19.1
109.06493	13.7
109.10155	12.0
111.04450	40.6
111.08084	9.6
113.05964	3.5
117.07015	12.0
119.08603	24.1
121.06489	11.9
121.10145	13.3
123.08097	6.2
125.09641	8.5
129.07060	8.6
131.08565	12.2
133.06448	3.4
133.10118	6.2
135.08049	8.5
135.11708	9.6
143.08582	7.2
145.10089	16.5
147.08052	12.2
149.09631	4.0
153.12740	9.1
161.09549	3.8
163.11169	19.5
169.70537	3.8
172.70000	3.4
181.12231	17.1
185.13383	3.6
189.11272	7.3
191.10701	14.1
197.26059	3.2
215.08556	3.8
223.13380	4.6
227.12776	9.1
243.08046	9.5
244.08247	4.3
249.14848	9.4
255.17531	5.0
256.57648	3.1
272.07901	5.0
273.18448	33.1
289.08649	28.4
290.08911	22.0
291.19547	100.0
292.19897	4.6
308.56064	8.8
309.20624	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03942	2.8
55.01875	5.8
55.05513	23.8
57.03432	2.6
59.04993	2.4
65.03945	2.4
67.05508	30.3
69.03447	4.3
69.07068	8.6
70.58170	1.9
70.58540	2.0
70.98274	0.8
71.04977	2.7
79.05497	54.4
80.05846	1.3
81.03404	2.6
81.07062	21.1
83.04994	4.9
83.08622	13.6
85.02900	1.1
85.06557	1.9
91.05485	32.5
93.07050	41.6
94.07404	1.2
95.04973	9.2
95.08611	25.8
96.08913	1.1
97.06516	2.5
97.10173	15.3
99.04476	1.0
103.05437	1.3
105.06388	1.4
105.07035	15.6
107.04960	100.0
107.08597	30.3
107.09188	0.5
108.05267	2.9
109.06498	5.7
109.10162	23.4
111.04443	2.8
111.08069	1.8
113.06001	1.6
115.05451	1.7
116.06255	0.9
117.07036	11.6
118.08697	0.8
119.04951	2.0
119.08585	40.9
120.08905	1.0
121.06527	2.6
121.10146	12.9
123.08063	2.1
125.09647	9.8
128.06232	1.8
129.07030	5.5
131.08580	10.2
133.06502	3.7
133.10129	6.7
135.08060	49.9
135.11700	3.8
136.08406	1.5
136.33594	0.8
137.09625	25.0
139.11212	1.5
143.08574	6.0
145.10115	12.2
146.10527	1.1
147.04402	3.3
147.08051	14.0
147.11702	3.4
149.09641	5.4
151.11240	1.1
153.09099	1.2
155.10643	5.3
157.10123	5.8
159.08131	1.5
159.11711	4.1
161.09616	8.3
163.11206	3.5
165.09148	9.1
167.10692	1.3
169.10085	1.1
171.11690	4.2
173.09515	1.2
173.11754	10.9
173.13133	2.1
175.11209	3.7
177.09088	3.0
181.12219	1.9
183.10139	3.0
183.11665	1.0
185.13260	2.1
189.11227	5.6
189.12746	1.6
201.11232	1.5
209.13133	1.0
213.16405	2.1
227.17944	3.5
231.17303	1.0
237.16443	1.8
245.19038	4.2
249.18466	5.9
255.17503	5.7
263.20020	2.2
273.18506	34.4
274.18839	2.6
291.19574	24.1
292.19800	1.6
292.22729	2.1
293.21161	2.7
309.20590	3.6
309.24103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1485
Annotation	Ovaliflavanone B
Peak:m/z	Relative Intensity
53.03944	1.1
55.01865	0.6
55.05511	2.6
57.03438	0.6
59.04988	0.3
67.05505	3.3
69.03423	0.8
69.07074	2.1
69.85916	0.4
69.86321	1.1
72.82163	0.2
79.05492	5.1
81.03420	0.6
81.07059	4.3
83.04978	0.9
83.08612	1.5
85.06525	0.3
85.33645	0.2
91.05480	2.6
93.07047	4.6
93.38298	0.2
95.04969	2.0
95.08611	3.5
95.98441	0.2
97.02906	0.3
97.06537	0.7
97.10188	1.9
99.25907	0.2
103.05479	0.9
104.72365	0.2
105.04552	0.3
105.07040	2.3
105.83447	0.3
107.04958	100.0
107.08593	2.4
108.05286	1.4
109.06536	0.5
109.10169	1.7
111.08098	0.5
113.19683	0.3
114.59485	0.3
117.07027	0.9
119.08575	1.6
121.06506	0.8
121.10149	2.5
123.08047	0.6
123.11716	0.8
125.09627	1.7
128.06226	1.2
129.07036	3.9
131.04926	2.2
131.08600	1.2
132.85750	0.4
133.06490	3.2
133.10129	0.8
135.08038	0.6
135.11710	0.5
137.05984	8.2
137.09575	0.5
137.13258	0.4
143.08537	0.6
144.05669	0.5
145.10127	0.5
146.07141	0.3
147.04402	3.2
147.08067	0.8
147.11661	0.7
151.07596	0.3
151.11153	0.4
153.09222	0.3
155.01053	0.3
155.08606	0.5
157.06494	4.2
157.10165	0.6
159.01134	0.3
159.08035	2.3
159.11755	0.3
159.58147	0.3
160.35849	0.3
161.09721	0.5
161.13274	0.4
163.07559	2.4
171.08052	0.7
171.11736	0.3
173.11774	0.3
174.06812	0.5
175.07616	0.7
175.14987	0.3
183.07997	0.3
185.09589	2.8
189.09126	11.5
189.11156	1.0
203.10669	1.6
215.10681	1.0
217.15808	0.4
223.13348	0.3
235.13470	0.3
235.16960	0.3
263.07895	0.3
273.18527	1.0
273.25772	0.4
291.19498	1.6
291.26877	0.4
309.14886	4.1
309.20392	1.9
309.28024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05516	1.4
56.96550	0.4
57.03433	0.4
57.07062	0.5
58.24341	0.2
59.04989	0.8
65.03933	0.7
66.56224	0.2
67.05507	1.3
69.03431	0.6
69.07071	1.6
70.06597	0.3
70.72892	0.7
71.04988	0.4
79.05499	1.1
81.03415	0.7
81.07060	1.9
83.05013	0.3
83.08616	1.1
84.08128	0.7
85.02895	0.8
85.06536	0.5
91.05482	6.2
93.07056	1.3
95.04955	0.5
95.08611	1.4
97.02905	1.8
97.06538	1.1
97.10162	0.3
98.98463	0.6
99.04465	0.2
99.08090	0.3
100.11247	0.8
105.07051	0.6
107.04955	3.4
107.08585	1.0
109.02881	0.3
109.06528	0.4
109.10127	1.1
111.08101	0.4
111.11694	0.3
117.07014	0.3
119.04950	17.0
119.08569	0.8
121.06531	0.4
121.10129	0.7
123.08083	0.5
123.11730	0.5
125.09638	0.5
127.03886	0.6
131.04927	0.3
131.08580	0.3
133.06430	0.3
133.10118	0.3
135.08041	0.3
137.05960	0.8
137.09619	0.4
139.11095	0.3
141.06973	0.2
143.08655	0.3
147.04413	100.0
148.04764	1.9
149.13289	0.4
157.06554	0.4
157.10118	0.4
161.09775	0.3
163.03857	0.3
163.07611	0.2
163.11113	0.2
165.05461	0.5
165.12819	0.3
177.05478	0.3
182.15373	1.2
183.80927	0.2
189.09090	0.3
189.11172	0.2
191.03404	1.3
195.12941	0.2
210.14963	0.5
215.07057	0.3
228.15991	0.2
233.08049	1.0
237.94592	0.3
255.17256	0.2
259.09723	1.2
263.21390	0.3
273.18594	0.5
291.19684	1.0
309.09424	0.7
309.16873	0.4
309.21365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60301	0.2
55.01864	0.5
55.05508	0.6
56.96563	0.2
57.03424	0.5
59.28371	0.2
62.42928	0.2
65.03934	0.8
67.05510	1.0
67.91098	0.2
69.03436	0.4
69.07062	0.4
69.60569	1.5
70.06602	0.2
70.46622	0.2
71.01331	0.3
71.04992	0.3
79.05490	0.6
81.03408	1.1
81.07047	0.7
82.97652	0.2
83.04993	0.4
83.08607	0.3
84.04493	0.5
84.08138	0.3
84.66170	0.2
85.02893	0.7
86.09710	0.6
87.04501	0.2
91.05486	4.7
91.96583	0.2
93.07037	0.7
94.06561	0.2
95.04971	2.1
95.08604	0.5
97.02891	1.2
97.06532	0.5
99.04462	0.4
99.98870	0.2
103.03920	0.4
105.07010	0.6
106.13374	0.2
107.04958	0.7
107.08588	0.4
109.02879	0.5
109.06545	0.4
111.08071	0.2
117.06989	0.4
119.04948	14.8
119.08571	0.3
121.02891	0.2
121.06505	0.5
121.10069	0.4
123.04436	1.2
123.08047	0.3
124.07581	0.4
125.06063	0.2
125.09640	0.2
127.03902	0.6
127.11512	0.2
129.06999	0.2
130.05109	0.2
131.08588	0.4
133.06453	0.2
135.04378	0.2
135.11681	0.2
135.16589	0.2
137.05981	0.5
138.09207	0.3
145.02852	0.5
145.04985	0.2
145.06493	0.3
145.10161	0.3
147.04411	100.0
148.04742	1.5
160.07568	0.3
163.11157	0.4
164.07111	0.2
165.05515	0.9
165.07018	0.2
165.12718	0.2
166.08623	0.3
177.05489	0.8
189.09105	0.3
189.12715	0.3
190.08670	0.5
191.10698	0.3
207.13762	0.4
217.12218	0.2
218.98102	0.3
231.11328	0.3
233.53137	0.2
235.13367	0.9
236.59961	0.2
291.13321	0.3
291.20139	0.2
309.09589	0.8
309.13800	0.4
309.17133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
64.12640	0.1
65.03946	0.4
67.05506	0.4
68.77480	0.1
69.03417	0.2
69.07066	0.3
78.09079	0.1
79.05502	0.2
81.03400	0.2
81.07060	0.8
83.08589	0.2
85.02915	0.1
89.67605	0.1
91.05484	5.0
93.07038	0.5
95.04986	0.1
95.08614	0.4
97.02886	1.3
98.21450	0.2
99.04481	0.1
105.07030	0.2
107.04960	1.1
107.08588	0.3
109.02887	0.1
109.10127	0.2
119.04945	17.2
120.05268	0.3
121.10121	0.2
123.08078	0.1
123.11768	0.2
125.09601	0.2
127.03904	0.3
133.06512	0.1
137.05974	0.1
147.04411	100.0
148.04753	2.0
151.08696	0.1
163.07426	0.1
165.05458	0.5
189.09026	0.1
291.19495	0.2
309.09506	0.5
309.21381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92238	0.2
55.05515	1.7
56.96553	0.3
57.03431	0.7
57.07046	0.2
60.18567	0.2
65.03922	0.4
67.05490	0.6
69.03428	0.7
69.07083	0.5
70.06582	0.3
71.04964	0.7
71.08237	0.3
71.08632	5.3
71.57820	0.3
71.58192	0.3
73.02904	0.4
75.04456	0.2
79.05478	0.4
81.03428	0.7
81.07036	0.8
82.06621	0.3
83.04980	6.4
84.08169	0.6
85.02900	2.4
85.06525	0.3
86.09710	0.3
91.04961	0.4
91.05481	4.1
93.07030	0.4
95.08592	0.5
97.02894	1.5
97.06535	0.8
99.04458	0.5
99.08096	8.4
103.03940	0.5
105.07029	0.4
107.04981	0.4
107.08599	0.5
109.06509	0.3
109.10159	0.5
119.04946	14.7
119.08575	0.5
124.07622	0.3
127.03934	0.6
127.11215	0.8
129.05528	0.3
137.05945	0.7
147.04411	100.0
148.04739	1.9
153.12749	8.8
154.08635	0.4
164.14383	0.2
165.05533	0.7
165.12813	0.3
171.13780	2.3
173.07095	0.3
175.08687	1.3
181.04901	0.3
191.08174	3.7
215.93497	0.3
254.54305	0.2
289.52213	0.2
291.13394	1.7
291.20502	0.3
309.09821	0.6
309.14459	2.3
309.21896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01871	0.8
55.05524	2.3
56.47027	0.5
56.96547	0.7
57.03426	1.8
57.07085	0.5
57.08740	0.4
63.02329	0.4
63.43830	0.4
63.75212	0.5
67.05502	4.6
69.03419	1.8
69.07066	4.6
70.98406	0.4
70.98729	0.8
71.04978	1.1
79.05503	3.0
81.03411	1.4
81.07061	5.2
83.04988	0.6
83.08617	1.3
83.92928	0.4
85.02895	1.9
85.06537	1.1
89.63607	0.4
90.71757	0.4
91.05476	7.5
93.07045	4.0
95.04944	1.5
95.08598	4.8
97.02902	3.3
97.06517	1.2
97.10152	1.7
99.04440	0.5
99.08076	1.0
105.07014	2.2
107.04951	17.3
107.08620	3.0
109.02892	0.6
109.06507	1.1
109.10146	2.4
111.08058	1.1
111.11725	0.9
117.07030	0.7
119.04948	14.8
119.08579	1.6
120.05325	0.4
121.02819	0.6
121.06516	0.5
121.10152	1.8
123.08113	0.8
123.11679	1.4
125.09646	0.8
129.07045	0.9
131.08563	0.7
133.06464	1.4
133.10092	1.6
134.99500	0.6
135.08022	0.8
135.11700	1.2
137.05986	2.9
137.09630	1.4
138.06339	0.8
139.11136	0.5
145.10109	1.3
147.04405	100.0
148.04742	1.7
149.09616	0.5
153.06982	0.9
157.12291	0.6
159.08060	1.0
161.09650	0.5
163.07498	0.5
165.05482	1.1
185.09549	0.7
187.07535	1.0
189.09113	2.1
189.11198	0.9
191.10774	0.6
196.46210	0.5
203.07033	0.6
213.09180	0.9
217.15855	0.7
273.09113	0.8
273.18417	1.5
274.15244	1.6
291.19556	2.4
291.23071	0.8
291.26724	0.5
292.16290	0.8
309.10114	0.9
309.11469	0.6
309.14764	2.6
309.20538	2.7
309.24332	0.7
309.27811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
55.05796	0.7
56.96552	0.9
57.03456	0.9
59.28112	0.8
67.05515	1.5
69.03423	1.7
69.07046	0.9
70.06590	1.1
71.03140	1.5
72.08155	1.5
79.05503	0.9
79.31561	0.7
81.03409	2.2
81.07072	1.8
82.00810	0.7
84.08158	1.7
85.02899	4.2
86.09715	2.3
89.03898	0.8
91.05480	5.4
95.08621	0.9
97.02896	3.6
99.04437	2.3
103.03931	1.0
104.24850	0.8
105.07048	1.4
107.04976	1.1
109.02893	1.7
109.10175	0.9
111.04472	2.3
117.03425	1.1
119.04943	14.9
119.08562	1.2
120.08108	3.1
121.10181	0.9
124.07624	2.3
127.03918	2.9
129.06992	0.9
129.10260	1.0
130.06477	1.0
135.04407	2.2
136.07616	1.2
137.06018	1.0
138.09143	1.1
140.07069	1.4
145.02837	1.8
145.10098	0.9
146.06111	1.0
147.04411	100.0
148.04781	1.1
150.05565	0.9
152.07140	1.7
158.06053	1.6
158.07938	0.9
163.03897	12.4
165.05434	1.3
168.06580	0.8
175.08607	0.9
177.05409	1.2
178.03198	4.5
186.07584	1.6
190.03297	0.8
191.06999	0.9
206.02760	2.3
245.12752	0.9
247.09007	1.5
249.05450	1.0
263.09396	0.9
273.12418	1.5
291.08273	1.0
291.13397	2.0
293.05811	0.8
305.09595	0.7
309.07208	1.3
309.10327	1.3
309.14542	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05487	0.3
56.96555	0.5
65.03936	0.4
67.65473	0.3
68.03553	0.2
69.03416	0.6
69.07053	0.5
70.06584	0.9
71.57504	0.4
72.08157	0.3
72.49524	0.2
75.83363	0.2
81.03413	0.6
81.07051	0.4
84.04530	0.3
84.08154	0.7
85.02907	1.2
86.09702	1.0
91.05482	3.7
93.07052	0.3
95.04944	0.5
95.08573	0.4
97.02893	1.7
105.07059	0.4
107.04907	0.4
109.02840	0.3
109.06487	0.3
111.04479	0.4
116.98658	0.3
119.04942	15.2
119.08566	0.3
120.08101	1.6
121.02908	0.3
123.04436	0.4
124.07601	0.5
127.03906	0.7
134.99660	0.3
135.04393	0.6
136.07512	0.3
137.05878	0.4
138.05511	0.3
147.04407	100.0
148.04793	1.7
151.03952	0.4
158.06024	0.3
163.03928	1.9
165.05447	0.6
166.08626	0.7
177.00693	0.4
177.05374	0.3
214.10872	0.3
225.13634	0.3
243.11484	0.3
273.12344	0.6
290.96112	0.3
291.13382	0.7
309.07227	0.5
309.09680	0.5
309.14795	1.6
309.17908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48804	0.1
55.05505	0.3
56.96552	0.4
57.03445	0.3
61.02934	0.2
65.03937	0.4
67.05502	0.2
69.03415	0.6
69.07069	0.3
70.99124	0.2
71.04997	0.9
71.56699	0.2
79.05499	0.4
81.03432	0.3
81.07059	0.5
83.01389	0.2
83.04981	0.4
85.02905	1.9
86.09698	0.2
88.53786	0.2
90.00919	0.2
91.05488	5.4
93.07063	0.3
95.04977	0.4
95.08617	0.3
97.02892	1.7
97.06525	0.3
97.10181	0.2
98.97564	0.3
98.98464	0.2
99.04458	0.2
104.10712	0.2
105.07031	0.4
106.07328	0.2
107.04946	0.3
107.08519	0.2
109.02891	0.4
109.06561	0.2
111.04449	0.3
111.08098	0.3
116.98590	0.3
119.04946	17.4
119.08591	0.4
120.05282	0.2
121.06559	0.2
121.10135	0.2
122.72168	0.2
123.04450	0.2
127.03931	0.4
129.05426	0.2
136.07677	0.2
137.05975	0.4
137.09624	0.2
137.10736	0.2
143.08585	0.2
146.05984	0.2
147.04414	100.0
148.04750	2.3
152.59332	0.2
157.62689	0.2
161.09654	0.2
163.86945	0.1
165.05479	0.5
165.10321	0.2
165.49480	0.2
171.11725	0.2
177.07780	0.2
181.04965	1.1
184.07362	0.3
222.06485	0.2
237.02921	0.2
248.16522	0.2
260.49402	0.2
263.07214	0.2
287.05527	0.4
291.13611	0.2
309.09763	0.7
309.14484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
54.46439	0.4
55.05502	1.2
56.96555	0.6
57.03418	1.1
65.03937	0.5
67.05490	1.5
67.33662	0.4
69.03428	3.3
69.07059	0.5
69.37470	3.6
70.06557	0.4
71.05000	2.3
71.08621	1.7
73.02906	0.5
76.27825	0.4
77.40646	0.4
79.05479	0.9
81.03420	2.0
81.07047	1.2
83.04959	2.5
84.96039	0.4
85.02905	5.4
91.05476	6.5
93.07040	1.4
95.04971	1.7
95.08588	0.6
97.02888	2.7
97.06514	1.0
98.97535	0.6
99.04453	2.5
99.08080	2.5
103.03940	1.7
105.04349	0.6
105.07023	1.1
107.04943	1.2
107.08533	0.6
109.02887	2.2
109.06507	0.4
111.04432	0.4
115.33730	0.4
116.98618	0.6
119.04945	17.7
119.08569	0.7
121.10161	0.4
121.71244	0.4
123.04409	1.0
127.03911	3.9
128.04218	0.4
129.04338	0.6
129.05460	0.6
129.06943	0.5
130.06560	0.8
131.08585	0.8
133.10161	0.4
135.11661	0.6
137.05998	1.0
145.04973	0.5
147.04408	100.0
148.04761	1.0
151.76328	0.4
153.12677	1.9
163.11169	0.7
164.33827	0.4
165.05516	0.9
171.13756	0.7
173.09523	0.5
174.03450	0.4
175.11134	0.6
177.09416	0.4
219.01956	0.6
227.70605	0.4
235.13260	0.8
237.02803	0.5
287.05466	1.2
309.07092	0.7
309.17123	1.0
327.07492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19292	0.2
54.12504	0.2
57.89977	0.3
65.03922	0.3
68.12529	0.2
69.74567	1.6
72.61639	0.2
78.54107	0.2
79.10785	0.2
85.02914	0.2
91.05484	4.2
97.02880	0.8
104.75716	0.2
105.07024	0.4
109.39137	0.3
119.04950	13.5
120.05294	0.4
127.03960	0.3
147.04416	100.0
148.04755	1.9
165.05502	1.1
288.85516	0.2
303.89630	0.2
309.09601	1.1
309.22058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99701	0.2
53.25883	0.2
54.94127	0.2
57.03441	0.3
65.03931	0.5
69.03415	0.3
70.25569	0.9
71.04979	0.4
78.18797	0.2
81.07068	0.3
82.73762	0.2
83.04996	0.3
85.02888	0.6
91.04972	0.3
91.05486	3.6
95.04978	0.2
97.02889	1.2
98.21428	0.3
106.64289	0.2
119.04948	14.5
120.05312	0.3
127.03938	0.3
147.04413	100.0
148.04750	2.2
165.05534	0.4
181.04962	0.5
186.56381	0.2
219.01720	0.3
231.11250	0.5
287.05753	0.3
302.68054	0.3
308.36411	0.3
309.09918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05495	1.0
56.96583	0.4
57.03424	0.5
57.07083	0.3
67.05496	1.3
69.03414	0.9
69.07070	1.5
70.31989	0.6
70.32394	0.6
71.04987	0.4
75.92719	0.2
79.05482	1.0
81.03392	0.7
81.07063	2.2
83.04978	0.4
83.08604	0.6
85.02897	0.6
85.06535	0.7
91.05478	4.9
93.07050	1.3
94.31416	0.3
95.04958	0.6
95.08597	1.5
97.02884	1.1
97.06547	0.7
97.10167	0.6
99.04432	0.5
99.08096	0.4
100.11239	0.3
100.39396	0.3
105.07021	0.8
107.04955	2.5
107.08575	1.1
109.02908	0.5
109.06541	0.6
109.10145	1.3
111.81728	0.3
117.07037	0.5
119.01875	0.3
119.04947	15.5
119.08532	0.7
121.02876	0.5
121.06513	0.4
121.10138	0.8
123.04397	0.3
123.08035	0.4
123.11674	0.4
125.09621	0.4
127.80914	0.3
129.07042	0.3
130.06483	0.3
133.06450	0.3
133.39523	0.3
135.08099	0.6
137.05981	1.2
137.09583	0.4
137.13245	0.3
138.06392	0.5
142.56825	0.3
145.02820	0.5
145.10161	0.4
147.04411	100.0
148.04724	1.7
149.13239	0.4
151.03888	0.3
163.11255	0.4
165.05470	0.7
191.14468	0.4
197.13211	0.3
235.16817	0.3
249.05670	0.3
273.18491	0.5
274.15167	0.8
291.19604	0.9
309.09790	0.9
309.20868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2218
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.31429	0.2
55.01867	0.4
55.05510	1.5
57.03426	0.3
57.07067	0.6
58.02937	0.3
66.04716	0.2
67.05505	2.3
69.07056	1.0
69.33739	0.3
70.04055	0.3
70.79247	0.7
71.08608	0.8
72.08131	0.2
79.05492	3.2
81.07048	2.8
83.05000	0.3
83.08600	0.8
85.02856	0.3
91.05486	1.6
93.07030	1.6
94.04167	1.6
95.04966	0.7
95.08618	1.5
97.06524	0.3
97.10182	1.1
105.07031	1.0
107.04953	7.4
107.08588	1.3
109.06500	0.7
109.10145	1.7
117.07023	0.6
119.08578	1.7
121.10152	0.8
122.03651	5.7
125.09650	0.9
131.08563	0.5
132.01816	0.3
133.10176	0.5
135.08041	4.2
135.08997	0.4
135.11710	0.4
137.05978	100.0
137.13271	0.6
138.06329	2.3
145.10121	0.6
147.08086	0.5
151.11259	0.4
153.12724	0.3
155.14336	0.3
165.09026	0.4
165.12877	0.4
172.16985	1.6
173.11749	1.8
184.16977	3.4
189.11198	0.4
273.18542	1.8
275.62433	0.6
276.20563	0.3
284.62906	0.3
287.13458	0.4
290.18390	0.3
291.19592	3.8
291.23181	1.0
308.03601	0.3
308.15210	0.3
308.22418	0.7
308.25806	0.6
309.20792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49615	0.3
55.01854	0.5
55.05514	1.6
57.03429	1.5
57.07049	0.4
59.04997	0.8
60.58671	0.3
61.87410	0.3
65.03930	0.5
65.78796	0.3
67.05513	2.0
69.03420	1.1
69.07065	1.0
69.36420	0.3
70.06570	0.3
70.88780	0.4
70.89142	0.9
76.86288	0.3
79.05486	1.3
80.33899	0.3
81.03435	1.7
81.07049	2.2
83.04974	0.6
83.08615	0.5
85.02907	0.9
91.05469	5.5
93.07043	2.4
95.04974	5.6
95.08611	1.1
97.02888	1.2
97.06535	1.1
97.10200	0.6
99.04505	0.4
100.11237	0.6
105.07027	1.3
107.04958	2.1
107.08579	1.2
109.02866	0.8
109.06510	0.8
109.10145	0.8
111.08064	0.5
117.07012	0.7
119.04944	13.5
119.08572	1.3
121.06484	0.4
121.10135	0.8
123.04428	2.6
123.08082	0.5
125.09675	0.6
127.03888	0.6
128.14368	1.6
129.06976	0.8
130.06494	0.4
131.08549	0.6
133.10162	0.7
135.08055	0.5
135.11681	0.6
137.05994	1.2
143.08582	0.4
145.10161	1.6
147.04414	100.0
147.11694	0.5
148.04765	2.5
151.03903	0.5
153.09081	0.6
155.08577	1.4
157.10173	0.5
158.06073	0.3
159.07999	0.4
159.11649	0.5
163.11172	1.1
165.05466	0.8
165.12767	0.3
171.11798	0.4
173.09627	0.6
177.09160	0.4
183.08040	0.5
189.12752	0.5
191.10622	0.5
207.13814	0.9
217.12321	0.4
218.09740	0.4
235.13284	2.7
274.45142	0.4
291.20398	0.6
298.14743	0.4
309.10391	0.4
309.17090	5.4
309.21762	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1857
Annotation	4-Hydroxydendroxine
Peak:m/z	Relative Intensity
50.08717	0.6
53.03941	1.1
55.01859	1.6
55.05505	3.1
56.30650	0.5
56.96554	1.1
57.03429	0.7
67.05506	1.8
68.22295	0.6
69.03432	4.0
69.07050	2.1
70.04085	1.4
70.06585	1.0
71.01330	0.7
71.04970	1.5
71.56699	1.3
72.08127	0.7
73.02893	0.6
76.02203	2.2
76.73291	0.7
79.05469	1.9
81.03398	2.7
81.07053	1.8
82.03732	0.8
83.08601	2.3
84.04487	2.1
85.02914	10.6
86.03227	2.2
86.09675	1.7
91.05466	3.6
93.07026	1.8
94.06548	0.7
95.04967	1.2
95.08601	1.3
97.02908	3.9
97.06528	2.3
98.03241	1.1
98.40223	0.7
98.97575	1.8
99.04455	2.7
100.04763	1.5
101.09615	1.6
103.03938	4.7
103.05469	6.0
104.04270	2.6
105.07036	1.4
107.04975	0.9
109.02862	3.0
110.03226	0.7
115.05383	1.0
116.06300	0.6
116.98622	1.5
117.07047	3.8
119.04951	5.0
119.08620	1.2
121.06496	1.2
123.04430	6.1
124.11228	1.4
127.03937	6.2
128.04250	3.8
129.06993	1.3
129.10303	0.7
131.04936	15.2
131.08609	1.3
133.06497	0.7
134.99648	0.7
136.07547	2.3
137.05978	7.2
145.04959	2.6
145.06496	9.9
146.05257	0.8
147.04420	20.3
149.05988	42.3
151.07552	0.9
157.06483	2.4
157.10117	0.8
159.08037	2.7
161.05995	3.6
162.05476	2.8
163.06175	0.5
163.07536	12.2
164.07106	4.6
165.05498	4.3
165.06830	0.8
166.08604	1.6
171.08070	0.7
173.05939	3.1
175.07567	5.6
176.07031	3.0
177.07857	79.4
177.09084	2.8
178.08527	2.0
179.04686	0.9
180.06534	2.7
187.05992	0.7
187.07489	1.6
188.06432	0.8
189.09067	1.6
209.09666	0.7
214.62329	0.6
217.17354	0.7
221.06030	0.8
226.08768	0.8
231.10107	1.0
237.12717	0.9
246.14923	35.0
247.15132	0.8
248.12717	0.6
255.13835	2.3
273.14853	5.7
276.12341	3.7
290.14163	0.8
290.17523	19.2
291.15930	5.6
308.15048	7.1
308.18549	100.0
309.07645	1.6
309.11383	0.8
309.18817	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01870	3.1
55.05515	17.9
56.96560	2.4
57.03438	13.7
57.07072	2.5
59.04981	2.1
65.03928	2.6
67.05505	24.4
69.07069	17.9
70.18816	7.4
71.04993	20.9
71.08599	2.3
73.06557	100.0
79.05487	19.9
81.07056	28.4
82.07365	1.5
83.04975	13.0
83.08595	7.2
85.06532	4.7
89.06008	2.1
91.04962	2.6
91.05479	36.4
93.07053	27.4
95.04955	6.8
95.08614	17.1
97.06496	4.6
97.10164	3.5
99.04470	2.1
99.08093	23.3
105.06404	1.9
105.07032	34.3
107.04951	8.2
107.08600	17.8
108.05728	11.1
109.05891	1.9
109.06532	19.5
109.10162	8.6
111.04445	6.6
111.08067	2.3
117.06999	7.4
119.08597	34.8
121.02878	1.9
121.06479	6.9
121.10140	13.0
123.08072	56.0
123.11658	3.2
125.05975	2.8
125.09618	6.5
129.07051	2.8
131.08589	8.5
133.10124	19.5
135.08017	4.9
135.11690	8.2
137.05972	21.3
137.09610	9.3
138.06325	17.8
143.08565	3.8
145.06459	1.9
145.10164	9.4
147.08022	3.7
147.11639	13.3
147.56410	1.6
149.09601	3.9
151.11157	6.5
153.12776	1.7
159.08020	2.8
159.11662	6.5
161.09628	3.2
161.13228	5.5
163.07521	2.3
163.11154	6.6
165.12697	5.3
166.13081	4.0
171.11694	1.7
173.09447	2.2
173.13271	4.6
177.12756	3.9
181.12222	2.4
185.13306	2.4
197.13287	2.2
205.15919	1.6
213.14771	2.0
215.14291	1.8
219.17451	4.3
233.15327	6.7
235.16949	2.1
239.17896	2.4
241.17758	1.8
257.18976	3.5
261.18448	6.4
271.16769	5.1
275.20053	27.1
289.17914	12.4
289.21298	3.6
290.21878	4.1
307.19379	2.2
307.22620	56.9
308.23206	1.8
326.52139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03957	3.5
55.01873	5.9
55.05514	22.0
56.96587	2.5
57.03439	37.1
57.07075	5.1
59.04982	3.7
67.05505	44.2
69.03449	2.0
69.07066	21.8
70.04074	2.3
70.23984	10.7
70.24274	2.2
71.04984	2.6
73.06535	3.3
79.05491	60.9
81.03416	4.3
81.07060	56.7
82.07372	2.5
83.04981	8.5
83.08612	16.2
85.06536	15.0
91.04897	2.5
91.05482	59.5
93.07040	74.5
95.04971	10.1
95.08601	39.9
97.06540	15.1
97.10182	8.7
99.08120	3.2
105.04500	2.7
105.07032	69.6
107.04984	11.1
107.08595	63.0
108.05257	2.5
108.29271	2.0
109.06515	23.9
109.10175	9.8
111.08109	5.0
112.90633	2.2
115.05411	4.3
117.07008	16.1
117.07733	2.3
119.07791	4.7
119.08579	52.3
121.02895	2.8
121.06521	6.1
121.10130	20.0
123.08073	10.5
125.09650	9.8
128.06255	2.4
129.07022	11.2
131.08578	26.4
133.06490	2.5
133.10121	32.8
135.08070	7.8
135.11676	12.7
137.05995	9.5
137.09627	7.0
138.06291	6.2
143.08560	12.3
145.10115	26.2
147.08115	3.0
147.11678	25.3
149.09616	17.8
151.11217	5.7
157.10156	9.9
159.11711	31.9
161.09651	5.0
161.13254	20.6
163.11206	8.5
165.12733	2.5
169.10114	4.0
171.11662	4.6
173.13243	15.8
175.11205	8.3
175.14810	12.1
177.12808	2.7
183.11742	4.0
185.13248	35.7
191.14288	6.3
194.11807	5.4
195.12155	5.1
197.13324	4.7
199.14876	2.9
201.16414	9.0
203.12715	3.3
203.14320	29.3
215.14241	3.0
215.18083	3.0
219.17439	81.1
220.17743	2.5
230.03412	2.0
233.15451	2.3
235.16936	37.2
239.17940	12.3
250.17853	3.0
251.18372	9.3
257.18982	29.2
261.08875	2.4
261.18491	3.0
267.70404	2.2
275.07068	5.6
275.20065	100.0
276.20441	4.4
289.18076	9.4
289.21652	33.9
290.21945	3.4
307.09311	2.4
307.19324	4.5
307.22556	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03952	2.4
55.01874	6.7
55.05262	1.9
55.05512	26.1
56.96574	3.3
57.03433	16.7
57.07068	2.9
59.04989	4.4
65.03930	2.1
67.05169	2.6
67.05508	34.6
69.03414	3.6
69.07070	16.7
70.72485	5.0
71.04989	5.4
73.02901	1.4
73.06559	3.5
79.05493	60.3
80.05832	1.7
80.83974	1.4
81.03425	2.6
81.07058	40.0
82.07408	2.0
83.04974	6.2
83.08627	16.0
85.06550	8.9
91.05485	47.7
91.06004	1.7
93.07047	58.3
94.04139	2.0
94.07313	1.9
95.04977	12.7
95.08604	31.5
97.06551	10.7
97.10170	11.6
98.98445	2.4
99.08102	4.5
105.07031	59.5
107.04982	8.2
107.08597	100.0
108.08929	3.0
109.06525	22.2
109.10161	13.6
111.08099	5.5
117.07024	13.1
119.08584	42.8
121.02831	2.0
121.06525	10.5
121.10142	21.8
122.03667	3.5
123.08061	7.9
123.11699	1.7
125.09643	17.5
127.07530	2.0
129.06982	9.3
131.08565	20.2
133.10129	29.2
134.10355	1.7
135.08040	8.8
135.11691	8.6
137.05978	78.0
137.09619	5.1
138.06316	58.3
141.06931	2.8
143.08572	7.4
145.06454	2.3
145.10124	23.6
147.08037	3.7
147.11682	23.9
149.05989	3.5
149.09604	13.1
149.13258	3.8
151.11174	4.6
153.09093	3.7
153.12695	2.1
155.00981	1.7
155.08591	4.3
157.08812	1.6
157.10118	6.9
157.12212	1.9
159.08076	1.8
159.11702	27.1
161.09645	3.3
161.13260	16.3
163.11179	7.5
165.12778	2.6
167.10675	2.4
169.10194	4.3
171.11658	3.9
173.13202	9.2
175.11171	2.3
175.14851	5.3
181.12199	2.2
183.11725	4.4
185.13281	22.7
187.07608	2.3
189.12799	2.0
191.14331	3.3
193.12225	2.3
197.13280	3.0
201.16402	5.8
203.12744	12.0
203.14359	21.0
218.07208	1.6
219.17470	24.3
229.19395	2.6
231.07762	2.0
232.14272	1.6
235.16885	25.9
239.17900	14.3
243.17468	2.0
247.16843	1.8
247.20531	1.8
257.19012	23.6
261.03119	2.3
261.09061	3.8
261.18442	2.7
275.07080	4.5
275.20056	73.0
276.20410	4.2
279.10193	2.0
289.18008	17.9
289.21616	36.6
307.09634	3.6
307.12885	2.8
307.19086	6.3
307.22702	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.18142	4.8
55.01882	14.6
55.05511	17.5
57.03458	5.8
61.23122	5.0
66.37136	5.9
67.05500	27.4
69.07073	20.1
69.27968	65.4
76.92035	5.3
79.05501	26.3
81.07047	42.8
83.08614	12.0
86.48927	6.0
91.05473	29.9
93.07050	28.8
95.04957	12.3
95.08618	27.5
97.06537	16.7
97.10181	6.4
105.07024	28.1
107.05009	5.7
107.08600	22.3
107.09288	6.7
109.06533	12.2
109.10181	13.4
119.08585	18.9
121.06504	18.8
121.10148	12.0
131.08577	16.0
133.10136	22.4
135.11665	6.7
137.05968	9.5
137.09645	6.0
138.06329	7.4
145.10147	18.7
147.11679	15.2
149.09663	8.3
151.11221	8.9
159.11696	7.0
163.11153	11.3
199.47282	5.1
234.20935	5.4
257.19022	15.6
275.20062	100.0
289.18185	7.0
289.21625	8.6
307.22647	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01873	40.2
55.05512	34.3
55.98851	2.0
57.03435	9.7
57.23416	2.1
62.42566	2.5
67.05505	53.0
69.03407	3.9
69.07069	24.9
70.18716	12.3
71.05005	4.5
79.05497	51.2
80.05825	2.9
80.32114	2.3
81.03416	12.8
81.07056	58.0
82.07377	2.4
83.04974	13.9
83.08615	14.9
85.06538	5.1
91.05484	35.6
91.19582	2.7
92.05863	2.4
93.07047	37.2
94.92916	2.3
95.04986	14.9
95.08610	28.2
97.02904	2.3
97.05908	4.4
97.06533	69.2
97.10187	19.3
98.21466	2.6
101.10868	3.2
105.07039	36.5
107.04936	20.7
107.08593	36.8
107.39753	2.2
109.06516	9.7
109.10186	14.5
111.08099	4.1
113.32591	2.2
117.07021	11.4
119.08582	23.7
121.06488	5.1
121.10180	12.6
121.39894	2.3
123.08098	6.2
123.11703	5.6
123.44617	2.9
125.09657	22.6
129.07016	4.0
131.08551	19.4
133.10146	23.6
135.08069	10.2
135.11681	9.1
137.09612	6.9
139.07536	3.5
145.10159	13.3
147.11681	12.5
149.09624	35.0
149.13315	5.3
151.11131	2.9
153.09138	5.6
159.11700	13.4
161.13297	3.4
163.11192	9.0
163.14854	3.3
165.09178	2.6
171.11684	4.9
173.11739	2.6
175.11081	2.9
177.12837	7.3
179.14368	8.6
187.11165	3.3
203.12732	14.9
209.15315	3.7
209.81293	2.4
219.17468	19.4
229.19489	3.2
239.17860	3.0
247.20546	6.7
257.18976	12.3
275.20084	100.0
276.20340	4.0
289.21664	3.3
307.22702	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	3.5
55.01870	12.7
55.05514	29.1
57.03441	19.8
59.04992	2.9
67.05508	52.5
69.03434	5.9
69.07067	20.8
71.04992	10.3
71.32463	5.5
72.80711	2.3
73.06546	4.8
73.49717	2.4
79.05060	3.5
79.05501	48.4
81.03392	5.3
81.07060	56.6
83.04972	9.5
83.08633	19.4
85.06548	9.3
91.05482	54.5
93.07050	53.5
95.04975	15.5
95.08612	41.5
97.06533	21.0
97.10175	15.5
98.98464	4.4
99.08093	3.4
105.07030	55.8
107.04948	11.4
107.08598	64.1
109.06514	19.3
109.10160	21.0
111.08109	7.4
114.60202	2.1
117.07028	17.0
119.08578	38.5
119.09356	3.2
121.02902	4.5
121.06500	6.8
121.10146	20.5
123.08118	11.6
123.11703	4.9
125.09657	11.4
129.07021	6.1
131.08559	24.8
133.10139	31.6
134.42017	2.5
135.08055	11.4
135.11740	6.8
137.05984	5.4
137.09627	5.6
138.06339	3.7
139.61201	2.2
141.07018	2.6
143.08572	9.0
145.10126	23.8
147.07999	4.4
147.11699	23.3
149.09618	25.7
149.13293	4.2
151.11192	5.5
153.09142	3.2
155.08583	3.6
157.10146	6.2
159.11690	25.2
161.13245	11.0
163.11218	9.6
165.12733	6.2
169.10150	3.2
171.11734	3.0
173.09697	3.1
173.13284	9.8
175.11214	3.3
175.14850	4.5
177.12766	6.1
183.11638	3.4
185.13245	11.7
191.14191	3.9
197.13309	3.0
201.16423	2.9
203.12804	9.3
203.14346	9.5
205.15927	2.4
216.08214	2.2
219.17459	35.8
229.19617	5.0
233.15446	3.7
235.13171	2.5
235.16988	7.2
237.20459	2.2
239.17996	8.7
240.11803	2.7
247.20541	5.6
257.18936	20.0
275.20062	100.0
276.20386	6.4
289.18060	6.8
289.21661	17.1
307.19489	4.7
307.22739	35.9
307.28070	13.5
308.22900	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.13626	2.1
53.03942	2.4
55.01887	13.1
55.05511	26.7
57.03435	12.6
57.07065	5.0
59.13182	2.2
62.57644	2.1
65.03949	2.4
67.05179	3.0
67.05510	35.2
69.03415	3.7
69.07070	19.2
70.63081	6.2
70.63415	3.0
71.04984	2.7
71.08629	4.8
79.05069	2.3
79.05500	34.9
80.26260	2.0
81.03412	3.7
81.07063	47.9
83.04977	8.1
83.08606	13.7
85.06541	7.1
89.02165	2.5
91.05476	31.6
93.07052	40.4
93.23315	2.1
95.04971	22.1
95.08617	32.9
97.06535	18.7
97.10166	10.3
98.06068	5.5
99.08076	3.8
105.07027	37.8
107.04958	9.0
107.08601	49.7
109.06528	41.0
109.10160	12.4
111.08082	6.8
113.07363	2.7
117.06990	11.3
119.08579	28.1
121.06498	8.5
121.10166	16.0
123.08046	6.6
123.11721	5.4
125.09633	9.9
128.06226	2.3
129.06990	4.0
131.08591	18.9
133.10144	19.4
133.74297	2.6
135.08041	9.8
135.11745	5.4
135.97084	2.4
137.05968	4.9
137.09628	7.0
143.08546	5.8
145.06517	2.6
145.10127	18.8
147.08018	2.6
147.11716	18.2
149.09602	13.8
149.13135	3.5
151.11206	3.1
153.09116	2.5
153.12813	3.0
157.10146	7.0
159.11697	13.4
161.09671	3.8
161.13242	12.0
163.11142	6.1
165.12766	67.3
171.11726	2.9
173.13213	7.2
175.14932	2.3
177.12758	5.1
179.10809	2.4
179.14346	3.1
185.13268	9.8
191.14287	4.0
203.12715	6.0
203.14375	7.2
219.17453	16.6
229.19502	2.8
233.15179	3.3
235.16951	6.3
239.18011	4.0
247.20598	4.8
251.16399	5.1
257.18924	12.4
261.22217	5.5
275.17273	4.8
275.20108	67.0
276.20395	4.7
289.18396	3.8
289.21597	33.9
293.77386	2.4
307.19437	3.9
307.22696	100.0
307.28131	42.1
308.23126	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.08498	0.6
55.01868	1.6
55.05270	0.6
55.05513	9.3
57.03436	1.7
57.07061	2.5
59.04988	2.8
65.03920	1.0
67.05172	1.2
67.05506	16.6
69.03432	2.0
69.06729	0.7
69.07068	8.9
69.34510	6.9
70.04060	1.2
71.05000	6.5
73.06527	1.1
76.13007	0.6
79.05492	16.0
81.03415	1.6
81.07056	18.7
82.29884	0.8
83.04972	2.9
83.08612	4.0
85.02915	0.8
85.06540	2.1
87.08058	0.8
91.05479	21.7
93.07043	19.1
94.04189	0.9
95.04976	5.1
95.08611	16.1
97.02910	0.7
97.06535	7.7
97.10160	3.5
98.21496	1.9
98.98419	1.1
99.08075	1.2
103.05505	1.5
105.07031	28.0
106.07323	0.9
107.04945	3.9
107.08585	13.0
109.06520	12.6
109.10152	8.5
110.07250	1.1
111.04490	0.9
111.08067	2.8
113.39712	0.6
117.06999	7.0
119.08580	20.6
120.08909	0.8
121.02879	4.0
121.06503	6.3
121.10152	9.7
123.04469	0.8
123.08062	8.6
123.11706	1.5
125.09624	3.7
129.07022	2.4
131.08583	7.7
133.06508	0.8
133.10135	14.4
135.08046	4.8
135.11670	3.6
136.08914	1.0
137.05925	1.3
137.09622	7.6
139.11171	1.0
141.06970	1.3
143.08525	1.5
145.06502	0.8
145.10130	7.6
147.07996	1.7
147.11691	12.6
149.09631	4.2
149.13251	1.9
151.11183	11.7
155.08438	0.9
157.10133	2.2
159.08054	1.4
159.11732	7.1
161.09659	1.0
161.13226	3.4
163.07510	1.6
163.11191	8.2
165.12735	7.7
166.12914	0.8
169.10136	2.2
171.11679	2.2
173.13266	3.9
175.11198	1.5
175.14856	1.4
177.12741	2.4
179.14304	3.1
183.11697	1.5
185.13191	1.1
187.11205	1.1
187.14865	1.1
189.12672	1.2
191.08595	0.6
191.10732	0.9
191.14360	1.7
193.12323	1.0
197.13258	2.8
205.15868	1.2
211.14888	1.2
213.05539	0.9
215.14275	1.0
215.17809	0.9
219.13846	1.4
226.07681	1.1
229.19508	5.0
233.15331	2.3
239.17976	8.8
247.20631	2.9
248.09354	0.9
249.18498	1.2
257.18994	7.5
261.18466	0.9
265.17953	1.1
271.16925	0.9
275.20068	39.4
276.20377	2.4
289.17993	7.1
289.21585	2.0
307.10019	3.3
307.13123	2.2
307.19281	5.6
307.22659	100.0
308.23047	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01876	21.2
55.05270	1.9
55.05511	27.3
57.03428	4.4
57.07024	1.6
67.05169	2.5
67.05505	38.1
69.03436	3.7
69.07074	23.6
70.85432	3.7
71.04990	2.1
79.05493	47.4
81.03410	2.2
81.07052	37.8
83.04975	5.0
83.08619	16.1
85.06522	2.3
91.05484	30.7
93.07040	31.5
95.04964	12.0
95.08606	26.7
97.06528	30.4
97.10176	17.7
98.06029	2.4
105.07030	36.1
107.04944	13.2
107.08594	88.9
108.08946	2.5
109.06516	15.2
109.10162	11.2
111.08088	3.0
115.26440	1.5
117.07006	7.4
117.73609	1.6
119.08584	19.5
121.06496	2.8
121.10123	14.9
123.08036	4.5
123.11695	3.9
125.09637	21.4
131.08565	14.8
133.10129	22.5
135.08073	8.5
135.11714	8.6
137.09598	5.7
139.07576	2.6
143.08525	3.0
145.10129	19.1
147.11696	12.5
149.09607	23.7
149.13293	3.4
151.11182	4.1
153.09096	4.3
157.10112	4.1
159.11673	13.4
161.09535	2.4
161.13257	7.2
163.11212	8.2
165.12738	2.1
169.10109	3.5
171.11700	5.3
173.13243	6.7
175.11165	2.2
177.12680	3.7
181.12267	2.9
183.11714	2.2
185.13263	2.0
187.11119	3.7
187.14850	3.2
197.13286	3.3
203.12779	24.9
205.12238	2.0
219.17439	1.9
229.19545	3.5
239.17975	7.3
247.20526	7.9
251.16518	2.5
254.13812	1.6
257.19031	17.2
275.20047	100.0
276.20337	5.2
284.73874	1.7
289.21646	16.6
293.21054	2.4
307.22717	30.7
307.28198	31.7
308.22885	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.86150	3.4
53.03944	9.6
55.01864	22.6
55.05511	47.2
57.03437	53.8
57.07072	7.7
59.05007	3.6
65.03941	3.6
67.05168	5.5
67.05505	68.2
67.64439	3.0
69.03419	8.0
69.07069	43.7
69.76424	21.5
71.04989	20.2
71.08654	7.2
73.06556	77.1
79.05494	68.0
81.03415	10.4
81.07060	77.2
83.04980	64.9
83.08620	22.9
85.02903	4.4
85.03367	3.4
85.06550	15.9
85.35637	3.5
91.05475	100.0
93.07045	71.5
95.04967	31.2
95.08609	59.1
95.49044	3.3
96.08961	6.7
97.06517	35.1
97.10173	20.9
98.21466	8.0
98.98468	5.7
99.04466	7.2
99.08089	13.7
103.05431	4.9
105.07030	73.4
107.04955	60.3
107.08592	91.3
108.05731	9.5
109.06516	53.8
109.10149	20.2
110.06833	6.3
111.04428	31.8
111.08058	4.3
113.06031	5.2
115.05490	4.8
117.07023	26.3
119.08572	59.9
121.02842	5.5
121.06538	20.1
121.10172	28.3
123.08060	50.5
123.11733	6.6
124.08826	4.7
125.06005	8.0
125.09648	20.3
128.06267	5.7
129.07005	10.0
131.08566	32.7
133.06534	6.7
133.10135	45.5
134.10416	5.6
135.08047	22.6
135.11682	14.8
137.05980	74.9
137.09625	18.1
138.06300	54.7
138.07303	5.5
138.09962	4.8
140.86726	3.1
141.06981	4.3
142.07797	3.5
143.08560	11.0
145.06491	10.4
145.10129	33.5
147.08076	8.1
147.11674	27.2
149.06039	7.8
149.09602	22.0
149.13249	6.4
151.07538	4.4
151.11198	12.9
153.09024	4.7
155.08562	10.8
157.10124	9.3
159.08008	16.3
159.11719	18.5
161.09662	11.9
161.13312	11.0
163.07607	5.6
163.11180	14.6
165.09126	5.0
165.12776	25.4
166.13060	28.5
169.10185	10.3
171.11673	14.1
173.09581	3.6
173.13287	7.8
175.07564	5.7
175.11156	6.7
177.09122	5.1
177.12746	17.8
181.12239	5.2
185.13382	4.3
187.11186	8.3
187.14850	3.8
189.12834	4.9
191.14180	5.8
192.14674	8.7
197.13255	4.6
199.14864	5.5
201.09377	4.4
203.12729	5.7
203.14485	4.0
205.15968	11.6
211.96974	3.2
215.14357	12.0
219.08145	4.0
219.17395	7.7
229.19450	5.5
233.15395	36.1
239.17944	7.8
243.17386	14.5
247.20412	4.3
247.32356	3.4
253.15985	4.2
257.18985	14.3
261.05624	4.1
261.18475	24.1
262.22488	3.8
271.16888	19.4
275.07071	8.2
275.20065	95.6
279.06662	3.7
279.10135	4.0
289.18073	65.8
289.21579	9.8
290.21924	39.9
307.09738	6.7
307.22623	58.2
307.25098	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01866	7.7
55.05516	21.1
56.96558	12.8
57.03435	17.8
57.07071	3.6
67.05511	27.7
69.03423	19.4
69.07070	38.3
69.54298	28.9
71.04990	11.6
76.98640	3.0
79.05502	24.5
81.03418	50.2
81.07059	44.6
83.04974	4.1
83.08611	10.8
85.02904	28.1
85.06531	10.4
91.05469	26.1
93.07048	31.2
94.06620	3.3
95.04977	35.6
95.08609	37.8
97.02894	12.5
97.06527	24.2
97.10178	13.7
99.04447	10.1
103.03955	20.1
105.07053	18.3
107.04958	100.0
107.08604	19.8
109.02892	10.8
109.06522	18.2
109.10177	16.4
111.04469	4.3
111.08074	5.4
113.06001	9.6
117.07052	12.9
119.08586	23.8
121.06502	42.0
121.10146	12.7
123.08081	14.3
123.11730	8.0
125.09628	7.7
127.03920	29.8
129.07011	11.4
131.08580	13.1
133.06491	6.0
133.10165	12.8
135.08086	19.0
135.11729	5.7
137.05963	16.8
137.09616	6.8
139.07526	4.1
139.11172	5.7
143.00191	6.8
143.08540	6.0
143.39600	3.6
145.04988	6.5
145.06508	5.1
145.10135	8.1
147.08072	9.6
147.11668	4.9
149.06020	6.4
149.09538	3.8
149.13332	3.7
151.03941	3.6
151.07559	5.4
153.05460	5.8
153.09166	3.9
155.08586	4.0
157.06500	3.2
157.10191	8.2
157.44028	3.4
159.08046	8.7
159.11667	7.4
161.01225	11.8
163.03911	12.4
163.07536	5.6
163.11150	3.5
165.09116	38.5
171.11671	8.2
173.02336	3.6
173.09657	7.0
173.13188	3.8
174.21503	3.0
175.11191	8.9
175.14777	3.3
185.01231	7.1
187.05960	5.8
189.07037	4.1
189.12674	4.8
191.10698	8.6
192.07802	4.2
193.08611	6.3
199.11148	8.9
205.06830	7.6
215.06924	4.4
215.10794	4.6
217.12300	7.7
233.06026	8.4
233.11769	4.8
233.15390	18.7
235.13249	51.5
254.06300	8.7
259.09686	15.5
261.05524	29.7
265.57028	4.4
267.03906	4.3
271.17014	8.8
273.14960	7.9
279.06638	4.7
285.04941	9.8
289.05057	17.5
289.14536	9.1
289.17981	40.2
290.17935	4.3
307.05969	16.5
307.18988	15.4
307.26373	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.10836	2.6
50.91700	2.8
53.03944	2.8
55.01870	11.9
55.05510	30.2
56.96554	4.1
57.03436	30.0
67.05498	29.1
69.07070	8.1
70.12380	12.8
79.05497	28.0
81.03421	3.9
81.07053	20.0
83.04973	3.6
83.08613	10.8
91.05486	19.3
93.07053	19.7
95.04973	8.5
95.08602	8.4
96.00470	2.3
97.06551	2.8
97.10184	19.6
103.05480	2.9
105.03366	2.8
105.07030	13.8
106.66260	2.4
107.04973	18.4
107.08595	22.6
109.06524	10.5
109.10166	10.3
115.05500	3.7
117.07025	14.5
119.08594	12.6
121.06522	15.5
121.10178	5.8
123.04421	2.4
123.08064	3.9
125.09656	17.5
131.04979	2.9
131.08574	9.7
133.06487	2.5
133.10152	7.2
135.08073	15.4
137.09605	5.3
143.08603	3.1
144.05853	3.3
145.06476	6.4
145.10114	6.6
147.08066	7.2
147.10620	2.2
147.11731	3.6
149.05977	13.1
149.09659	6.0
153.09149	4.5
155.08594	4.5
157.10150	5.1
159.08060	40.6
159.11664	3.7
161.09566	4.9
163.07576	6.5
167.08546	2.6
168.09447	2.8
169.10104	3.4
171.11687	5.7
173.09657	6.3
173.13268	3.0
177.09070	5.3
185.09598	6.5
187.14880	3.7
189.11192	7.7
197.13188	2.7
199.11369	2.6
199.14790	2.7
215.08650	4.1
215.14296	9.5
225.16473	3.4
231.08020	3.0
233.15331	16.4
243.08055	14.3
243.17453	7.0
253.15756	12.8
261.08954	3.7
261.18600	4.0
271.07608	9.5
271.16971	36.8
275.07092	5.7
289.08582	43.5
289.17960	100.0
290.18427	4.0
307.08789	17.2
307.20404	7.0
308.05835	19.7
327.03229	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.02391	2.4
53.03957	11.6
55.01863	8.6
55.05508	27.0
56.96558	4.0
57.03450	12.8
65.03933	4.3
67.05508	38.5
68.67532	1.7
69.03442	4.8
69.07059	13.7
70.93266	6.0
71.04984	7.8
77.03910	2.2
79.05493	31.8
81.03412	12.8
81.07056	42.1
83.04977	12.8
83.08627	13.6
85.02908	2.4
85.06509	3.7
91.05482	69.0
93.07046	100.0
95.04974	38.1
95.08609	25.6
97.06519	5.8
97.10163	15.6
98.50944	1.7
98.51571	2.3
98.98505	2.7
99.04429	3.8
103.05481	17.3
105.04514	4.1
105.07037	28.2
107.04964	30.1
107.08597	22.0
109.02863	3.2
109.06532	10.3
109.10151	13.8
111.04411	3.6
111.08080	6.1
113.06010	3.2
115.05444	3.3
117.07021	12.4
119.04958	2.5
119.08588	20.3
121.02869	27.2
121.06506	100.0
121.10131	14.7
122.06892	2.2
123.04424	4.1
123.08059	8.0
123.11700	2.8
125.09646	11.3
127.03907	2.0
128.06229	2.8
129.07014	6.1
131.08571	16.6
133.06494	16.2
133.10095	11.1
135.04431	3.3
135.08060	19.9
135.11720	5.4
137.05946	7.0
137.09596	12.7
141.06960	2.4
143.08586	4.9
144.05652	1.9
145.06468	6.6
145.10107	10.0
147.04608	2.1
147.08046	9.1
147.11688	3.7
149.05977	5.9
149.09631	11.7
151.07507	6.3
151.11107	2.2
153.09167	4.5
153.40472	1.9
153.47041	2.1
155.00993	2.1
155.08496	4.8
157.10114	4.5
159.08049	10.7
159.11723	3.4
161.09645	6.4
161.13185	2.1
163.07539	32.1
163.11172	3.9
165.09094	3.0
167.10699	5.1
169.10103	3.1
171.08121	2.7
171.11720	4.6
173.09631	8.5
173.13225	4.2
175.07463	2.4
175.11168	4.0
177.09114	5.3
177.12704	1.9
183.11671	2.2
187.11183	3.9
189.11229	5.4
189.12779	2.7
191.10640	2.9
191.14459	2.2
193.12268	3.2
199.01950	2.2
199.11194	3.0
215.14366	2.3
217.12128	2.5
219.13641	2.6
225.16304	3.3
233.15385	10.1
235.13226	4.5
243.17404	6.3
245.08537	3.9
247.17010	3.3
253.15881	4.0
261.09125	2.7
261.18445	9.8
263.07193	2.7
266.53833	2.1
271.16937	14.0
275.19836	2.1
279.10129	2.2
289.17993	73.4
307.09579	6.7
307.13174	5.3
307.19031	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	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29359	1.5
53.03950	3.0
55.01868	8.1
55.05510	34.2
56.05024	1.5
56.96563	1.7
57.03441	13.9
57.07072	2.8
60.92378	1.4
67.05509	23.5
69.03413	6.2
69.07065	12.7
70.04056	1.4
71.04977	4.7
79.05494	26.4
79.15047	1.5
80.90781	1.6
81.03408	4.8
81.07056	26.8
83.04976	7.1
83.08618	19.4
85.02900	3.1
85.06545	3.1
88.07607	4.6
91.05479	26.4
93.07041	16.2
94.18980	1.5
95.04970	22.9
95.08588	13.5
97.06556	7.8
97.10168	26.7
98.20800	4.7
98.98441	2.7
105.03393	3.6
105.07042	9.2
107.04956	17.0
107.08594	19.8
109.02895	2.5
109.06522	8.3
109.10148	9.3
111.04476	2.8
111.08076	2.5
117.07046	11.7
119.08579	25.0
121.06506	31.3
121.10161	5.6
123.04411	3.4
123.08067	3.7
123.11644	2.4
125.09631	26.0
127.03925	2.2
128.06200	2.3
129.06993	5.2
131.04938	1.6
131.08585	7.4
131.93643	1.5
133.06493	5.0
133.10117	3.2
135.04425	2.8
135.08054	14.3
135.11646	2.3
137.05925	3.5
137.09622	6.2
139.07631	1.7
141.06982	7.4
142.07704	1.9
143.08553	4.1
145.06470	3.9
145.10081	7.2
147.08061	3.8
149.06027	2.7
149.09602	2.9
149.13348	1.6
153.09102	5.1
155.00961	1.8
157.10062	2.1
159.08064	17.2
159.11629	2.9
161.09651	4.1
163.07558	10.0
163.11241	2.5
169.06493	3.1
169.10101	2.4
171.10223	1.6
171.11734	2.4
172.05182	2.4
173.09599	4.3
175.11107	2.1
177.09114	6.6
185.09671	1.5
187.07544	25.1
187.11276	2.0
189.06976	2.4
189.11217	15.7
189.12773	2.6
191.08546	2.0
197.06081	2.5
201.05405	1.9
203.08551	2.3
204.08861	1.7
213.07019	2.9
213.12802	2.2
214.07275	2.5
215.07472	5.0
215.14270	1.9
215.22102	4.2
216.07858	3.6
217.06381	2.4
218.07294	12.2
219.07933	3.0
219.13817	7.3
222.06715	2.7
225.16295	1.7
229.08534	5.4
229.10204	5.6
231.08073	3.3
231.13766	10.2
233.08821	3.6
233.15363	7.6
235.13216	2.5
237.09175	9.4
238.09349	1.9
243.07254	4.6
243.17346	3.5
246.06786	5.6
249.09096	2.7
251.09732	4.5
253.15892	4.2
259.24762	2.8
261.05618	1.8
261.08948	7.7
261.18512	7.7
263.10632	5.1
264.07767	3.3
265.12234	3.4
271.16885	15.6
275.10666	3.0
279.10199	25.8
289.08618	33.5
289.11877	3.4
289.17978	51.2
290.09094	2.0
307.08728	100.0
307.12961	5.3
307.18973	24.1
307.26636	26.0
308.09109	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	307.1329
Annotation	Anthrasesamone A
Peak:m/z	Relative Intensity
53.03944	5.9
55.01860	9.4
55.05517	11.8
57.03425	9.9
64.64886	1.9
65.03931	4.1
67.05507	27.0
69.03424	4.4
69.07072	12.5
71.04989	9.5
71.59776	2.8
79.05493	28.9
81.03424	4.2
81.07057	39.9
83.04961	8.0
83.08613	6.8
86.82678	2.3
91.05480	100.0
93.07050	29.9
93.76815	2.3
95.04969	31.1
95.08618	21.3
97.06541	18.0
97.10175	4.7
103.05443	3.6
105.03365	2.7
105.07031	50.2
105.30693	2.4
107.04964	18.1
107.08611	24.3
109.06506	17.0
109.10168	9.1
111.04387	2.5
111.08086	3.5
115.05442	7.3
116.06255	3.1
117.07023	16.0
119.08583	44.4
121.02866	5.3
121.06493	9.9
121.10117	11.9
123.08056	4.2
123.10001	2.1
125.09647	5.1
128.06206	13.2
129.07011	20.7
129.34094	1.9
130.07776	4.5
131.04950	2.9
131.08571	29.8
133.06483	5.2
133.10135	60.8
135.08055	8.1
135.11673	3.1
137.05978	6.0
137.09613	6.0
141.06989	25.4
142.07773	16.2
143.08571	39.3
144.05708	2.8
144.09317	9.1
145.06491	7.1
145.10132	28.8
147.08029	9.7
147.11655	10.5
149.09602	8.5
149.13170	3.5
149.17316	1.9
153.06955	3.6
154.07761	6.5
155.01091	2.8
155.08575	9.2
156.09351	13.5
157.06544	2.7
157.10135	30.5
158.10936	10.5
159.08075	9.6
159.11691	25.4
161.09608	8.0
161.13318	3.3
163.07498	6.4
163.11179	4.9
165.06990	7.2
165.09129	5.1
166.07774	3.6
167.08548	14.5
168.09341	4.6
169.06491	40.7
169.10127	27.0
170.10931	3.9
171.11647	16.0
172.05159	4.9
173.06023	13.2
173.09618	4.9
173.13306	15.0
174.06776	4.3
175.11118	3.3
179.08511	7.5
180.09332	5.8
181.10088	15.0
182.10904	16.1
183.11673	14.3
184.12418	3.4
185.09708	3.0
185.13222	5.4
186.06776	5.0
187.07555	22.2
187.11156	7.9
190.07677	3.9
191.08502	6.3
192.09354	8.3
193.10139	16.6
194.10970	7.6
195.11717	12.3
196.12454	7.4
197.13245	25.5
199.14842	8.0
201.05470	87.2
201.09120	10.4
202.07739	4.2
202.22694	2.4
203.08546	10.9
204.09332	9.2
205.10164	21.5
206.10878	10.3
207.11708	18.3
208.12434	9.3
209.13220	20.1
211.14795	10.8
214.06203	5.0
215.06992	20.7
215.08694	3.7
215.14229	4.4
216.07803	94.0
217.08180	4.3
217.10126	5.7
218.07301	4.4
218.10939	6.0
219.08026	8.8
219.11664	7.8
219.17337	2.7
220.08794	20.8
220.12425	7.2
221.13228	22.4
222.14079	4.5
223.14784	15.3
227.14240	4.1
228.09351	12.5
229.08525	66.0
229.10181	60.6
230.10802	4.0
231.08041	14.1
231.11607	5.2
232.08688	3.0
232.12498	5.8
233.09613	12.0
233.13278	15.1
233.15317	3.3
234.14005	9.1
235.14774	6.2
236.15451	4.6
237.09132	5.7
237.12750	2.9
237.16400	7.6
239.08475	3.1
244.12405	5.4
245.13214	6.1
246.14001	4.8
247.07597	7.1
247.11171	6.7
247.14819	8.0
248.08394	10.8
248.15565	6.4
249.16385	5.3
250.09634	3.0
251.14268	9.1
251.18044	2.4
257.07141	1.5
257.09622	36.4
259.14850	8.5
261.09070	3.0
261.18558	3.9
263.07797	3.8
263.10666	69.4
263.18082	12.4
264.10977	4.0
265.12234	29.0
265.15503	2.9
271.16791	5.8
274.17203	9.6
275.07080	14.9
275.10654	85.2
275.20090	19.0
276.10901	2.4
279.10199	12.1
279.12985	2.7
279.20996	3.0
289.08517	7.0
289.12234	33.7
289.18100	28.8
307.09283	13.0
307.13248	62.7
307.20593	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
53.27099	1.7
55.01870	5.1
55.05508	11.3
57.03438	7.9
57.07065	2.3
61.02950	2.5
67.05508	12.8
69.03075	3.2
69.03430	41.2
69.07069	10.1
69.81198	2.0
71.04997	11.0
71.59309	2.3
73.02917	4.0
79.05486	13.5
81.03422	36.2
81.07060	21.9
83.04967	5.8
83.08645	6.2
85.02905	81.6
91.05463	9.9
93.07056	10.8
95.04982	7.5
95.08612	17.5
97.02896	32.2
97.06544	4.9
97.10166	5.8
98.98465	2.1
99.04456	38.7
103.03944	80.4
105.07021	8.8
107.04915	4.5
107.08606	9.6
109.02879	26.8
109.06525	4.8
109.10156	10.2
111.08067	3.3
115.03979	2.3
117.07034	2.5
119.08604	7.1
121.06506	10.6
121.10152	7.3
123.08080	4.7
123.11730	3.2
125.09627	4.0
127.03921	100.0
131.08569	5.2
133.10130	2.9
135.08057	4.8
135.11670	4.4
135.17215	1.8
137.05997	6.3
137.09662	2.3
138.06319	2.9
139.03943	2.1
139.11212	2.4
140.11534	2.7
145.04959	26.2
145.10239	2.8
147.08078	2.5
147.11623	3.1
151.07617	2.7
159.08093	9.8
163.06044	5.4
163.07420	2.3
171.11630	2.2
173.09572	2.5
175.11150	2.5
187.06013	24.3
187.07507	3.0
193.08690	2.2
205.07097	15.0
205.10004	2.4
215.08591	6.2
218.07262	2.2
233.09578	20.9
233.15407	4.4
243.08028	16.8
253.15823	2.7
261.09103	15.5
261.18567	3.2
271.07553	29.1
271.16846	3.5
275.20169	2.0
289.08807	6.1
289.14755	3.3
289.18036	12.7
307.09879	4.9
307.13464	3.3
307.18948	10.9
307.26367	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	307.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01863	2.8
55.05495	2.3
56.96560	2.5
57.03447	5.4
58.99569	2.9
61.02917	3.8
67.05488	1.7
69.03429	28.4
69.07061	2.8
70.93137	2.2
70.93487	1.7
71.05001	7.9
73.02904	3.2
76.01874	1.1
76.02238	10.8
79.05503	3.0
81.03424	29.8
81.07058	5.3
83.04986	1.4
84.04507	5.2
85.02908	79.2
85.06516	1.0
86.03225	1.3
87.04461	1.5
91.05482	4.6
92.05815	1.2
93.07026	2.7
95.08607	3.1
96.15182	1.0
97.02892	24.5
97.03508	1.3
97.06523	2.6
98.68879	1.0
98.97588	1.8
98.98481	1.5
99.04456	43.1
100.04790	1.0
100.11274	1.8
103.03946	79.8
103.23260	0.9
105.07021	3.5
107.04950	1.5
107.08573	3.9
109.02885	24.5
109.06516	1.3
109.10167	3.2
114.09191	1.4
115.03922	1.5
116.01662	2.7
116.98642	1.7
119.04974	2.4
119.08602	1.8
121.06515	1.0
121.10142	3.0
122.06013	1.2
127.03921	100.0
128.04231	1.8
128.51828	1.2
130.05014	2.6
131.08582	1.6
133.10130	2.4
134.99660	1.2
135.08008	1.5
136.07564	1.5
137.05954	2.1
142.03217	1.9
143.08551	1.3
144.01112	1.2
145.04961	30.7
145.10193	1.3
147.04396	4.0
148.04759	1.6
155.01093	1.1
159.08057	1.1
159.11702	1.8
161.01213	1.3
161.05913	1.4
162.02216	4.2
163.06030	7.2
163.11221	1.6
179.04878	8.0
187.06035	17.9
187.07570	1.5
191.08228	1.8
201.00749	1.0
205.07077	11.7
210.14716	1.0
233.05876	2.6
235.07576	1.3
263.07089	1.3
271.08078	3.6
279.13824	1.4
289.08658	1.4
289.16144	1.8
290.14102	1.4
307.09952	1.7
307.13257	5.5
307.17029	4.6
307.26364	1.7
308.09122	2.0
319.45517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82116	1.1
51.07777	1.1
53.03937	5.3
55.01862	3.4
55.05498	2.9
56.96580	1.7
57.03432	5.6
61.02919	4.2
67.05497	2.7
68.84508	1.1
69.03081	2.0
69.03429	31.6
69.07064	2.3
70.06569	1.6
70.87724	2.4
70.88094	2.3
71.04990	7.4
71.72600	1.3
73.02897	3.9
78.17563	1.2
79.05495	2.6
81.03419	28.8
81.07060	2.9
83.04949	1.7
84.04482	2.3
85.02907	83.8
87.04494	1.5
91.03958	1.4
91.05482	5.0
93.07037	2.9
95.04945	4.4
95.08613	2.7
97.02897	24.7
97.06541	9.4
98.97573	1.9
99.04456	45.4
101.02381	1.2
103.03945	84.3
105.07005	4.0
107.04954	2.5
107.08601	2.7
109.02877	24.4
109.06485	1.5
115.04008	1.6
115.05491	1.6
116.07055	1.3
116.98643	1.4
117.07038	2.6
119.01946	1.3
119.04959	1.9
119.08537	1.7
121.06474	1.9
121.10147	1.4
127.03916	100.0
128.04242	1.9
130.04961	1.4
130.06528	5.7
131.04968	2.1
131.08517	3.1
132.04469	2.4
133.10162	2.6
134.99603	2.1
135.04407	1.1
136.05237	1.1
137.05986	5.2
139.03882	1.2
143.01999	1.6
145.04951	29.3
147.04366	1.4
147.11684	2.7
148.07570	1.3
149.05949	2.8
152.07115	1.8
155.03355	1.7
157.07625	6.6
158.06023	6.7
159.06432	1.1
159.08185	1.2
163.03896	1.8
163.06088	10.1
173.13321	1.4
175.08672	4.8
176.07066	3.4
177.05579	1.5
177.07704	3.7
177.09160	1.5
187.06023	18.4
191.08160	3.2
203.03920	1.2
205.07085	8.8
205.10051	1.4
242.19408	1.2
244.21141	1.2
246.14922	1.4
247.07509	1.3
261.08759	4.9
262.14197	1.3
271.08130	2.9
271.10825	2.3
272.12762	2.4
276.79431	1.4
289.08658	2.2
289.11890	3.5
289.15845	4.1
290.13800	2.4
307.10062	2.7
307.13150	3.7
307.16943	9.8
307.22610	1.8
308.14883	1.9
308.18362	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.3
53.03949	6.9
55.01868	2.9
57.03424	4.6
60.04495	1.5
61.02916	2.9
67.04530	1.2
67.05484	1.7
69.03431	23.6
70.06583	1.9
71.04989	5.3
71.57502	2.0
73.02919	4.3
81.03417	24.7
83.04958	2.4
84.04485	1.8
85.02903	71.8
87.00838	3.8
95.04965	2.2
97.02898	19.6
98.98480	2.2
99.04456	37.8
103.03940	71.7
105.03500	1.3
105.63971	1.4
109.02885	19.9
117.07018	1.9
120.01202	2.2
123.04410	6.7
123.11788	1.3
126.68793	1.3
127.03918	95.2
130.06528	89.4
131.06886	2.0
132.04442	26.8
135.04422	2.4
137.05948	2.9
143.08627	1.4
145.04965	29.6
146.06030	6.9
147.04388	1.8
151.03976	1.3
157.07619	80.5
158.06015	100.0
159.06383	3.6
163.03926	8.0
163.05998	8.3
173.07138	3.5
175.08673	49.5
176.07108	2.0
179.03401	2.3
187.06042	13.9
199.08719	2.2
201.06583	7.2
203.08109	7.2
205.07095	8.9
218.08420	2.6
221.09206	4.5
225.06604	1.6
243.07643	11.0
247.07149	4.3
261.08719	53.8
262.09009	2.1
271.07874	2.3
289.08237	15.1
299.10321	1.5
307.09195	7.6
307.13016	7.3
307.16348	2.0
326.18564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01855	1.7
55.05495	1.2
56.96555	0.9
57.03436	3.9
60.04545	0.7
61.02929	3.3
61.91464	0.6
67.05507	1.2
67.52972	0.8
69.03430	28.1
69.07042	0.8
70.06584	1.4
71.01336	0.8
71.04996	5.3
71.58189	1.3
73.02926	3.9
76.02211	1.1
76.20004	0.7
79.05492	1.0
81.03419	24.6
81.07030	1.7
83.04978	0.9
84.04493	1.6
84.08166	1.1
85.02905	74.3
86.03241	1.3
86.09694	1.0
87.04470	1.3
91.03957	1.1
91.05472	1.2
93.07032	1.2
95.08595	1.5
97.02894	21.6
97.03516	1.2
97.06544	0.8
98.98467	1.1
99.04454	42.8
103.03941	88.4
104.04279	0.9
105.07054	1.0
109.02882	22.5
114.79998	0.7
115.03935	0.7
123.04412	0.8
125.09637	0.7
127.03915	100.0
128.04272	1.4
130.04987	0.8
130.06508	3.2
131.04958	0.7
137.05960	1.9
139.03883	1.1
145.04962	30.6
147.04433	0.9
149.09592	0.7
155.01070	0.9
157.07637	2.7
158.06026	2.8
159.11795	0.8
163.06029	10.6
163.07358	0.8
175.08638	2.3
187.06020	15.7
205.07065	10.0
261.08652	1.6
261.12390	1.6
271.08099	2.9
271.13513	0.8
272.09146	0.8
289.09055	1.5
289.12091	1.0
289.15335	1.0
307.13123	3.6
307.16342	1.2
307.20074	1.2
307.25562	1.1
310.91293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63921	0.8
53.03944	6.2
55.01870	1.6
55.05513	0.9
57.03442	4.1
61.02924	3.7
67.05490	1.1
69.03428	26.3
71.04987	7.1
71.59169	1.3
73.02921	4.6
79.05471	1.7
81.03419	24.8
81.07079	1.1
85.02904	79.6
86.03247	0.9
87.04475	1.6
91.03970	1.3
91.05482	2.5
93.07026	0.9
95.04971	1.0
97.02892	25.4
97.06538	6.0
99.04456	43.1
101.02380	0.9
103.03942	85.2
105.07042	0.9
107.04931	0.8
109.02882	19.7
109.06510	0.9
115.04012	0.9
116.98674	0.9
117.06938	0.8
120.01464	0.7
124.07600	0.9
127.03918	100.0
128.04274	2.2
130.06537	2.0
133.10182	1.0
137.06013	1.9
139.03897	1.3
145.04958	32.3
147.04405	1.4
152.07094	1.2
157.07643	2.4
158.06032	3.0
163.06027	10.0
175.08679	1.2
186.05304	1.0
187.06020	14.3
194.20229	0.8
205.07082	8.9
233.01717	0.8
235.67690	0.8
261.08771	1.7
263.06989	1.3
271.08109	3.1
289.08749	2.2
289.15927	2.4
290.13947	1.7
307.06027	4.0
307.09662	1.6
307.13666	0.9
307.16919	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	307.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
55.05482	1.0
55.05711	0.2
57.03425	0.4
67.05482	1.0
69.07063	0.4
70.54787	0.5
70.55139	0.6
75.93514	0.2
79.05493	1.2
79.85245	0.2
81.03387	0.3
81.07061	1.2
83.04953	0.8
83.08613	0.6
85.06580	0.2
86.79382	0.2
88.83192	0.2
90.42065	0.3
91.05453	0.9
93.07047	1.2
95.04946	0.3
95.08582	0.6
97.06522	0.6
97.10149	0.5
98.21657	0.3
98.98440	0.3
105.07002	0.8
105.09127	0.2
107.04929	1.0
107.08584	1.2
109.06491	0.9
109.10151	0.4
111.04447	0.4
117.06950	0.5
119.08570	0.5
121.02871	0.4
121.06485	1.0
121.10188	0.3
123.08065	0.5
125.09619	0.5
131.08527	0.8
133.10126	0.5
135.08035	0.3
135.11662	0.4
137.09644	0.3
145.10107	0.3
147.11728	0.5
149.09515	0.3
159.11685	0.4
163.07550	0.8
163.11206	0.3
165.06984	0.3
167.08604	0.4
169.04941	0.2
177.06966	0.7
181.06520	1.4
189.07013	1.1
190.07785	2.9
191.08574	9.3
192.08977	0.3
195.08069	1.0
196.85396	0.3
200.06137	0.3
201.06966	1.2
202.07787	4.7
203.08582	2.8
203.12735	0.3
205.06499	1.5
218.05144	0.3
218.07288	5.2
219.08067	11.1
219.13849	0.6
220.08679	0.7
223.07535	3.3
224.52386	0.2
229.06503	1.3
229.08026	0.6
230.06996	0.4
231.08072	20.8
232.08371	1.1
233.05981	1.9
233.15369	0.4
237.09103	3.8
245.06010	0.9
246.06650	0.6
247.07564	49.4
248.07903	2.1
249.05504	0.5
257.06006	3.0
260.04752	0.6
261.18558	0.3
264.06696	0.2
275.07043	100.0
275.20053	1.2
276.07391	4.0
279.10193	1.2
289.18002	1.9
297.33255	0.3
307.09192	0.5
307.13147	0.2
307.18942	0.9
307.22714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01865	5.8
55.05515	13.3
57.03426	3.0
57.07074	3.7
59.05001	26.5
60.09695	2.3
67.05502	16.3
69.07059	4.7
70.19238	8.7
71.63076	2.0
79.05479	12.9
81.03403	3.5
81.07063	18.5
83.04985	13.3
83.08620	7.5
85.06519	2.1
91.04966	3.0
91.05482	32.0
93.07033	8.1
95.04971	5.3
95.08598	11.3
97.06522	2.5
97.10146	6.6
98.98476	3.6
99.04485	2.3
103.13414	1.9
105.07050	10.1
107.04946	5.2
107.08594	12.6
109.02875	2.9
109.06525	6.0
109.10130	7.4
111.04440	11.0
115.11195	3.7
117.07000	4.4
119.08589	10.7
121.02854	4.1
121.06486	3.8
121.10134	6.8
123.08035	4.5
125.09615	7.2
129.07014	3.3
131.08562	5.9
133.10103	5.4
135.08044	4.6
135.11656	2.9
137.06015	4.2
141.07010	22.4
143.08566	2.5
144.05682	6.2
145.06427	3.0
145.10118	4.8
147.08034	3.6
147.11697	3.8
149.05960	2.6
149.09546	3.6
151.07487	4.0
155.08630	2.1
159.08076	6.3
161.09584	2.9
163.07506	12.0
163.08649	1.6
163.11134	2.3
164.41129	1.8
169.06471	12.9
169.10162	2.0
171.10150	2.8
171.11548	1.9
172.05186	10.2
173.05943	2.6
173.92348	1.7
177.12798	3.0
178.65068	2.1
179.10645	1.9
187.07564	95.6
187.11217	3.7
187.14871	2.5
188.07834	3.0
189.11215	5.6
190.07721	6.3
191.08641	9.6
191.10518	1.9
194.07167	4.6
197.05981	8.4
197.13222	2.0
201.05472	12.3
201.42374	2.0
202.07736	2.9
203.08617	5.4
204.09334	2.7
205.10138	6.6
215.06993	11.3
216.07793	13.4
218.07274	12.7
219.08157	10.7
219.09874	1.9
220.08813	10.3
222.06726	11.1
228.09309	4.7
229.08504	21.2
229.10518	30.6
231.08089	5.6
233.09608	6.1
233.11792	2.8
233.15276	3.7
235.11188	2.0
237.09088	46.8
243.09084	7.4
243.17668	3.4
245.09444	3.8
246.06679	5.1
247.07567	5.0
248.08348	5.6
251.10574	3.1
257.09625	9.9
261.09091	38.7
261.18475	3.9
263.10715	27.0
264.07813	8.4
265.12268	7.7
271.16949	6.6
273.09375	2.0
275.07114	6.4
275.10599	9.5
275.20035	6.8
279.10162	100.0
280.10666	4.4
289.08505	33.0
289.12216	13.0
289.17990	35.8
307.08771	25.8
307.13254	16.3
307.18738	9.1
307.22260	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	307.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35000	0.6
62.73347	0.6
70.19657	1.5
70.20051	1.3
94.01418	0.6
98.20860	0.7
110.29401	0.6
111.00011	0.6
119.01916	6.0
137.02914	1.1
139.36691	0.6
177.00952	10.2
187.93134	0.6
201.01106	0.9
217.04143	0.9
219.02017	18.1
220.02090	0.7
225.00900	0.8
243.01974	5.3
261.03061	100.0
262.03134	4.7
284.04700	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	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35994	3.9
53.27924	4.5
57.67714	4.8
69.03425	8.9
71.01881	8.2
77.30655	4.6
84.04465	5.3
85.02914	7.2
97.02882	8.9
101.00874	8.4
119.01884	25.8
127.03925	11.5
137.02937	6.1
145.04924	5.6
155.01855	5.8
161.02965	8.9
170.47417	4.6
173.02965	9.6
187.00877	6.5
202.89165	5.3
215.00366	8.5
218.04942	5.1
219.03635	5.7
247.02968	10.6
288.14041	4.5
307.07343	100.0
307.10526	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.9
57.03439	1.3
61.02932	1.1
67.05487	1.5
69.03431	10.7
70.06599	1.2
71.04987	2.0
71.26612	2.8
78.92471	0.9
81.03424	8.4
81.07054	1.7
82.02933	1.3
83.04977	1.1
84.08163	1.2
85.02906	28.3
86.09734	0.9
87.00853	2.2
91.05500	1.0
94.06554	2.0
97.02898	8.2
98.98475	1.4
99.04461	14.6
103.03941	28.8
109.02883	6.6
110.07162	1.1
117.07020	1.3
127.02968	1.3
127.03918	34.8
130.06529	90.4
131.06889	1.7
132.04456	22.8
133.10120	1.1
137.05925	1.3
145.04964	9.7
146.06004	6.4
157.05713	1.3
157.07622	79.8
158.06017	100.0
163.03915	1.3
163.06081	2.6
173.07153	4.2
175.08678	46.2
176.07106	1.7
176.09023	1.0
187.05986	4.7
197.07108	2.1
199.08607	2.3
201.06593	7.3
203.08209	6.1
205.07045	2.4
221.09290	3.3
222.36491	1.1
223.43034	1.0
225.06645	1.8
243.07646	13.2
245.09258	3.2
247.07123	3.2
261.08713	53.8
262.08994	1.9
267.77936	1.0
271.07394	2.9
289.08197	18.7
290.08185	1.2
307.06042	1.5
307.09253	7.7
307.12784	2.9
307.17618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38012	0.4
58.02945	0.5
58.47004	0.4
64.44427	0.4
69.07062	1.1
70.19153	1.4
79.05501	0.5
81.07075	0.8
84.31210	0.4
93.07063	0.4
94.04178	0.9
97.06546	0.4
105.07006	0.3
107.08604	0.5
109.10168	1.1
114.09209	0.4
122.03651	4.2
126.09184	0.5
133.10106	1.0
135.11670	1.1
137.05984	100.0
138.06300	1.6
151.11301	0.4
153.12766	1.1
164.52148	0.4
168.52094	0.4
169.34497	0.4
170.15385	2.0
177.45145	0.4
182.15433	2.9
306.20670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.6
56.96570	4.5
57.03430	10.6
57.07070	4.9
61.02909	2.7
67.05502	21.9
69.03465	3.3
69.07059	11.9
69.54595	22.3
71.04980	4.8
71.76271	2.5
79.05486	17.8
81.03415	3.6
81.07064	32.4
83.04968	8.8
83.08611	6.4
85.02918	5.5
91.05492	17.7
93.07052	34.2
95.04967	10.8
95.08607	30.8
97.02872	4.9
97.06557	3.0
98.97590	3.3
99.04482	3.2
105.07025	25.7
107.04969	6.6
107.08579	18.0
109.06522	8.9
109.10161	14.6
116.07876	2.9
116.98605	4.6
117.07043	6.1
119.08572	25.6
121.06548	3.3
121.10142	31.0
123.08044	7.0
123.11731	5.3
125.09636	7.7
128.06165	2.7
129.07011	5.6
131.08565	20.5
133.10138	15.0
135.08037	6.0
135.11714	6.8
137.05972	11.8
143.08559	10.9
145.10162	16.5
147.08002	4.3
147.11734	8.1
149.01263	9.2
149.09651	19.2
149.13283	5.6
156.03609	5.1
156.09323	6.0
157.10110	16.0
158.10825	5.9
159.11697	18.9
161.09631	6.7
165.09128	6.0
167.10808	4.8
169.10130	6.5
170.10895	4.3
171.11722	12.7
172.12489	3.1
173.13266	19.8
175.11264	4.2
177.12788	5.5
185.13286	5.6
187.11108	4.7
187.14850	5.8
189.12766	3.0
199.14801	6.4
203.14494	3.3
211.14807	6.4
213.12744	7.4
213.16431	6.3
215.18115	2.9
217.06459	28.4
218.07068	4.7
224.08032	32.1
224.58298	6.0
231.08058	7.4
231.13809	4.7
234.06749	3.7
241.19482	4.4
243.24988	4.5
244.59378	3.8
245.05974	6.8
247.08574	3.1
259.07648	14.0
262.06284	10.0
269.19208	8.1
272.26016	2.7
273.05447	16.3
273.18463	3.7
285.10352	3.1
287.07074	6.8
287.10944	3.0
287.16733	6.2
287.20084	15.1
287.23196	4.4
289.04974	4.0
291.06494	2.8
305.05103	5.7
305.08023	100.0
305.10953	27.7
305.17416	8.8
305.21127	24.7
305.24698	12.7
305.28735	11.1
306.08481	9.3
317.05402	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	305.2112
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
51.02385	0.7
53.03944	1.4
55.01875	3.8
55.05513	7.8
56.05024	0.8
56.96556	0.7
57.03435	1.5
57.07069	1.0
58.06604	0.7
59.05001	0.8
60.04532	1.3
60.97834	0.6
65.03925	0.7
67.05510	11.2
69.03427	2.0
69.07074	6.2
70.72043	1.6
71.05006	0.9
71.08643	0.7
74.06075	1.0
79.05060	1.0
79.05501	15.5
81.03430	1.1
81.06578	1.2
81.07059	25.0
83.04973	2.3
83.08622	4.1
85.02916	1.0
85.06530	0.9
88.07623	1.7
91.05486	10.2
93.07051	10.7
94.04176	2.3
95.04976	9.3
95.08599	7.1
97.06543	2.5
97.10165	3.9
98.97587	0.7
99.08133	0.6
105.03382	0.7
105.07037	10.2
107.04956	6.7
107.08600	8.4
109.06525	6.1
109.10155	3.3
109.66591	0.6
111.08140	1.0
111.23334	0.6
113.09769	0.6
117.07024	7.1
119.04917	1.0
119.08595	12.7
121.06512	7.7
121.10162	4.3
121.97327	0.6
122.03651	6.9
123.08070	2.9
123.11653	0.7
125.09634	4.0
129.07016	3.0
131.08582	7.7
133.06490	3.1
133.10133	4.8
135.08070	11.0
135.11705	2.7
137.05984	100.0
142.07773	0.8
143.08557	4.3
145.06506	1.1
145.10132	7.3
147.08052	7.8
147.11656	2.0
149.09659	3.6
152.06995	1.0
153.09087	1.2
155.08470	1.1
157.10155	4.0
159.08096	2.0
159.11696	3.5
161.09615	4.7
163.11237	3.5
169.10193	0.7
170.15413	1.4
171.11647	3.0
173.09586	0.7
175.11218	2.3
175.14853	1.0
177.12724	1.5
182.15430	1.1
185.09669	0.8
185.13332	1.4
187.75824	0.6
189.12598	0.7
199.11258	0.8
203.12823	2.3
213.12781	0.9
213.16420	0.8
217.15933	1.8
231.08078	1.2
231.13875	0.8
237.14592	0.8
245.19017	1.7
255.17502	3.2
257.26715	2.7
259.07547	1.1
263.16428	1.6
273.18521	16.1
277.08594	0.8
285.13559	0.9
287.06906	1.0
287.16452	1.1
287.19910	1.3
305.08142	12.0
305.11475	1.4
305.21109	36.7
305.28632	8.8
306.08261	1.0
306.20914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
50.20966	0.6
52.53075	0.5
53.03922	0.7
55.01877	3.4
55.05515	9.9
56.96555	0.6
57.03433	1.6
57.07067	1.5
58.06595	1.0
59.04991	0.8
61.02906	0.7
65.03934	1.4
66.55042	0.6
67.05506	10.3
69.03423	2.3
69.07065	8.5
70.19197	2.6
71.04986	2.1
73.06551	1.4
79.05495	10.5
81.07056	13.3
83.04973	2.2
83.08616	2.8
85.06538	1.6
91.05478	15.5
92.05790	0.8
93.07047	10.1
95.04976	5.7
95.08603	9.9
97.02880	0.6
97.06523	3.1
97.10162	2.0
99.08094	1.4
103.05478	1.1
105.07033	14.3
107.04966	4.0
107.08585	9.9
109.06497	6.5
109.10164	4.0
111.04436	2.3
111.08054	1.2
112.05207	0.7
113.06034	1.2
115.05431	1.0
117.07018	7.5
119.04911	1.4
119.08578	10.6
121.06506	13.0
121.10125	4.8
122.03619	0.7
122.07225	0.8
123.04414	2.3
123.08072	3.4
124.05190	0.9
125.05996	4.3
125.09684	1.4
126.06776	4.5
128.06248	1.4
129.07028	3.8
130.07747	0.8
131.08578	9.5
133.06493	4.3
133.10139	7.1
135.08052	11.0
135.11697	3.1
136.29071	0.6
137.05980	11.4
137.09639	2.8
139.07495	1.6
139.11134	1.2
142.07710	0.8
143.08574	3.5
145.06496	1.0
145.10120	8.0
147.08046	6.7
147.11723	3.9
148.08701	0.6
149.09590	3.9
149.13246	1.1
151.07516	3.1
151.11232	1.3
153.09117	0.8
155.08577	0.7
157.10127	4.3
159.08058	1.3
159.11688	4.3
161.09601	7.7
161.13246	1.9
162.10342	0.7
163.11142	4.1
165.09148	1.2
167.08522	0.7
171.11676	2.4
173.09569	1.1
173.13249	1.5
175.11195	6.2
176.11952	0.8
177.12738	3.2
179.10715	2.1
181.10135	0.8
181.12199	0.8
185.09579	0.9
185.13208	1.1
187.11093	1.2
189.12766	2.7
190.13443	1.6
191.14279	0.8
193.12260	2.9
194.11809	1.6
199.11104	0.8
201.12807	1.3
203.14334	1.2
205.12248	1.1
205.15875	1.3
207.13800	6.8
213.12558	0.7
213.63078	0.6
215.14323	1.0
217.16072	0.9
219.17371	0.9
221.15419	0.7
227.17918	2.3
233.15363	0.8
236.14149	1.2
237.14642	1.2
244.07915	2.1
245.19014	3.5
249.14754	1.3
250.18095	2.4
255.17497	1.9
259.20602	2.2
262.09091	0.9
263.16370	3.4
269.19025	0.9
273.18500	9.2
277.21603	2.7
287.16516	0.6
287.20032	3.4
290.08459	1.3
305.07962	2.2
305.10950	16.6
305.21106	100.0
305.30225	3.1
306.21371	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	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37066	0.5
53.03942	1.3
55.01868	1.2
55.05505	1.2
56.96569	1.1
65.03951	0.5
67.05504	2.2
69.03430	2.0
69.07072	2.1
70.06591	1.5
71.04974	0.9
71.58066	0.5
79.05495	1.8
79.13181	0.4
81.03414	1.2
81.07059	3.5
83.04971	0.7
83.08625	0.7
84.04513	0.6
85.02899	1.4
85.06550	1.5
86.09716	0.9
91.05478	4.6
93.05762	0.6
93.07038	4.3
95.04962	2.7
95.08602	1.7
96.08154	0.6
97.02939	1.0
97.06541	1.4
97.10165	0.6
98.97581	1.7
99.04497	0.8
105.07035	1.6
107.04931	0.9
107.08599	2.5
108.08130	1.9
109.02866	0.7
109.06497	1.2
109.10155	1.5
111.08092	0.6
112.07607	0.7
115.03967	0.4
116.98603	2.4
117.06977	0.5
117.98850	0.4
119.08585	1.9
120.08100	0.5
121.06539	0.5
121.10133	1.6
122.06042	2.4
123.08075	1.0
124.07596	9.6
125.09624	1.8
126.05523	1.6
127.03914	1.6
127.09290	0.5
128.98521	0.6
130.04950	0.7
133.10123	1.3
134.99652	0.9
135.08092	0.5
135.11650	0.8
136.07579	100.0
137.05969	1.2
137.07890	1.5
137.09622	0.6
139.11142	1.1
140.07031	1.6
143.03618	0.6
145.10101	1.0
146.05981	0.5
147.04431	1.0
147.11678	0.9
149.01172	0.8
149.05963	0.8
150.05493	0.6
151.11208	0.7
152.07066	21.0
157.10162	0.9
158.99736	0.5
159.11653	0.8
161.09555	0.8
161.13258	1.2
164.07069	80.0
165.07411	1.2
170.08133	5.6
173.01250	0.7
175.11263	0.5
177.00829	1.0
180.06482	0.6
182.08145	19.4
182.09752	1.2
191.02283	1.1
269.12823	1.1
287.13898	8.1
287.23523	0.7
288.15939	0.9
305.04895	2.8
305.08563	3.7
305.11578	1.2
305.14706	2.8
305.21463	0.7
305.24747	3.1
306.16837	1.1
321.30872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01877	4.3
55.05262	1.3
55.05514	20.0
57.03438	8.3
57.07060	1.2
59.04994	1.1
65.03924	1.5
67.05509	27.1
68.05832	3.8
69.03424	1.6
69.07063	7.8
69.70320	1.8
69.70715	4.6
70.07378	1.5
71.05000	2.0
73.02192	0.8
73.24667	0.7
75.79016	0.9
76.98172	0.8
79.05058	1.4
79.05495	20.6
80.05833	1.4
81.03419	1.3
81.07060	24.7
82.07400	3.9
83.04969	2.4
83.08619	7.8
85.05286	2.4
85.06543	4.0
86.06058	1.7
91.05489	23.1
92.05820	1.1
93.07046	13.4
94.07373	1.7
95.04961	2.8
95.08607	9.8
96.08917	1.9
97.06561	1.1
97.10181	8.9
98.06053	11.8
99.06367	4.7
105.03405	2.2
105.07034	11.7
107.04954	4.1
107.08610	11.1
109.06510	5.5
109.10159	10.2
111.08100	1.0
115.05485	1.3
117.07033	8.4
119.08580	21.8
121.06500	1.4
121.10159	5.0
122.03695	1.0
123.08056	1.3
125.09644	12.0
128.06258	1.7
129.06993	4.6
131.08572	9.7
132.05728	0.8
133.06480	1.5
133.10144	4.5
135.08076	7.2
135.11679	1.4
137.05983	13.5
137.09636	1.3
141.07010	1.2
142.07709	0.9
143.08562	5.5
145.10126	8.8
147.08052	12.8
147.11653	1.3
149.09589	1.3
151.11269	0.9
153.09123	2.1
155.08630	1.0
157.10127	3.8
159.08128	1.4
159.11703	3.8
161.09665	1.4
163.11200	1.3
169.10141	1.1
171.11713	3.2
173.13231	1.8
175.11189	1.4
183.11693	1.1
185.13263	1.0
199.14928	1.0
201.12759	1.3
203.12776	12.9
203.14481	1.7
205.12509	1.2
217.15936	4.9
227.17958	2.0
233.15302	1.6
237.16417	1.5
255.17537	3.4
273.18497	31.9
287.20001	2.2
305.03735	1.1
305.08121	5.0
305.21588	10.2
305.26706	100.0
305.31375	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0806
Annotation	Tetrangulol
Peak:m/z	Relative Intensity
55.05504	0.6
56.67884	0.3
56.96563	0.3
59.71033	0.3
64.69616	0.3
66.92124	0.3
66.94022	0.3
67.05488	1.0
69.07052	0.5
69.66749	0.7
69.67165	1.5
71.04984	0.3
71.17050	0.3
79.05484	1.0
81.07066	1.4
83.04961	0.3
85.02882	0.4
87.49760	0.3
88.07609	0.4
91.05481	1.4
93.07029	1.2
95.04994	0.4
95.08601	1.2
97.06537	0.3
101.11141	0.3
105.07034	0.7
107.08578	0.7
107.53678	0.2
109.06531	0.3
109.10168	0.5
117.06992	0.5
119.08560	0.7
121.06480	0.5
121.10130	0.6
125.09602	0.4
129.07059	0.4
131.08530	0.3
133.10081	0.4
137.05984	0.4
159.11716	0.5
178.07793	1.0
189.06989	12.8
190.07735	2.0
201.07004	0.9
202.07767	2.1
203.08569	1.5
205.06439	2.6
205.10112	0.5
206.07208	2.2
215.08600	1.6
216.05669	1.2
217.06483	11.4
218.07262	6.1
219.07994	2.0
221.09618	0.5
224.08098	0.4
229.06313	0.3
229.07765	0.4
231.08014	1.9
233.05881	1.8
233.09604	0.6
234.06737	4.6
235.07568	0.5
241.06619	0.4
244.05194	8.1
245.05977	32.1
246.06712	3.6
249.09171	0.5
251.10622	0.8
259.07550	6.1
261.05963	0.5
261.09045	6.8
262.06277	6.7
272.04626	2.9
273.05450	30.4
274.05905	0.9
277.08569	2.8
287.07010	9.0
287.10190	0.5
287.16309	0.3
289.04965	3.8
289.07849	0.5
290.05643	1.7
304.26279	0.5
305.08078	100.0
305.21222	1.3
306.08463	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	305.0809
Annotation	Tetrangulol
Peak:m/z	Relative Intensity
53.90639	0.2
67.05502	0.3
70.66076	0.6
73.49271	0.2
76.81507	0.2
79.05484	0.4
81.07054	0.5
91.05479	0.4
93.07066	0.5
95.04974	0.3
95.08604	0.3
95.35772	0.2
105.03391	1.0
105.07024	0.4
107.08622	0.3
109.06516	0.5
111.22440	0.2
120.48849	0.2
121.06535	0.2
135.08080	0.7
143.04950	0.5
149.09596	0.3
178.07770	0.5
189.07024	1.2
190.07774	3.0
191.08614	0.3
192.05701	0.3
194.07330	0.2
199.03905	0.7
202.07768	3.6
203.08508	1.7
205.06403	1.1
205.10094	0.2
206.07277	2.4
214.06212	0.3
215.08566	0.3
216.05824	0.5
217.06522	0.9
218.07285	8.6
219.07996	0.6
221.09654	0.9
222.03136	0.6
225.05508	0.6
231.08044	0.6
232.08743	0.4
233.06009	0.4
233.09589	0.7
234.06746	4.7
234.08949	0.4
240.04247	0.5
244.05197	3.5
246.06786	2.3
249.09123	0.8
251.10675	1.7
259.07547	1.1
261.05603	0.6
261.09097	5.8
262.06287	3.7
269.97516	0.2
272.04681	6.2
273.05298	0.3
273.18536	0.5
277.08600	4.3
282.62891	0.2
287.07043	9.4
288.07416	0.3
289.04956	0.4
290.05740	6.4
305.08087	100.0
306.08435	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	305.0806
Annotation	Tetrangulol
Peak:m/z	Relative Intensity
52.91273	0.6
55.01878	1.0
55.05498	2.7
59.10286	0.6
60.78793	0.7
67.05487	2.5
69.07071	3.9
70.18671	0.8
70.19003	3.3
70.98924	0.7
79.05468	3.2
81.07051	4.7
83.04958	0.9
83.08627	1.5
83.83828	0.7
91.05463	2.7
93.07050	5.7
95.04972	1.0
95.08607	3.6
97.06545	1.0
97.10186	1.1
98.21510	0.9
100.11269	0.8
105.07024	2.6
107.08607	5.3
109.06519	0.8
109.10154	3.0
109.81754	0.6
119.04902	0.8
119.08566	1.3
121.06480	0.8
121.10155	2.3
123.11653	0.9
131.08615	1.0
133.10161	1.6
135.08087	1.2
135.11671	3.0
137.09595	1.1
143.08580	0.8
147.11670	1.0
149.13271	4.6
163.50584	0.7
165.09149	0.7
180.37033	0.7
189.06967	1.3
202.07709	0.8
215.08537	1.1
218.07257	10.6
224.08049	0.8
231.08038	1.7
234.06700	6.4
245.05977	17.8
246.06691	6.1
249.05463	0.8
255.06607	0.7
257.05988	0.7
259.07529	4.8
262.06247	24.0
263.06796	0.8
273.05447	17.8
277.08536	1.2
287.06927	1.1
287.16504	1.7
287.23724	1.1
289.04974	15.6
290.05621	4.2
305.04919	3.4
305.08066	100.0
305.17395	2.3
305.24808	5.6
305.28000	0.9
306.08505	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0807
Annotation	Tetrangulol
Peak:m/z	Relative Intensity
57.51863	0.2
63.84177	0.2
65.57340	0.2
69.52561	1.6
73.73119	0.2
76.09676	0.2
79.05472	0.2
81.07068	0.2
88.27877	0.2
95.04987	0.3
97.06536	0.2
105.41614	0.2
121.10101	0.2
178.07771	0.5
189.06976	1.4
190.07771	0.5
202.07817	0.6
203.08633	1.0
205.06531	0.3
206.07292	0.4
215.08565	1.8
217.06511	0.6
218.07265	10.4
219.07715	0.5
221.05984	0.4
231.08086	1.3
233.09512	0.3
234.06754	7.5
235.07201	0.2
244.05179	0.4
245.05980	16.3
246.06752	5.1
249.09254	0.3
259.07547	4.6
260.59406	0.2
261.05362	0.4
262.06253	23.1
263.06644	0.9
273.05460	16.7
274.05792	0.3
277.08612	0.8
287.07059	1.5
289.04956	16.5
290.05710	4.1
297.37543	0.2
305.08078	100.0
306.08426	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	305.0807
Annotation	Tetrangulol
Peak:m/z	Relative Intensity
55.01877	0.5
55.05498	1.0
56.96554	0.7
57.07049	0.5
59.46378	0.4
60.46413	0.4
67.05487	1.3
69.03424	0.6
69.07051	0.7
71.30780	1.0
79.05491	0.9
81.03397	0.5
81.07048	1.8
83.04976	1.0
86.31121	0.4
91.05463	1.6
93.07043	1.6
95.04947	0.7
95.08610	1.1
99.04424	0.5
105.03422	0.4
105.07065	0.9
107.05000	0.5
107.08569	1.3
109.06523	0.6
117.07002	0.7
119.08583	0.8
121.10177	0.4
123.04391	0.5
123.11684	0.4
133.10162	0.4
137.06009	0.5
145.10196	0.4
157.10286	0.5
171.11591	0.5
175.07564	0.6
189.06967	0.6
192.34456	0.5
202.07761	3.3
203.08569	4.1
205.12152	0.5
212.04671	0.4
213.07004	1.6
215.08574	0.8
218.07275	1.1
221.09659	0.6
227.07040	1.1
231.08060	15.9
234.06743	0.7
235.07405	0.6
241.06487	6.5
242.07214	0.5
243.08186	0.8
245.05925	1.0
245.09665	0.9
246.06715	0.5
249.09003	1.8
258.06934	0.6
259.07544	13.3
259.16800	0.5
261.09024	0.6
262.06082	0.7
263.06787	0.4
269.05945	1.4
273.05499	0.9
273.09052	0.7
277.08603	5.0
287.07016	11.9
287.10254	0.7
287.16428	1.2
288.07538	0.7
289.07709	3.8
290.05646	0.7
305.08069	100.0
305.10907	3.5
305.17450	1.8
305.21091	1.3
306.08432	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14499	0.5
54.35120	0.6
55.01870	0.8
55.05505	1.4
56.96530	0.7
67.05487	2.0
69.03426	1.2
69.07045	1.1
71.58807	1.0
75.56394	0.5
79.05489	0.9
81.07048	2.7
91.05451	1.7
93.07041	2.4
95.04990	0.9
95.08579	1.9
100.19264	0.7
105.07027	1.8
107.08577	2.0
109.10150	1.1
109.54324	0.6
119.08610	1.1
121.10125	1.2
125.09639	1.5
134.55908	0.7
135.08069	0.8
137.05981	1.1
139.42032	0.7
145.10086	0.7
147.11630	0.6
149.13268	0.7
151.43994	0.6
161.05858	0.7
175.14845	0.7
178.07788	1.2
189.06973	11.3
189.08522	1.0
190.07658	1.1
201.06998	1.6
202.07773	1.6
203.08571	1.6
205.06528	2.5
206.07300	2.1
215.08675	1.4
216.05771	1.3
217.06476	11.2
218.07281	4.3
219.08049	1.7
224.08151	1.1
231.08002	2.8
233.06026	1.3
234.06705	4.0
244.05185	6.0
245.05998	33.3
246.06633	3.2
259.07596	6.9
261.09085	6.8
262.06308	5.2
272.04761	1.5
273.05478	28.5
274.05798	0.8
277.08664	2.1
287.07031	11.4
287.16577	0.8
289.04950	2.2
290.05643	1.7
304.26248	1.0
305.08090	100.0
305.21243	2.4
305.26797	1.3
306.08359	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	305.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93059	0.2
55.01852	0.4
55.05472	0.3
55.79746	0.2
57.01636	0.2
61.76432	0.2
62.51792	0.2
67.05494	0.3
67.57133	0.2
70.57449	0.2
80.12047	0.2
81.99704	0.2
93.07037	0.2
95.08614	0.4
97.02855	0.3
105.07021	0.2
107.08566	0.3
108.00874	0.2
109.10166	0.3
124.49364	0.2
134.13826	0.2
135.11610	0.3
155.47748	0.3
168.05692	0.3
177.42050	0.2
178.07758	0.6
179.08537	0.9
181.06479	0.4
193.10101	1.0
202.07761	2.5
203.06686	0.3
203.08553	5.2
205.06541	0.5
206.07315	0.5
207.08051	1.1
208.05190	0.8
209.06003	0.8
213.06961	2.2
215.08574	0.5
218.07263	0.3
221.05913	0.8
221.09567	1.1
222.06786	0.3
230.07304	0.5
231.08047	13.9
232.08521	0.6
234.06763	1.8
235.07510	0.7
241.06554	1.9
242.07283	0.9
243.08134	0.4
245.06017	0.7
247.07733	0.2
248.08293	0.3
249.09097	4.1
258.06741	3.0
259.07541	52.7
260.07861	1.9
262.06235	0.3
263.06949	0.3
269.05951	0.4
277.08679	1.5
287.07022	23.2
288.07440	1.0
305.08075	100.0
306.08401	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	305.0807
Annotation	Tetrangulol
Peak:m/z	Relative Intensity
55.01844	0.4
55.05503	0.7
59.07188	0.4
67.05489	1.6
69.03413	0.7
69.07064	1.0
70.51440	1.0
70.51836	0.8
72.58424	0.5
79.05499	0.9
81.03400	0.4
81.07047	1.4
85.06493	0.5
88.07626	0.6
91.05445	0.9
93.07037	1.2
95.04981	0.7
95.08583	1.2
97.06522	0.5
105.07005	1.2
107.08568	1.6
109.06492	0.7
109.10161	1.2
119.08575	0.8
121.10137	0.5
125.09571	0.4
133.10114	0.7
135.04434	0.6
135.08006	0.6
137.02370	0.7
137.05957	0.5
149.09550	0.4
149.13255	0.5
167.04962	1.0
178.07677	0.5
189.06995	1.7
190.07756	1.7
193.10170	0.5
195.08080	0.4
202.07779	3.4
203.08578	4.3
205.06718	0.5
206.07359	0.5
213.06987	4.4
215.08585	1.0
216.05757	1.1
217.06490	1.8
218.07285	3.3
224.08043	0.5
231.08047	5.7
233.06160	0.5
234.06802	3.0
237.09100	0.6
241.06471	3.9
244.05164	3.8
245.05933	3.5
245.09776	0.4
246.06766	1.1
247.07602	0.6
249.05237	0.5
249.09114	4.8
259.07529	7.1
261.05453	0.4
261.05972	0.5
261.09064	7.3
262.06268	2.5
263.06924	0.6
269.05856	0.9
272.04755	1.0
273.05466	3.8
275.07233	0.5
277.08548	2.3
287.07031	12.3
287.16452	0.6
287.19882	0.7
289.05032	1.3
289.28857	0.5
290.05618	0.8
305.08078	100.0
305.17514	1.5
305.66711	0.4
306.08383	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01884	2.1
55.05515	1.6
56.05019	1.0
56.96576	3.0
57.03437	5.0
58.06617	1.6
60.04271	1.3
60.04525	7.3
61.02938	3.2
67.05508	2.0
69.03428	13.7
69.07063	35.6
69.80136	3.4
69.80552	3.0
70.06597	3.0
71.05001	2.3
71.08630	23.3
72.08163	3.8
73.02919	2.5
79.05502	1.6
80.05044	1.8
81.03421	8.0
81.07068	1.2
83.08623	1.1
84.04531	3.1
84.08172	1.4
85.02905	61.0
86.02454	5.0
86.09711	1.7
87.04488	1.2
91.05463	5.5
93.07079	1.2
94.06568	1.5
95.05040	1.0
95.08617	1.3
96.08148	3.1
97.02892	35.8
97.06533	6.8
98.97617	3.2
99.04491	3.2
99.97939	1.0
103.03960	4.6
107.04887	1.2
109.02871	10.0
110.06062	1.1
114.09164	19.9
116.13296	1.1
116.98656	3.5
119.04961	3.2
120.08109	1.5
121.10176	1.2
123.04428	7.9
124.07594	1.7
127.03938	14.1
130.06560	3.1
133.02895	3.0
134.99684	1.5
137.05972	26.3
138.06352	1.5
138.09196	2.9
142.08630	100.0
145.04959	9.5
146.06068	1.3
151.03922	2.8
156.10280	2.3
158.06071	3.0
166.08679	1.1
173.07195	1.2
177.00700	2.0
180.10284	2.0
183.11397	1.6
184.09683	69.4
184.38628	1.0
194.08156	1.3
208.09703	13.2
220.09804	1.8
238.10782	2.2
250.10696	9.9
286.12946	1.4
287.11588	10.8
295.61447	1.1
304.05280	3.2
304.08652	1.4
304.14096	5.4
304.20337	1.6
305.11935	1.4
305.15631	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	303.1015
Annotation	Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
Peak:m/z	Relative Intensity
59.13907	0.3
59.87212	0.3
67.05496	0.8
69.07060	0.7
69.94523	0.8
69.94942	1.3
70.94592	0.3
73.72903	0.5
79.05482	0.5
81.07043	1.0
83.08609	0.6
85.83118	0.3
91.05466	0.5
92.85465	0.3
93.07047	0.7
94.70798	0.4
95.08601	2.3
97.06485	0.4
97.30493	0.3
105.07011	0.7
107.08598	0.7
108.17062	0.4
109.10152	1.0
117.06965	0.4
119.08553	1.0
121.06467	0.4
121.10130	1.0
123.11681	0.4
133.10126	0.6
135.11723	0.4
137.02339	0.5
141.09157	0.4
145.10109	0.4
147.11661	0.4
153.01808	1.2
157.36002	0.3
159.11684	0.5
161.13319	0.5
165.01750	0.5
173.13109	0.5
191.08585	1.5
203.17928	0.6
205.06438	0.4
229.04791	0.8
229.06746	0.4
231.08029	0.7
243.07881	0.4
247.07536	7.4
257.04120	0.4
257.06342	0.4
258.06790	0.4
259.07559	0.8
260.08078	0.4
271.07574	1.5
275.07022	16.8
276.07449	1.2
287.07022	100.0
288.07513	5.6
302.30365	0.5
303.06409	24.0
303.10144	70.3
303.22861	1.6
304.06628	1.3
304.10379	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	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.7
55.01845	0.7
55.05478	0.4
56.54490	0.3
56.96533	1.0
59.04964	0.4
64.26786	0.3
65.03913	0.8
67.05460	1.2
69.03386	0.9
69.07018	1.3
70.06565	0.6
71.11399	0.3
71.40279	0.3
72.08131	0.6
73.02905	0.3
76.39788	0.3
77.34182	0.3
79.05455	0.9
80.05016	16.2
81.03388	0.7
81.05764	1.0
81.07024	0.8
83.04974	0.6
84.04468	0.5
85.02914	1.4
86.09668	0.4
88.04638	0.3
91.05476	4.0
92.04990	0.4
93.07009	0.7
94.06561	3.3
95.04912	0.8
95.08569	0.9
96.04478	0.5
97.02841	1.1
97.06509	0.7
98.97590	1.5
101.04008	0.3
103.37403	0.3
105.07012	0.5
107.04919	1.1
107.08552	0.9
109.02852	0.7
109.06474	0.9
109.10095	0.4
110.07161	0.4
110.87923	0.3
111.04413	0.5
112.03979	0.4
112.07567	0.6
116.57111	0.3
116.98577	1.4
119.04969	1.8
119.08553	0.4
120.04456	0.4
120.05701	0.4
121.06474	0.4
121.10131	0.5
122.06000	1.7
123.04384	1.0
123.06752	0.4
123.08022	0.4
127.03857	0.8
129.06946	0.4
131.04869	0.6
131.08574	0.7
132.04459	1.5
133.05205	1.6
133.06331	0.4
134.05931	0.4
134.99648	1.2
135.04428	2.4
135.11630	0.5
136.05199	1.5
137.05983	13.9
137.07054	0.7
139.03859	0.4
140.07050	0.9
142.08633	1.8
144.10220	0.3
145.06456	0.4
145.10081	0.6
147.04347	0.5
148.03847	0.4
149.05879	0.9
150.05496	2.6
151.03888	0.5
151.06255	1.3
151.07437	0.3
155.08510	0.6
159.08040	0.5
163.03870	0.4
163.07413	0.3
165.06990	0.5
167.06972	0.4
173.05952	0.7
173.09564	1.2
177.00720	0.5
183.08044	0.4
184.09673	1.2
187.07446	0.4
189.09032	0.5
191.02237	0.5
201.09109	6.5
203.17931	0.3
215.07010	0.6
216.10155	0.5
224.09653	0.3
227.15587	0.3
229.08577	5.6
239.07008	1.2
239.11885	0.4
240.10152	0.5
257.08179	1.0
258.11230	1.3
267.11319	0.7
268.09674	0.6
281.01730	0.6
285.12363	2.0
286.10739	100.0
287.11148	2.7
303.05029	2.9
303.10318	1.0
303.13422	13.1
303.23026	0.6
304.14246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1018
Annotation	Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
Peak:m/z	Relative Intensity
55.05522	0.9
57.07071	1.7
59.21689	0.7
61.41642	0.5
64.53053	0.6
67.05489	2.5
69.07053	1.9
70.06570	1.7
71.58760	1.0
79.05477	1.2
81.07038	2.5
83.04952	0.8
83.65807	0.7
88.07611	2.5
91.05463	1.8
93.07030	2.3
95.04962	1.0
95.08604	5.7
105.07038	3.5
105.41590	0.5
106.08653	1.0
107.04896	0.6
107.08582	2.5
109.06526	0.9
109.10130	2.0
119.08592	3.3
121.10130	2.7
123.08008	0.7
123.11687	1.1
131.08595	1.1
133.10100	2.5
135.11690	1.9
141.41727	0.7
143.08527	0.7
145.10123	1.5
147.11661	1.7
149.13240	0.7
161.13135	0.9
173.13268	0.8
187.14757	0.9
203.17921	1.7
215.08643	0.9
231.08025	0.8
232.08768	1.8
242.07253	4.0
243.07916	1.2
247.07623	0.8
247.11099	1.1
257.22626	0.9
259.07526	1.4
260.08310	6.4
270.06711	2.3
271.07516	4.0
275.07040	1.0
285.09052	1.0
285.22107	1.3
287.06946	1.1
288.07803	35.4
289.08099	1.4
302.30521	9.0
303.06494	13.7
303.10095	100.0
303.19601	2.9
303.23108	9.2
303.30841	6.6
304.07303	1.1
304.10477	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	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47689	10.6
55.18222	8.8
61.02934	29.8
69.03423	35.5
69.11823	9.8
69.31100	9.1
70.06596	19.0
70.93215	10.4
70.93543	17.3
71.05003	23.5
73.02908	22.7
84.08134	14.3
85.02905	56.4
86.09701	14.2
94.93004	36.0
97.02867	17.5
98.97562	11.4
102.44291	11.9
116.07090	12.9
119.01878	12.4
127.03937	28.8
140.07054	23.2
145.04959	13.4
147.58340	11.3
152.06995	16.2
164.07059	22.7
174.14957	39.4
179.89363	10.1
191.03828	10.3
200.98370	29.9
217.00256	12.8
218.99377	13.0
240.54788	9.8
254.56622	11.0
286.10840	15.0
303.08063	100.0
303.13330	18.6
304.08072	14.5
304.11646	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86969	12.5
51.20199	14.6
55.05502	23.0
56.96555	61.2
61.02928	18.5
67.05493	15.2
69.03405	19.2
69.07012	14.9
69.85076	61.8
69.85490	30.9
70.06594	33.5
71.05003	15.2
72.08157	20.7
73.02920	16.3
73.06562	22.9
81.07039	28.6
84.04494	28.3
84.08123	31.2
85.02900	31.7
86.09689	17.8
89.31889	14.2
92.06899	14.0
93.07031	19.8
95.04944	15.2
95.08607	69.2
97.02879	21.3
98.21424	21.2
98.97578	50.5
101.05983	18.1
105.07014	21.5
106.24528	16.3
107.08588	30.5
109.10152	30.2
110.07184	41.2
116.98592	43.3
119.01904	18.2
119.08560	18.5
121.10103	16.2
129.10234	19.8
134.99669	38.1
135.11678	24.6
140.07082	20.8
141.05260	23.1
144.91295	13.1
145.10149	17.1
150.05386	18.1
152.07063	38.4
153.07420	20.1
158.99706	23.9
161.36188	13.7
164.07121	39.3
171.01457	20.8
173.01312	14.6
174.14946	15.1
177.00774	29.5
186.99095	16.9
203.17987	17.9
219.01657	17.0
237.02742	28.7
257.22507	17.6
267.08762	13.7
286.10785	28.1
303.06787	98.2
303.10883	100.0
303.23270	46.9
303.26590	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	303.1013
Annotation	Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
Peak:m/z	Relative Intensity
50.45781	0.6
55.05492	0.9
59.26943	0.6
67.01814	0.6
67.05479	2.4
69.07050	1.3
69.90284	3.6
79.05477	0.7
81.07026	1.8
82.22498	0.7
83.08630	0.6
84.36127	0.6
91.05453	1.7
93.07008	1.7
95.04933	2.1
95.08605	8.2
97.06510	1.0
97.10130	0.7
105.06975	1.8
107.08557	2.3
109.02808	0.8
109.10122	0.8
119.08543	1.8
121.02866	0.9
121.10126	1.8
123.08048	2.2
123.11772	0.6
124.72215	0.6
133.10068	1.6
135.08012	2.0
135.11641	1.2
137.02324	1.3
142.67004	0.6
145.10057	1.6
147.11623	0.9
153.01767	1.8
159.11613	0.8
163.07472	0.6
165.01779	0.9
218.07301	0.7
221.15259	0.8
227.08371	0.8
229.04733	1.4
229.06752	0.7
231.07884	1.4
232.08743	1.2
241.09622	1.0
242.07243	5.0
243.08041	1.5
247.07420	2.5
247.11147	0.8
257.06006	1.1
257.09537	7.4
259.07428	2.2
260.08316	3.1
261.09039	0.7
270.06760	5.6
271.07516	12.0
271.14087	1.2
273.59412	0.7
275.06979	1.0
285.05643	1.2
285.08966	5.2
285.18402	1.2
287.07028	37.3
288.07593	2.1
303.06329	23.2
303.10019	100.0
303.19357	2.4
303.23050	2.5
304.06879	0.7
304.10345	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	303.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
58.52004	0.9
61.95906	0.9
71.56374	1.1
79.05540	1.1
81.07101	1.3
83.04988	1.4
91.05485	1.8
93.07066	2.9
95.05006	1.3
95.08625	4.4
97.06525	1.3
105.07053	1.9
107.08625	2.3
109.06517	1.1
109.10181	2.3
119.08603	1.7
121.06562	1.0
121.10152	1.7
133.10233	1.6
135.11729	1.4
137.02444	1.1
137.06052	1.3
145.10165	1.2
146.26747	0.9
147.11642	1.1
153.01874	1.9
159.44347	1.0
190.07819	1.1
191.08641	3.8
201.05478	1.2
205.06721	1.5
219.08205	3.5
229.06705	1.5
231.08197	1.7
247.07567	20.4
247.09926	1.3
248.07903	1.2
257.06183	2.2
258.06888	1.2
274.06381	1.3
275.07037	58.3
276.07599	2.5
287.07159	2.2
303.06680	100.0
303.09985	5.4
303.23419	3.5
304.06955	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03940	0.2
55.01864	0.3
55.05492	0.1
62.74949	0.1
65.03933	0.6
67.01846	0.4
67.05504	0.7
67.32048	0.1
68.99437	0.2
68.99789	1.8
69.03416	0.3
70.06585	0.1
70.99458	0.4
75.63680	0.1
79.05477	0.3
81.03424	0.7
81.07052	0.3
84.37700	0.1
86.09682	0.2
91.05470	1.1
93.03426	0.7
93.07034	0.2
94.06562	1.1
95.04970	0.8
95.08590	0.4
97.06543	0.3
98.97572	0.2
104.10750	0.2
105.03422	0.2
105.57404	0.1
107.04919	0.3
109.02855	1.0
111.00793	2.0
111.39735	0.1
115.05411	0.2
116.98701	0.2
117.07002	0.3
119.04926	0.8
119.08575	0.2
121.02861	2.1
122.06067	0.2
123.04426	0.7
127.03909	0.5
129.06955	0.1
131.04962	0.3
132.08051	0.1
133.06471	0.2
135.04414	0.5
137.02339	6.9
137.03363	0.3
137.05971	5.1
138.02745	0.2
145.02846	0.2
145.06453	0.6
146.05952	0.3
147.11699	0.1
149.02299	0.8
150.05501	6.6
150.23132	0.1
151.03885	0.4
152.07034	0.2
153.01822	9.3
154.02142	0.2
155.04893	1.0
157.06522	0.1
159.04385	0.2
161.05992	0.5
163.03915	1.0
165.01839	4.3
166.02631	0.5
173.05997	1.5
173.09605	0.1
176.07028	0.2
177.01810	0.2
177.05418	0.4
179.03354	0.3
183.02878	1.4
183.04431	1.0
184.07344	0.4
185.05988	0.2
187.03836	0.7
188.07062	0.2
191.03435	0.4
191.07005	0.2
195.02948	0.4
200.04593	0.2
201.05458	4.6
203.03391	0.2
205.04958	0.5
207.02930	0.2
211.03903	0.4
213.05449	0.3
213.54228	0.1
215.03339	0.2
219.02954	0.2
219.06522	0.5
228.04237	0.7
229.04953	8.8
230.05287	0.2
232.03687	0.2
239.03421	0.4
245.04550	0.2
246.05276	0.2
247.06015	1.3
250.09695	0.1
257.01767	0.3
257.04465	4.9
257.12332	0.1
258.04849	0.2
259.14804	0.2
274.04727	1.6
275.05396	0.5
285.03928	2.3
285.12192	0.3
286.04541	0.3
286.10641	0.5
303.04977	100.0
303.17719	1.9
304.05319	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98237	0.1
53.03940	0.1
55.01874	0.4
55.05513	0.1
56.96542	0.1
57.03425	0.2
65.03943	0.5
67.01864	0.4
67.05508	0.4
68.99426	0.1
68.99789	1.8
69.03422	0.3
69.07061	0.2
70.06580	0.1
70.07459	0.1
71.01321	0.1
71.56147	0.1
71.56624	0.1
73.02934	0.1
79.05487	0.2
79.85084	0.1
81.03428	0.8
81.07049	0.3
83.04966	0.1
83.08598	0.1
85.02892	0.1
86.09702	0.4
86.51161	0.1
91.05486	0.6
93.03407	0.6
93.07024	0.2
95.04969	1.0
95.08612	0.4
97.02892	0.2
97.06525	0.3
98.97576	0.2
99.04398	0.1
103.05450	0.2
104.10728	0.2
104.16341	0.1
105.03353	0.2
105.07018	0.3
105.11033	0.2
107.04961	0.3
107.08592	0.2
109.02885	1.3
109.10136	0.2
110.03664	0.1
111.00807	1.8
111.04434	0.2
111.08108	0.1
115.05448	0.3
116.98609	0.2
117.07031	0.4
119.04962	0.2
119.08568	0.2
121.02869	2.1
121.06573	0.1
121.10123	0.2
123.04434	0.7
123.08070	0.1
123.11736	0.1
125.00008	0.3
126.03101	0.1
127.03930	0.6
128.06209	0.1
129.07039	0.2
131.04909	0.4
133.02811	0.2
133.06471	0.2
133.10114	0.2
134.99693	0.2
135.04427	0.5
135.08052	0.2
135.11667	0.2
137.02348	7.4
137.03355	0.3
137.05943	0.8
137.09584	0.1
138.02687	0.1
138.06363	0.1
143.04886	0.1
145.02856	0.2
145.06522	0.7
145.10165	0.1
147.04449	0.2
147.06810	0.2
147.11693	0.1
148.07077	0.2
149.02336	1.0
149.09605	0.1
150.05516	0.4
151.03941	0.2
153.01834	9.5
154.02142	0.2
155.04909	1.0
155.06024	0.1
155.08569	0.1
157.06499	0.2
157.10139	0.1
159.04439	0.2
161.05991	0.7
163.03929	1.1
163.07472	0.1
165.01845	3.6
166.02591	0.5
167.03391	0.2
171.02873	0.2
171.04240	0.1
173.05991	1.4
177.01959	0.2
177.05504	0.5
177.07712	0.1
179.03401	0.4
183.02890	1.6
183.04424	0.7
184.07318	0.8
185.06047	0.1
185.07729	0.2
187.03891	0.9
191.03415	0.3
191.07004	0.2
195.02870	0.5
196.10001	0.4
201.05466	4.0
202.05869	0.1
203.12660	0.1
205.04982	0.4
205.10579	0.1
207.02872	0.2
211.03888	0.3
212.10709	0.2
213.05463	0.3
215.03398	0.3
217.05029	0.1
219.03067	0.2
219.06558	0.6
223.08571	0.1
224.09514	0.2
228.04152	0.6
229.04967	8.8
230.05367	0.3
232.03749	0.1
233.04491	0.1
239.03563	0.4
239.11807	0.7
241.13547	0.1
245.04674	0.2
246.05272	0.1
247.05994	1.3
257.04465	5.1
257.12872	0.1
258.04990	0.3
267.03006	0.1
267.11270	1.1
274.04730	1.4
274.13922	0.3
275.05377	0.4
285.03943	2.3
285.12341	3.0
286.04492	0.3
302.04031	0.1
303.04996	100.0
303.17764	2.6
304.05334	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	303.0499
Annotation	Viscidulin I
Peak:m/z	Relative Intensity
53.03955	0.4
55.01865	0.6
55.05510	0.8
56.96548	0.5
59.36955	0.3
59.53479	0.3
61.02888	0.3
65.03938	0.6
67.01854	0.4
67.05503	1.1
68.99798	2.0
69.03418	0.8
69.07056	0.4
69.83527	2.0
70.06586	1.0
79.05486	0.9
81.03407	0.8
81.07049	1.1
84.04507	0.7
85.02905	0.5
86.09687	0.7
91.05476	1.0
93.03394	0.6
93.07030	1.0
94.06579	0.7
95.04996	1.6
95.08611	1.4
97.02883	0.6
97.06552	0.4
98.97572	0.4
102.00414	0.3
105.07024	1.2
107.04980	0.9
107.08606	1.0
108.05327	0.4
109.02883	1.3
109.10176	0.7
110.07140	0.4
111.00790	1.9
111.04434	0.3
112.07626	0.5
115.05404	0.4
116.98640	0.4
117.06990	0.4
119.04950	0.5
119.08598	1.1
120.08108	0.3
121.02864	1.6
121.10154	0.9
122.06013	0.9
123.04452	0.9
127.03934	0.8
131.04953	0.3
133.10114	0.4
135.04379	0.6
135.11687	0.5
137.02356	7.2
137.03398	0.6
137.05972	5.2
137.09543	0.3
145.02869	0.6
145.06508	0.8
145.10130	0.5
147.04434	0.4
147.11638	0.3
149.02341	1.0
149.13281	0.4
150.05505	1.0
151.03914	0.7
152.07054	0.7
153.01837	8.4
154.12273	0.8
155.04921	0.5
157.44711	0.4
161.05983	0.6
162.05522	0.4
163.03923	1.2
165.01852	3.6
166.02576	0.4
173.05945	1.0
177.00620	0.4
177.05470	0.6
179.03328	0.4
182.08365	0.6
183.02975	1.6
183.04407	0.4
183.73343	0.3
184.07388	0.5
187.03928	0.7
195.09181	0.9
196.09987	3.7
201.05466	4.2
204.04143	0.3
205.04912	0.6
211.12250	1.5
212.10750	4.0
213.10196	0.4
223.08733	0.5
224.09464	2.3
226.10721	0.3
228.04176	0.3
229.04970	7.8
230.05449	0.4
239.11780	6.5
241.13368	1.2
247.06082	0.9
254.10419	0.3
256.37292	0.4
257.04480	4.8
259.15067	1.1
267.11298	12.0
274.04807	1.0
274.13980	0.3
275.05405	0.5
275.11014	0.5
285.03961	2.1
285.12335	32.9
286.10834	1.0
303.05002	100.0
303.13403	4.9
303.17810	3.6
303.23236	0.7
304.05356	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03918	0.1
53.03946	0.1
55.01878	0.4
55.02100	0.1
56.96567	0.1
65.03928	0.4
67.01871	0.3
67.05495	0.3
68.99788	1.8
69.03423	0.2
69.49844	0.5
71.01360	0.1
79.05459	0.1
81.03417	0.7
81.07048	0.1
83.01311	0.1
85.02915	0.1
86.09712	0.3
91.05478	0.2
92.11744	0.1
93.03397	0.7
95.04972	0.7
95.08607	0.1
97.02911	0.1
97.06499	0.1
98.06853	0.1
103.05434	0.1
105.03387	0.1
105.07002	0.2
107.04959	0.2
107.08576	0.1
109.02872	1.1
109.10145	0.1
110.03638	0.1
111.00802	1.8
111.04408	0.1
115.05431	0.1
116.98631	0.1
117.07021	0.3
119.04955	0.1
121.02866	2.2
121.06482	0.1
123.04432	0.5
125.00021	0.1
126.03128	0.1
127.03925	0.6
128.06201	0.2
129.07001	0.2
130.08582	0.1
131.04948	0.4
133.02832	0.1
133.06465	0.2
133.10219	0.1
135.04424	0.5
137.02342	7.0
137.03352	0.4
137.05980	0.2
138.02675	0.2
139.05412	0.1
143.08594	0.1
144.12120	0.1
145.02835	0.2
145.06467	0.6
147.04430	0.1
149.02356	0.8
149.06015	0.1
151.03914	0.1
153.01828	9.1
154.02220	0.2
155.04913	0.9
155.06030	0.1
157.06509	0.2
159.04480	0.2
160.05176	0.1
161.05986	0.7
163.03899	1.3
163.07588	0.1
164.07152	0.1
165.01837	4.0
166.02608	0.6
167.03371	0.1
171.03017	0.1
171.11444	0.1
173.05988	1.5
177.01857	0.2
177.05553	0.3
179.03336	0.4
183.02892	1.6
183.04442	0.7
184.07330	0.3
185.06023	0.1
185.07771	0.1
187.03899	0.7
188.07231	0.1
191.03418	0.4
191.07037	0.2
191.40453	0.1
193.83562	0.1
194.02153	0.1
195.02863	0.6
199.07547	0.2
200.04741	0.1
201.05469	4.4
202.05849	0.2
203.03406	0.2
205.04921	0.5
207.02895	0.2
211.03958	0.2
213.05479	0.2
215.03375	0.1
218.05693	0.1
219.02954	0.3
219.06453	0.5
228.04184	0.5
229.04961	8.7
230.05362	0.4
232.03696	0.2
233.04480	0.1
239.03583	0.4
245.04483	0.2
246.05254	0.1
247.06007	1.0
257.04456	4.6
258.04819	0.2
274.04749	1.4
275.05380	0.4
275.11020	0.1
285.03946	2.2
286.04492	0.3
302.04291	0.1
303.04987	100.0
304.05322	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	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09908	0.3
57.07075	0.4
59.10995	0.4
67.37254	0.4
69.07027	0.4
71.13783	0.3
71.56463	0.6
77.01970	0.3
79.03255	0.3
81.07060	0.4
84.08128	0.6
95.08600	1.4
101.00874	0.6
106.78067	0.3
109.10141	0.5
114.46167	0.4
116.98678	0.5
119.01138	0.5
119.01923	6.0
120.01933	0.3
121.10109	0.5
135.11717	0.5
137.02959	2.9
145.10060	0.4
153.00871	0.4
153.07399	0.5
168.46541	0.3
177.00958	12.9
178.01085	2.0
179.00723	1.1
182.99808	0.4
183.73796	0.4
201.00862	0.8
217.04044	2.9
218.03802	1.3
219.02010	23.7
220.02069	4.5
221.01796	3.7
222.01912	1.6
225.00818	1.8
242.03497	0.7
242.99614	0.4
243.01935	6.2
244.02052	1.3
256.96667	0.8
257.22656	0.5
260.04779	0.5
261.03058	100.0
262.03183	18.7
263.02805	2.0
266.03671	0.6
266.91837	0.4
274.97589	0.7
279.00909	0.6
280.02368	0.6
284.04678	6.8
284.99863	2.1
285.04929	2.1
295.72226	0.4
301.01031	0.6
303.00827	4.1
303.05255	5.5
303.23172	0.9
312.67032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58908	2.3
55.01860	3.3
57.03431	5.2
61.02924	3.2
67.05493	7.0
69.03423	12.6
70.06586	9.6
70.74818	5.8
71.04972	3.2
72.08161	5.5
76.31737	2.2
79.05492	6.4
80.04972	2.3
81.03407	10.7
81.07062	7.1
82.06536	2.2
85.02901	80.3
86.09712	8.9
91.05466	3.7
94.06573	3.5
95.04976	6.5
97.02893	42.8
97.06516	3.5
99.04451	2.3
102.59662	2.2
103.03929	7.3
107.04971	2.2
108.08112	12.0
109.02885	15.1
110.23323	2.1
112.07602	7.9
122.06033	6.4
123.04440	3.1
123.73561	2.1
125.06001	5.2
125.67957	2.0
126.05540	8.6
126.09138	4.6
127.03912	18.5
134.06001	2.2
136.07581	18.3
140.07063	48.0
140.08095	4.0
145.04950	15.4
150.09151	6.1
151.06290	2.9
152.07109	18.2
154.08588	5.3
163.06036	2.7
164.07074	22.8
166.08563	2.0
171.11276	2.1
178.08632	16.7
182.08124	100.0
183.08295	2.2
184.07356	8.5
206.08131	38.3
206.90155	2.2
210.56577	2.2
218.08101	5.1
232.50471	2.5
236.09164	5.3
239.11819	5.7
248.09169	10.4
256.09708	2.5
257.04559	4.3
267.11206	10.5
273.13519	3.5
274.10745	2.7
285.12289	21.0
286.10800	6.0
302.10223	6.2
302.17380	17.7
303.05139	10.5
303.13318	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
53.54527	3.1
55.00911	3.1
55.05499	5.5
56.96553	7.6
57.03437	6.4
61.02927	4.0
65.03931	3.4
67.05501	11.1
68.30714	2.9
69.03420	10.1
69.07067	3.9
70.06592	34.1
71.32740	4.7
71.33065	4.5
72.08145	15.8
72.78681	3.0
79.05478	5.0
81.03415	9.4
81.07040	12.2
84.08136	3.7
85.02911	83.0
86.09704	10.8
91.05487	8.5
93.07056	3.1
94.06552	4.3
95.04955	5.9
95.08646	2.9
97.02897	46.4
97.06519	5.0
99.04457	3.0
100.16539	4.0
103.03949	7.3
106.54456	2.8
108.08115	13.0
109.02872	14.0
109.06548	4.8
109.10076	2.9
112.07606	20.2
113.46050	3.5
122.06020	9.4
124.99956	4.4
125.06010	6.0
126.05489	9.0
127.03902	26.2
134.06006	4.2
136.07591	19.9
137.05998	5.7
140.07060	55.2
145.04970	17.9
150.05505	2.9
152.07079	20.7
154.08609	5.5
158.08266	3.4
163.06013	5.5
164.07060	22.6
171.11263	4.7
178.05083	3.4
178.08585	16.3
182.08127	100.0
184.07370	14.5
206.08156	32.7
218.08038	3.3
228.10185	3.5
228.13268	4.0
229.10802	4.2
236.09087	4.5
241.13290	3.3
248.09042	8.9
252.10112	4.3
256.09625	4.4
257.04691	3.4
267.11459	7.1
273.13550	3.7
274.10709	8.6
285.12430	16.7
286.10696	9.7
302.09854	15.5
302.17484	23.5
303.05008	28.2
303.10065	3.7
303.13449	8.5
320.18423	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95443	1.0
56.05015	1.1
56.96561	6.1
57.03427	2.0
61.02927	1.6
69.03425	13.1
69.07065	1.3
70.06593	100.0
70.08900	3.9
71.06942	1.3
72.08155	2.8
73.02887	1.5
74.39045	1.2
75.96387	1.1
79.05466	1.4
80.04970	1.1
81.03421	4.6
81.07065	1.4
82.06633	1.5
84.04498	2.1
84.08144	4.6
85.02897	9.0
85.07652	1.4
86.09693	2.7
91.05468	1.5
93.06992	1.1
95.08608	2.3
97.02907	3.7
98.06093	1.2
107.04918	1.1
107.08573	1.1
109.02883	4.0
110.73155	1.1
112.07608	87.7
113.07956	1.7
115.96020	1.1
116.07085	6.7
119.08652	1.0
122.06036	1.6
123.04412	1.7
127.03904	10.5
134.06003	5.5
134.99695	1.8
135.04381	1.6
137.05981	3.3
138.05530	1.8
140.07072	38.6
149.05891	1.4
152.07068	10.8
155.00259	1.4
158.08131	37.3
161.61662	1.1
164.07059	6.6
172.95325	5.9
177.09145	1.6
181.09819	1.1
182.08060	1.3
190.96326	5.0
201.04353	1.3
219.01770	1.4
222.04358	1.5
222.11304	1.9
237.02904	1.7
238.08765	1.2
239.07080	1.5
240.05353	2.6
266.13885	2.2
273.09045	3.8
284.08786	1.5
284.11374	3.3
284.14771	1.6
293.60715	1.3
302.00842	3.5
302.12292	7.6
302.15936	3.9
302.21887	1.8
303.10474	3.2
320.01706	1.3
321.08304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03428	2.1
61.02921	2.9
65.03934	2.1
67.05508	28.3
68.05843	0.8
69.03082	0.9
69.03434	13.6
69.07069	14.6
70.06581	2.7
71.01347	0.9
71.04994	0.8
71.32072	1.4
72.08137	0.8
73.02917	1.4
81.03420	6.3
83.01387	0.6
84.08140	3.2
85.02906	37.4
86.02471	0.7
90.87317	0.7
94.06568	2.1
95.04971	42.7
95.08581	0.7
96.05286	1.1
97.02894	35.7
99.04451	1.9
103.03944	5.0
109.02886	7.2
112.07612	35.1
112.08241	0.6
113.06033	3.9
122.05994	3.3
123.04436	1.4
124.07599	2.1
127.03924	8.6
130.06377	0.6
130.08679	0.9
136.07626	1.8
140.07068	100.0
141.07394	2.5
145.04973	3.5
147.11333	0.7
150.09186	0.8
152.07063	1.1
154.08629	6.6
178.08688	2.6
182.08134	58.9
183.08496	2.7
206.08124	13.5
218.08167	2.0
236.09189	2.0
248.09222	8.3
284.11246	1.6
286.06870	0.6
302.12479	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01855	1.4
56.96560	2.4
57.03439	2.7
61.02924	2.4
61.76063	1.2
65.03944	1.6
67.05507	23.5
69.03424	14.3
69.07065	6.4
70.06586	4.7
71.04993	1.6
71.11082	2.1
71.11393	1.1
72.08134	3.8
75.62757	1.2
81.03412	5.2
81.07070	2.1
84.04482	1.5
84.08139	2.2
85.02907	35.1
85.03428	1.8
85.04660	1.1
86.09701	5.3
86.56582	1.2
91.05470	2.0
93.07105	1.2
94.06535	1.8
95.04971	43.9
95.08603	2.0
97.02891	35.4
97.03514	1.7
99.04454	2.9
103.03931	4.0
109.02871	6.1
112.06829	1.7
112.07608	34.8
112.08357	2.4
113.06001	2.5
116.07101	1.1
122.06006	4.5
123.04401	1.9
124.07638	1.5
127.03920	8.0
130.08678	1.8
132.95842	1.2
136.07567	3.3
140.07066	100.0
141.07372	1.6
145.04988	4.5
152.07040	2.8
154.08662	6.1
164.07011	2.9
167.10226	1.3
178.08630	4.0
182.08131	65.4
183.08434	1.9
199.17949	1.2
206.08157	17.3
218.08067	3.0
236.09181	3.1
248.09251	9.1
286.07156	2.9
302.07043	1.3
302.10226	3.9
302.15656	1.8
302.21896	1.8
303.13956	2.6
314.75870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.18837	1.9
55.05516	10.0
55.10951	2.1
56.96539	2.6
57.07076	4.7
67.05514	11.8
67.84046	2.0
69.03433	4.3
69.07060	8.2
69.71039	13.7
79.05493	8.8
79.33568	2.1
79.41756	1.8
81.07061	18.1
82.71550	2.0
83.08613	6.3
85.06551	2.8
91.05487	11.9
93.07039	16.9
95.04974	15.4
95.08599	23.0
97.06482	2.5
97.10175	2.7
98.21481	2.9
105.07037	20.7
107.07941	3.4
107.08597	28.4
109.06525	7.2
109.10160	12.1
111.04472	3.8
117.07016	7.0
119.04966	3.5
119.08585	35.7
121.06512	3.0
121.10135	16.6
123.08061	4.7
123.11691	4.1
125.09629	2.4
128.06212	3.4
129.07030	3.7
131.08614	13.9
133.10133	19.6
134.99660	3.0
135.08047	8.6
135.11664	10.7
137.09613	5.2
141.07014	4.3
142.07751	4.8
143.08578	10.8
145.10118	28.8
147.04419	4.4
147.08067	3.9
147.11697	8.0
155.08557	5.8
156.09377	4.8
157.10147	18.5
158.07353	2.5
158.11006	2.8
159.08041	5.5
159.11702	15.9
161.09645	8.1
161.13280	5.6
163.11136	4.0
169.10126	11.2
171.11615	12.0
173.09622	7.2
173.13301	8.2
175.11221	2.2
175.14738	2.5
177.09113	4.5
179.10678	2.5
181.10147	2.5
182.10858	2.5
183.11731	10.3
185.09599	2.6
185.13275	9.0
187.11177	3.9
187.14886	4.6
187.22058	2.0
189.09206	2.7
189.12735	2.6
191.10672	3.2
193.10236	3.7
195.11595	2.4
197.13217	13.4
199.14862	9.6
200.15526	3.9
201.12755	3.2
205.12254	3.1
210.10449	2.4
211.11183	4.3
211.14848	7.1
213.12703	3.5
213.16434	4.0
215.10730	2.4
225.12785	9.2
229.12270	4.0
239.14360	4.9
243.13878	4.5
253.19516	14.3
257.19064	5.2
263.18045	2.9
281.18973	19.9
299.17645	5.1
299.20108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1757
Annotation	Fumigaclavine A
Peak:m/z	Relative Intensity
53.60263	0.3
55.05507	1.1
56.96558	0.4
57.03431	0.6
57.07071	0.9
59.05006	0.4
61.02882	0.4
61.40783	0.3
67.05511	1.2
69.03423	0.4
69.07060	1.6
70.06601	2.9
70.06993	0.9
70.07399	1.4
71.08591	0.4
73.68849	0.3
79.05478	0.6
81.03442	0.3
81.07047	1.4
83.04983	0.7
83.08593	0.4
84.04475	0.4
84.08144	0.7
84.09274	0.4
85.02905	1.0
91.05469	0.9
93.07049	1.0
94.06565	0.8
95.04958	0.4
95.08634	1.2
97.02903	0.5
97.10191	0.5
98.97578	0.9
105.07034	0.9
107.05004	0.4
107.08598	1.4
109.10160	0.4
116.98650	0.5
117.07005	0.5
119.08581	1.6
119.10347	0.4
120.08129	0.5
121.06522	0.8
127.03872	0.4
131.07301	0.4
131.08554	0.9
133.10162	0.6
135.11682	1.0
136.06197	5.1
137.05861	1.7
137.83348	0.3
138.00603	0.4
138.05513	0.8
139.89255	0.4
143.08542	0.6
145.08888	0.8
145.10060	0.6
147.04396	1.4
157.07419	0.3
157.08803	0.7
157.10104	0.5
158.09676	0.5
158.31773	0.4
159.08168	1.0
160.11221	1.6
161.09627	0.5
163.91862	0.3
170.09695	2.5
171.10422	0.5
173.09683	0.5
178.07275	0.6
178.09531	0.4
183.10460	0.6
184.11188	0.9
185.12035	2.8
186.12791	4.6
187.07721	0.5
188.05293	0.4
188.10687	1.3
197.11928	0.8
198.09203	0.4
198.12767	2.2
199.09882	0.6
199.13586	1.5
200.10733	0.4
200.14345	2.8
201.07834	0.4
202.12244	0.9
205.10667	1.0
212.10858	0.6
212.14388	6.0
224.14397	0.4
226.08629	0.5
226.12204	0.6
226.15884	0.7
227.09367	0.6
228.13846	6.8
230.11803	1.0
238.12451	0.8
245.22755	0.5
254.11760	1.4
254.15437	0.9
255.12529	1.4
256.13342	8.8
257.16412	3.4
263.14755	0.4
263.23776	0.4
267.00174	0.5
267.14285	0.6
270.14807	1.5
271.18100	1.4
281.16293	1.6
282.14951	0.6
283.03107	1.0
299.06451	3.7
299.17542	100.0
300.17911	2.4
301.06049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03923	0.7
55.05481	2.3
56.96549	0.8
65.20921	0.6
67.05511	4.1
69.03413	1.8
69.07066	5.0
70.19009	2.6
70.19400	1.5
79.05486	4.1
81.03387	0.7
81.07047	4.4
83.04946	1.9
83.08598	2.3
91.05476	26.5
93.06537	0.8
93.07049	7.6
95.04976	1.1
95.08142	0.6
95.08611	6.7
97.06512	1.0
97.10172	0.7
98.21445	0.7
103.05457	1.1
105.06380	1.1
105.07029	12.6
107.04939	1.5
107.08604	6.9
109.06499	1.2
109.10125	2.3
111.08050	1.1
115.04662	0.6
115.05450	2.8
116.06227	4.6
117.07005	2.3
119.04940	5.3
119.07798	0.9
119.08584	12.5
121.06501	1.3
121.10141	6.1
123.08038	2.0
123.11709	0.9
125.09598	1.8
128.06192	1.0
129.06999	5.6
131.08563	36.7
133.06514	1.1
133.10112	3.9
135.08015	1.7
135.11661	2.1
137.05945	3.1
142.07733	1.5
143.04924	0.9
143.08534	3.0
145.06421	1.5
145.10068	3.2
147.04408	1.9
147.08018	1.3
147.11655	1.5
149.09618	5.0
154.07794	0.8
155.08546	2.2
156.09322	1.7
157.10159	4.4
159.08051	100.0
159.11591	1.5
160.08394	0.9
161.09645	2.1
161.13223	1.6
163.03938	1.1
163.11124	1.2
169.10117	1.7
171.11671	4.3
173.09610	0.9
173.13225	0.9
175.07539	1.7
175.11115	1.0
175.14769	0.8
182.10855	0.8
183.11739	2.5
185.09612	2.1
187.11208	1.9
189.09013	0.7
189.12726	3.8
193.10103	1.1
195.08051	0.9
195.11748	1.9
197.13254	3.4
199.11227	5.0
199.14822	1.0
201.12749	1.3
206.10818	1.2
207.11736	1.3
211.11139	1.2
211.14819	1.4
213.12703	1.1
215.14348	1.1
221.13322	1.4
223.14818	2.4
225.12814	3.7
239.14331	1.9
241.15878	1.0
243.13922	1.2
253.19627	1.1
257.18967	1.1
263.17987	2.3
281.19012	24.0
299.06064	1.1
299.09494	1.6
299.17548	3.5
299.20160	41.4
300.20432	1.2
312.86731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Auraptene
Peak:m/z	Relative Intensity
52.93707	0.8
53.03929	1.4
55.01868	1.7
55.05503	6.9
57.03439	5.8
57.07064	3.0
67.05508	13.4
69.03423	1.0
69.07069	4.9
71.01337	2.9
71.05019	1.2
79.05499	7.8
81.03413	2.4
81.07056	19.7
83.04977	2.0
83.08622	3.5
91.05480	12.7
93.07036	7.4
95.04951	3.4
95.08594	8.2
97.06510	1.2
97.10155	2.4
105.07044	7.0
107.04958	15.1
107.08603	6.0
109.06509	1.4
109.10156	6.4
112.62708	0.9
115.05540	1.1
116.43206	0.9
117.07022	1.9
119.04939	10.2
119.08570	6.0
121.06530	1.2
123.08074	0.8
123.11718	1.4
125.09630	1.1
131.08600	1.0
133.10129	9.3
135.04456	1.0
135.08086	1.2
135.11697	2.4
137.13232	2.9
143.08563	1.3
145.10052	1.1
147.04396	2.4
151.11185	4.4
159.11644	1.2
159.79497	0.8
161.09576	2.0
163.03911	100.0
164.04285	1.6
169.12250	1.1
179.10771	1.0
183.11729	0.9
189.08968	1.2
215.12685	1.1
225.11212	5.8
243.12126	1.7
253.19449	1.0
255.07855	0.8
281.13690	1.1
299.14798	11.8
299.20117	2.5
299.25778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01874	13.2
55.05512	48.5
57.03437	35.9
57.07076	3.8
59.04990	2.6
59.75853	1.4
62.55397	1.7
65.03951	1.8
66.11294	1.4
67.05505	62.1
69.03427	7.5
69.07078	13.2
70.06594	2.8
71.01361	37.1
71.04988	7.3
71.10431	3.6
72.08141	1.6
73.02920	6.0
79.05496	46.1
81.03407	9.8
81.07058	50.3
83.04987	12.6
83.08616	17.8
84.04514	2.0
85.02915	5.2
85.06547	4.1
87.04466	2.5
91.05481	37.6
93.07043	34.4
95.04973	13.0
95.08607	15.6
97.02888	2.6
97.05956	1.5
97.06509	9.4
97.10176	20.7
99.00834	2.1
99.04462	2.8
103.05473	1.7
105.07027	27.7
107.04954	4.8
107.08601	35.6
109.02879	4.1
109.06525	8.3
109.09383	1.8
109.10150	36.3
111.02641	1.9
111.04431	4.4
111.08089	2.4
115.05463	2.1
117.07021	7.9
119.08588	14.8
121.06503	2.9
121.10137	3.2
122.05991	2.1
123.04460	3.5
123.08078	7.0
123.11737	3.1
125.09621	16.6
127.03903	2.4
127.11169	2.9
128.06200	4.0
131.08566	5.9
133.10127	20.9
135.08044	9.7
137.02339	5.8
137.05965	4.1
137.09639	3.5
139.11188	2.6
142.07686	1.9
143.08563	5.2
145.10165	2.7
147.04390	2.0
147.07875	2.7
149.09639	2.6
151.11180	11.8
153.09160	7.9
157.10204	2.5
161.09564	8.4
167.10638	1.6
169.12317	3.9
171.10185	5.5
171.11618	3.5
173.13200	1.7
179.10677	6.5
182.82176	2.0
189.09151	3.8
189.11238	4.7
195.10126	2.4
197.11780	3.8
207.10170	7.0
225.11208	38.0
236.12968	2.0
243.12314	6.6
243.42485	1.5
256.13348	4.3
264.16019	10.6
281.13849	6.4
281.18613	4.9
282.07617	2.2
299.05920	5.5
299.10394	4.3
299.14893	100.0
299.17560	16.4
300.15469	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	8.0
53.03939	4.7
55.01868	6.5
55.05512	39.2
56.96568	1.0
57.03439	27.2
57.07072	2.2
59.04998	5.5
59.74215	0.9
61.39601	0.8
65.03944	2.4
67.05175	1.7
67.05507	25.1
69.03432	4.8
69.07070	9.9
70.06570	1.6
71.01360	6.5
71.04974	3.9
71.08614	1.2
72.84248	1.1
72.93846	0.9
73.02905	1.7
74.76360	1.0
76.03993	1.3
79.05063	1.4
79.05490	18.3
81.03416	11.2
81.07058	37.8
83.01309	0.9
83.04976	6.0
83.08134	1.8
83.08618	28.1
84.04499	6.0
84.08140	1.4
85.02899	2.3
85.06557	4.9
86.09710	1.2
87.04455	2.1
91.05478	41.2
92.05812	1.6
93.06471	1.6
93.07048	30.8
95.04983	9.7
95.08607	10.6
97.02883	8.4
97.06543	7.6
97.10168	3.4
98.20744	1.7
99.00819	47.5
99.04452	3.0
101.02411	2.0
103.05456	3.3
105.07034	35.5
106.07401	0.9
107.04279	1.1
107.04959	12.7
107.08595	16.5
109.02872	21.2
109.06526	7.4
109.10146	10.2
111.04442	3.0
111.08089	8.1
113.05999	1.3
114.09128	1.1
115.03938	6.5
115.05405	1.4
116.10366	1.1
116.98632	1.0
117.07011	7.2
119.04946	3.7
119.07803	0.7
119.08575	18.9
120.08954	1.0
121.02831	1.7
121.06509	14.1
121.10117	2.9
122.05179	1.0
123.04403	2.6
123.08053	2.8
123.11681	5.9
125.05989	1.2
125.09619	2.1
127.03938	8.7
128.06209	3.0
129.06961	2.0
130.04997	2.7
131.08527	3.8
133.06503	5.0
133.10127	71.5
134.10419	2.2
135.08035	4.3
135.11691	6.1
137.02303	3.1
137.05943	4.8
137.09590	3.2
139.07561	6.6
141.05447	2.0
143.08566	10.5
145.06407	2.6
145.10117	3.1
147.04414	6.7
147.07999	3.1
147.11671	2.1
148.04762	1.6
151.11180	24.8
153.07018	1.5
159.11682	1.5
161.09621	40.8
162.09982	1.7
163.07515	1.1
163.11159	2.2
165.09146	1.4
165.12660	1.2
169.10136	1.5
171.08057	8.6
171.11691	1.0
179.10674	29.3
183.43179	1.0
189.09114	29.8
190.09508	1.1
193.02989	1.1
197.11710	12.7
204.10248	2.5
207.10121	13.2
225.09007	2.3
225.11220	47.2
243.12155	7.5
255.17809	2.0
256.13287	2.1
267.12128	5.0
281.18967	1.1
299.06143	2.1
299.14825	100.0
299.17352	7.1
299.20361	5.7
300.15622	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	7.4
53.03946	6.2
55.01873	13.7
55.05261	3.0
55.05512	45.0
56.59329	1.5
56.82500	1.7
56.96581	2.7
57.03436	33.4
57.07083	4.3
59.05004	4.9
65.03923	2.3
67.05504	43.4
69.03424	7.7
69.07066	12.8
70.71281	5.9
71.01354	7.0
71.04983	5.2
73.02905	2.4
78.76324	1.7
79.05490	25.8
81.03415	19.6
81.07055	45.7
83.05003	10.0
83.08617	25.6
84.04530	4.1
84.08104	2.1
85.02910	2.8
85.06555	6.2
89.03939	1.6
91.05479	53.5
93.07044	40.2
95.04964	12.3
95.08614	14.9
97.02876	8.5
97.06535	12.3
97.10181	8.9
98.97588	2.0
99.00814	33.9
99.04464	4.3
99.08102	3.7
100.11252	2.5
101.02345	2.1
103.05473	3.2
105.07037	44.5
107.04956	11.7
107.08598	26.8
109.02874	15.6
109.06526	8.6
109.10157	35.6
111.04435	5.0
111.08073	9.3
113.06038	3.9
115.03928	4.8
117.07068	8.5
119.04941	4.5
119.08596	22.4
121.02897	2.5
121.06519	11.9
121.10125	3.3
123.04416	5.1
123.08054	3.4
123.11684	9.7
125.05986	2.5
125.09599	3.8
127.03924	8.8
128.06215	5.9
129.06880	1.9
131.08588	5.3
133.06479	3.6
133.10132	81.8
135.08037	6.5
135.11722	6.4
137.02411	2.0
137.05928	7.4
137.09621	3.8
139.03937	2.0
139.07510	4.6
143.08560	7.7
145.06487	3.1
145.10170	1.9
147.04413	5.9
147.08054	3.2
151.11176	41.5
154.12282	3.7
159.11668	2.4
161.09628	36.4
162.09940	1.8
163.11145	2.3
165.09196	1.9
169.12311	8.8
171.08057	5.7
179.10687	28.3
185.04228	11.9
189.09131	18.5
197.11729	7.8
197.13338	2.2
207.10152	13.5
215.12730	2.2
215.32809	1.7
221.13718	2.2
225.11174	35.5
226.11659	3.1
240.85609	1.8
243.12325	12.9
260.93369	1.7
281.13394	2.6
281.15967	4.4
281.18741	4.0
293.20370	1.8
299.05930	4.4
299.11002	27.5
299.14893	100.0
299.17587	15.4
300.11884	2.7
300.15628	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01876	16.4
55.05513	48.2
56.96566	1.7
57.03439	38.8
57.07065	5.5
59.04984	3.3
65.03947	3.0
65.45981	1.6
67.05508	72.9
69.03422	7.6
69.07080	14.8
70.06577	4.5
70.88053	2.6
70.88390	3.2
71.01357	39.5
71.04989	7.3
73.02915	5.7
79.05496	53.3
81.03415	10.2
81.07059	53.9
83.01330	2.1
83.04994	14.1
83.08624	22.7
84.34943	1.5
85.02905	7.0
85.06545	4.3
86.09722	2.8
86.91584	1.5
87.90630	1.7
89.03893	1.9
91.05481	47.4
93.07048	33.0
95.04979	16.5
95.08611	21.5
97.02876	5.4
97.06535	10.9
97.10176	20.1
99.00785	3.5
99.04449	2.9
101.02341	2.1
103.05431	3.0
104.73447	1.8
105.07034	28.0
105.36238	1.5
107.04956	12.2
107.08596	35.8
109.02885	4.7
109.06502	9.3
109.10159	36.2
111.04430	6.5
111.08076	5.4
113.05956	2.8
117.03388	4.5
117.07027	15.8
118.67446	1.5
119.04922	3.5
119.08587	15.7
120.08109	1.9
121.02866	2.0
121.06510	4.9
121.10148	4.9
123.04429	5.8
123.08079	6.9
123.11705	6.0
125.09635	14.2
127.03944	4.5
127.11237	2.8
128.06248	4.2
129.07008	3.7
131.08539	6.7
133.06516	2.9
133.10149	24.4
135.04298	1.9
135.08064	12.9
135.11684	5.2
136.09900	2.0
137.02335	4.9
137.05948	10.5
137.09666	2.6
139.11163	2.4
143.08565	6.1
145.02811	9.0
145.06493	3.4
145.10069	3.2
147.04430	4.6
147.08038	5.1
150.05408	1.7
151.11195	13.0
152.93166	1.9
153.06944	1.8
153.09103	9.1
157.10075	2.4
160.60941	1.9
161.09592	11.2
166.78772	1.6
169.10083	1.9
169.12228	4.8
171.08147	2.4
171.10150	5.3
173.09589	2.4
177.05501	19.2
179.10670	6.2
189.09093	5.1
189.11252	2.9
197.11748	3.4
197.13411	1.9
197.17929	1.6
207.10187	7.7
212.07062	3.6
212.14432	2.4
224.07077	2.6
225.11226	36.0
226.08641	1.9
228.13994	2.1
243.12384	7.9
252.06517	4.1
253.10144	2.1
254.11852	4.1
255.11865	3.6
256.13315	7.9
259.25781	1.7
267.10159	2.2
281.05823	2.4
281.09238	8.8
281.13632	8.3
282.07480	4.0
282.14365	2.4
299.06042	5.6
299.10117	11.0
299.14877	100.0
299.17615	36.8
300.15399	4.1
300.19647	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	8.2
53.03936	4.7
55.01858	6.3
55.05267	2.6
55.05512	42.9
57.03442	25.5
57.07067	5.0
59.04984	2.7
67.05509	28.7
69.03452	2.6
69.07054	8.9
70.00910	11.6
71.01340	5.9
71.04991	3.1
71.08604	2.0
73.88377	2.0
79.05500	20.0
79.86713	1.6
81.03399	8.8
81.07064	39.0
83.04972	6.2
83.08624	26.3
85.06522	3.0
91.04964	3.3
91.05483	40.4
93.07056	26.4
95.04972	9.7
95.08613	14.0
97.02882	7.9
97.06523	6.0
97.10152	6.2
99.00194	3.2
99.00821	48.5
99.04474	2.3
101.73405	2.2
103.05457	3.3
105.07037	28.7
107.04925	11.1
107.08591	19.9
109.02886	15.7
109.06512	4.6
109.10155	9.8
111.04482	3.5
111.08084	7.1
111.11753	2.4
115.03920	6.7
115.62572	2.0
116.18162	1.9
117.07030	3.8
118.46496	2.1
119.08585	19.5
120.69955	1.7
121.06498	14.7
121.10163	2.4
123.08094	2.6
123.11683	5.7
127.03908	9.0
128.06200	3.0
131.08562	4.5
133.06476	3.5
133.10138	74.8
135.08046	3.8
135.11676	7.4
139.07529	5.6
143.08578	8.5
145.10088	3.4
147.04401	5.1
147.08075	3.0
151.11198	25.1
161.09618	35.1
161.13313	2.3
171.08038	8.0
179.10675	24.8
181.87064	2.4
189.09109	25.6
193.32535	2.1
197.11739	10.6
207.10172	11.4
225.11246	45.5
243.12268	8.6
299.14877	100.0
299.20108	4.7
299.25989	5.8
300.15363	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	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	7.1
53.03933	2.2
55.01858	6.1
55.05268	3.2
55.05511	43.6
57.03186	2.6
57.03437	31.6
57.07067	4.8
59.04991	6.2
65.03920	2.0
67.05505	34.3
69.03409	4.2
69.07076	11.1
71.01357	11.2
71.04968	4.9
71.08619	2.3
71.44674	1.7
71.58236	3.2
71.58608	2.2
79.05492	24.1
81.03432	10.2
81.07061	39.3
82.07382	2.3
83.04974	8.6
83.08618	30.3
85.06521	3.4
91.05478	36.7
93.07043	35.0
95.04980	11.1
95.08597	16.1
97.02872	7.7
97.06518	7.9
97.10164	7.6
99.00808	37.9
99.04439	3.4
103.05450	3.9
105.06390	2.4
105.07037	34.6
107.04963	9.8
107.08604	24.2
109.02867	12.7
109.06506	7.7
109.10152	19.0
111.04428	3.9
111.08082	4.6
113.06013	1.7
115.03908	4.6
117.07022	4.4
119.04928	2.4
119.08589	28.2
121.06515	12.4
121.10137	4.5
123.04428	3.7
123.11674	8.1
125.09598	2.7
126.80133	1.7
127.03893	5.4
129.07002	2.6
131.08556	5.1
133.06488	2.4
133.10130	71.9
134.10440	2.2
135.08055	3.3
135.11691	6.8
137.05916	3.6
137.09521	2.8
139.07538	7.4
141.07010	2.5
143.08537	8.9
145.10132	3.7
147.04382	5.3
151.11188	28.7
159.11633	3.3
161.09637	37.3
171.08044	6.4
179.10674	24.0
189.09132	23.9
197.11714	6.7
207.10211	11.6
225.11208	45.0
243.12218	10.0
248.00876	1.9
281.18951	2.5
299.14859	100.0
299.19907	12.6
299.25760	2.1
300.15210	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	298.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05048	0.6
70.06579	0.3
71.04180	0.3
71.05389	0.6
72.08143	0.4
78.98261	0.3
83.47041	0.3
84.08114	0.3
91.05478	0.3
93.07061	0.3
102.08064	0.3
103.05479	0.5
117.07064	0.4
119.08601	0.3
131.04906	1.9
131.08565	1.1
136.06184	0.9
141.06970	0.6
148.11188	0.7
149.05952	1.5
158.09657	0.9
159.08037	1.9
161.05966	0.6
162.05505	6.5
169.06461	0.3
175.06288	12.8
175.07474	0.6
176.07024	1.0
176.10696	1.3
177.07828	1.7
177.09163	0.8
186.09164	1.4
187.07515	1.9
188.07111	0.3
189.07838	5.9
190.08511	0.3
202.08699	0.3
204.10204	100.0
205.10522	2.8
206.11771	7.4
222.11205	0.3
236.12814	1.0
248.12819	13.9
249.13156	0.4
266.13870	10.9
267.14160	0.4
280.15500	1.3
298.16479	12.5
299.16873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
55.74787	0.2
55.76919	0.2
56.96554	0.2
59.45132	0.2
61.01151	4.3
63.03713	0.2
65.62419	0.2
69.03411	0.4
69.07076	0.2
70.06582	0.2
70.98055	0.3
70.98411	0.3
73.02915	0.2
73.29745	0.2
75.02383	0.2
75.02704	2.0
77.98121	0.2
81.06996	0.2
81.16597	0.2
91.05461	0.2
92.57871	0.1
94.04084	0.4
97.02887	1.3
98.97567	0.3
100.24085	0.2
103.02126	0.4
116.98591	0.3
119.03540	0.4
123.18954	0.2
131.04950	0.2
136.06183	100.0
137.04552	0.4
137.05702	0.2
137.06506	0.7
145.03183	1.5
149.05919	0.2
159.08076	0.4
161.05975	0.2
162.05452	0.4
163.04262	1.5
175.06192	1.0
177.09000	0.2
181.84724	0.2
189.07860	0.4
204.10202	5.8
206.11774	0.4
236.12706	0.3
239.04810	0.2
248.12811	0.9
266.13885	0.7
280.12637	0.2
280.15524	0.6
298.09729	5.8
298.16458	1.1
299.06577	0.3
299.10202	0.2
300.06018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.79465	4.9
55.01872	7.4
55.05516	19.3
57.03430	6.1
57.07071	11.5
67.05509	42.5
69.00400	4.7
69.07082	24.4
70.76906	5.0
70.77247	17.2
71.08638	98.6
76.46696	4.2
79.05499	17.2
81.07057	73.1
82.99376	4.5
83.04996	6.8
83.08620	14.5
85.06566	5.5
91.05476	10.8
93.07056	24.8
95.08609	46.7
97.06580	7.0
97.10179	7.4
99.08106	81.2
105.07037	18.9
107.08598	25.2
109.01118	4.6
109.10150	19.6
111.08097	5.3
116.41010	4.4
117.06988	5.8
119.08591	17.9
121.10153	21.4
123.11726	9.4
125.09654	7.0
127.11173	6.3
129.79968	4.9
131.08580	10.6
135.08084	6.0
135.11690	11.4
137.13260	10.2
139.11186	7.6
145.10172	11.6
147.11693	45.3
159.11757	5.7
161.13197	5.6
163.14873	13.5
165.12820	15.7
167.14314	7.9
173.13213	5.1
181.15855	10.3
233.15370	11.3
243.21204	18.1
253.73868	4.6
261.22183	19.8
261.55435	5.2
266.12543	8.9
279.23227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.13321	3.7
55.01875	63.2
55.05512	32.1
57.07065	14.9
67.05508	68.2
69.07072	100.0
70.90610	7.3
70.90942	7.0
71.04990	8.5
71.08630	7.8
71.12292	3.5
72.13998	3.4
79.05500	31.4
81.07059	69.2
83.04984	21.3
83.08621	48.3
85.06546	5.7
91.05479	8.3
93.07047	64.5
95.08607	61.5
97.06540	18.1
97.10171	14.0
104.24489	3.9
105.07034	10.7
107.08589	43.4
109.10168	39.8
111.08081	11.0
113.09679	6.0
117.07042	6.5
119.08578	5.2
121.10146	31.2
123.11700	14.5
125.09621	6.3
127.49091	3.4
131.08525	5.5
133.10146	9.0
135.08035	5.8
135.11687	40.0
137.09596	5.9
137.13252	7.2
145.10132	7.4
149.09604	8.6
149.13252	11.1
151.14859	4.6
153.09155	8.7
153.12762	64.7
159.11688	5.5
161.13225	5.3
163.11174	6.0
163.14751	4.0
167.10698	5.2
171.11597	4.4
172.59323	3.4
173.13254	5.2
181.12187	4.3
183.13794	8.0
183.77150	3.4
209.54782	3.4
219.21214	3.5
233.22626	20.8
243.21136	18.6
251.23665	15.0
261.22137	29.6
266.12677	9.7
279.20352	6.7
279.23212	98.5
280.23239	3.5
285.30539	3.6
297.21887	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	296.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77522	0.6
53.03936	1.4
55.01865	0.8
55.05518	0.5
67.05493	1.0
69.07065	1.1
70.04066	0.9
70.51109	2.0
70.51461	0.5
79.05489	1.2
81.03384	0.6
81.07062	1.2
82.06506	0.6
85.02886	0.9
86.09713	0.6
91.05474	9.0
92.05817	0.7
93.07042	17.8
94.06588	0.5
95.04958	5.0
95.08611	1.1
96.08044	0.5
97.06506	0.7
103.05455	11.1
104.42239	0.5
105.04496	0.8
105.07030	1.9
107.04929	1.2
108.05296	0.8
109.10136	0.7
118.06519	4.4
121.06501	93.1
122.06815	1.4
132.08049	0.7
137.05940	1.1
146.09586	1.2
176.14346	68.1
177.14723	1.3
203.08241	0.6
206.94298	0.5
216.20786	0.6
224.82932	0.5
234.10394	1.6
235.07506	1.3
250.09880	2.0
265.12161	4.1
296.20074	100.0
297.13187	4.0
297.20554	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	296.201
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02381	0.3
53.03940	1.6
55.01864	0.5
55.05508	1.3
56.96558	0.7
57.03440	0.6
57.40356	0.3
58.16569	0.4
58.86053	0.4
67.04039	0.4
67.05501	1.2
69.07056	1.4
69.41101	3.7
70.04069	0.5
79.05485	0.5
81.03401	0.6
81.07052	1.3
83.08640	0.4
86.09703	0.6
91.05478	10.4
93.07045	16.5
95.04964	4.0
95.08599	1.2
97.02923	0.4
97.06489	0.5
98.97563	0.5
100.11279	0.5
102.89515	0.4
103.05467	10.1
105.04517	0.8
105.07011	0.9
107.04974	0.8
107.08602	0.9
109.10149	0.9
110.10484	0.4
111.08086	0.5
114.14745	0.4
118.06541	4.0
121.06499	96.3
122.06823	1.2
132.08093	1.3
133.08888	0.6
135.04422	0.5
137.05975	0.6
146.09639	1.4
168.13858	0.4
176.14345	63.6
177.14665	1.4
234.10254	0.7
235.07513	1.0
250.09897	1.4
261.10800	0.5
265.12170	1.9
269.12155	0.5
277.14893	0.4
278.08710	0.4
296.20081	100.0
297.20532	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03936	8.0
55.01867	15.6
55.05511	26.8
57.03421	4.1
57.07070	8.3
65.03944	2.5
67.05168	3.8
67.05505	50.2
69.03429	3.9
69.07069	27.0
71.04984	5.7
71.08635	16.8
71.32448	3.2
78.37848	1.7
79.05492	31.5
81.03420	23.2
81.07056	43.8
83.04987	8.7
83.08625	13.0
85.02917	1.7
85.06547	4.3
86.52787	1.8
91.05483	25.0
93.07050	45.3
95.04974	23.3
95.08613	38.5
97.06559	9.7
97.10153	14.0
99.08086	11.9
103.39677	2.0
105.07029	22.7
107.04977	3.7
107.08596	24.2
109.06537	10.3
109.10162	23.9
111.11699	1.9
117.07041	4.1
119.08591	24.1
121.06548	3.3
121.10146	19.5
123.08094	8.6
123.11692	4.4
125.09650	8.2
129.07016	4.0
131.08568	9.6
133.10136	20.5
135.08089	2.7
135.11659	13.4
137.09630	18.4
139.11156	9.6
142.07771	3.5
143.08563	7.9
145.10161	6.2
147.11699	9.6
149.09578	1.8
149.13290	6.1
151.11177	19.1
153.12863	2.2
155.08493	2.0
156.09415	2.5
157.10197	5.8
158.11037	2.3
159.11774	7.1
161.13301	6.0
163.11169	2.4
163.14862	2.5
165.12802	3.2
167.10738	2.7
167.14230	1.9
169.10078	2.8
171.11765	9.6
173.13271	17.0
175.14813	5.7
179.14360	5.1
181.12300	2.2
185.13243	4.8
187.14964	2.8
189.11263	2.3
193.15840	2.7
195.11807	2.0
195.13890	2.0
197.13235	2.4
198.58109	1.9
199.14885	5.3
202.18831	1.8
211.14908	3.6
221.15471	5.6
231.21091	3.4
234.10600	2.1
241.19531	2.7
249.22240	5.0
258.06680	5.2
259.20569	2.7
265.12323	6.1
277.21640	100.0
278.22018	3.4
295.03400	3.5
295.22787	90.6
296.23138	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	296.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05505	0.6
56.05015	0.7
56.96565	0.7
61.02917	0.6
67.05483	0.5
68.05021	1.0
69.03413	1.2
69.07071	0.8
69.81424	2.4
70.04078	1.0
70.06579	0.5
70.43929	0.5
79.05470	1.4
81.07045	0.6
83.04980	0.5
84.04462	0.5
84.08149	0.6
85.02885	1.3
87.04479	0.7
91.05447	4.3
93.07028	1.2
94.06551	0.7
95.08578	0.5
96.94381	0.4
97.02859	0.7
98.05999	0.6
105.07031	4.8
106.08114	0.5
107.04958	0.6
107.08595	1.8
112.03988	0.5
115.05437	1.0
116.98626	0.6
117.07041	2.9
118.06553	0.7
119.04906	0.8
119.07300	0.9
119.08573	4.5
120.08076	1.2
121.06512	0.6
121.10131	0.5
123.04381	0.6
128.06221	2.0
129.07013	3.2
130.06500	1.0
131.04898	0.6
131.08546	2.1
132.05766	0.7
132.08055	1.2
133.06470	1.6
133.08929	0.7
133.10124	2.6
134.05957	0.9
134.09619	0.9
136.07574	0.8
137.05936	1.3
143.07423	1.0
143.08560	4.2
144.08078	1.5
145.06491	3.2
145.09091	0.6
145.10106	3.7
146.09680	1.0
147.08028	5.4
148.07552	2.8
148.11203	1.4
149.09637	3.1
153.07025	0.8
155.08499	1.4
156.08133	0.6
157.06537	1.0
157.08858	0.9
158.07295	0.9
158.09537	0.8
159.08043	1.2
160.07521	1.0
161.05984	1.1
161.08360	1.3
161.09615	3.8
162.05472	1.1
162.09113	1.0
162.12735	2.6
164.10680	0.7
165.09103	2.2
167.07187	0.5
170.06097	0.5
170.09612	0.8
171.06738	1.1
171.08058	2.3
172.07562	1.0
172.11188	6.3
173.05939	1.7
173.09605	3.0
174.06766	0.8
174.09135	0.9
175.06195	0.9
175.07538	5.4
176.07076	1.8
176.10585	0.6
182.09639	1.2
183.07991	0.6
185.08348	1.0
188.10744	0.9
189.07782	1.1
189.09149	8.3
190.08643	2.1
190.12260	14.5
192.10280	0.9
193.08614	3.0
200.10692	5.7
201.09056	2.9
202.08635	0.6
203.07040	0.6
204.10170	1.7
207.10161	0.8
217.07198	0.7
218.11754	16.6
228.10257	1.1
232.13324	1.5
233.08136	0.5
234.10556	0.9
235.07512	1.1
246.11270	2.9
250.09944	1.1
250.14430	0.6
260.12872	0.6
264.12347	0.8
265.12238	3.5
278.13818	6.7
296.14908	100.0
297.15216	2.0
299.06158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03934	13.1
55.01870	3.6
55.05513	25.5
57.03431	4.9
57.07073	7.6
67.05501	48.5
68.63152	2.7
69.07071	38.5
70.69571	2.8
71.04992	4.4
71.08622	9.1
79.05497	32.9
80.92245	3.5
81.03416	58.6
81.07048	44.2
83.04984	14.0
83.08604	12.6
91.05466	20.6
93.07039	36.8
93.88313	3.2
93.98230	2.8
95.04967	32.4
95.08607	27.4
97.06532	4.6
97.10164	8.9
102.64826	2.9
105.07037	20.4
107.08578	21.7
109.06502	9.5
109.10145	13.2
111.08020	2.9
117.07066	5.4
117.52364	3.0
119.08582	8.3
121.10133	9.0
123.11694	9.3
125.09647	11.3
125.85699	3.3
133.10156	19.1
135.08035	4.3
135.11653	13.4
137.09566	4.3
142.13127	3.4
144.62228	2.9
145.10071	3.1
147.11705	14.6
149.13226	7.3
151.11183	40.8
151.73918	3.6
153.09105	3.7
161.13257	9.9
165.12737	9.1
167.67160	3.2
169.50813	3.4
173.13187	3.7
175.14830	5.1
179.14325	8.0
189.11276	3.6
207.13757	4.4
228.61172	3.3
231.21046	11.2
241.19475	4.9
249.22096	5.9
259.20605	6.4
277.21622	100.0
278.21729	3.5
288.28033	2.7
295.22675	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03940	2.6
55.01876	38.9
55.05262	2.4
55.05515	37.0
57.03428	3.5
57.07072	7.7
67.05167	3.7
67.05506	52.8
69.03438	2.8
69.07072	36.3
71.04986	5.4
71.08635	21.2
71.19215	2.1
71.19548	3.2
79.05498	34.2
81.03430	9.1
81.07063	57.6
83.04983	11.6
83.08623	31.9
85.06528	3.1
91.05486	22.7
93.07047	42.2
95.04980	10.4
95.08607	37.5
97.06538	43.0
97.10185	9.0
99.08096	13.9
103.80581	1.7
105.07027	26.0
107.04950	5.0
107.08608	24.9
108.08965	1.9
109.06537	4.4
109.10168	18.8
111.08106	9.6
113.09682	1.9
117.07028	3.9
119.08578	22.0
121.06484	2.0
121.10146	29.8
123.08081	4.0
123.11726	8.7
125.09642	5.9
131.08574	6.5
133.10139	17.3
135.11700	21.4
137.09644	5.3
137.13225	1.9
139.11171	4.0
143.08591	4.3
145.10138	6.8
147.10622	3.3
147.11690	31.4
149.09634	2.5
149.13293	10.4
151.11169	12.1
157.10143	2.3
159.11649	2.8
161.13283	16.1
163.11197	5.6
163.14827	6.4
165.12741	12.5
167.10683	4.2
167.14351	2.4
171.11726	6.3
171.92647	1.9
173.13298	4.5
175.11183	3.2
175.14799	3.3
179.14348	12.8
180.93118	2.2
185.13266	4.6
189.12770	5.9
193.12340	2.0
199.14845	3.4
207.13766	3.4
213.95683	3.3
221.15289	3.2
231.21162	3.1
241.19447	5.1
249.22086	4.2
259.20557	12.2
265.12225	4.3
273.77451	1.8
277.21637	100.0
295.16779	4.5
295.22653	26.4
309.70471	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.95574	1.7
53.03941	5.8
55.01872	11.3
55.05514	46.6
57.03452	3.7
57.07066	8.4
65.03912	2.0
67.05507	88.5
69.03423	4.5
69.07072	29.2
69.90765	9.9
71.04988	5.7
71.08632	15.0
79.05064	2.7
79.05496	39.3
81.03432	10.3
81.07057	60.6
83.04981	11.3
83.08615	31.2
85.06537	6.6
85.10176	2.5
91.05479	28.6
93.07040	51.6
95.04966	15.1
95.08604	39.9
97.06504	11.5
97.10175	27.8
99.08109	10.2
100.45130	1.6
105.07039	23.2
107.04956	3.9
107.08595	34.0
109.06524	7.1
109.10158	30.9
111.08092	7.2
111.11747	2.7
113.09640	2.9
117.07032	7.9
119.08575	16.4
121.10143	21.4
123.08089	5.2
123.11710	6.9
125.09621	20.9
129.07057	4.3
131.08533	8.6
133.06467	1.7
133.10153	18.0
135.08055	5.0
135.11690	19.1
137.09578	6.2
137.13274	2.4
139.11140	9.3
143.08553	4.0
145.10139	7.5
147.11664	12.0
149.09651	2.2
149.13284	12.9
151.11191	12.6
151.14867	1.9
153.09010	2.3
153.12709	2.5
157.10196	4.2
159.11678	4.2
161.09564	3.1
161.13280	13.1
163.11176	4.1
163.14845	3.2
165.12787	6.3
171.11667	5.9
173.11671	2.2
173.13240	3.4
175.11197	2.5
175.14835	6.1
177.12700	3.6
177.16434	1.9
179.14317	6.0
180.76361	2.5
181.12355	3.2
184.07321	2.1
185.13261	3.9
189.11212	13.3
193.12410	2.0
193.15900	3.1
202.28415	1.8
203.14297	2.3
207.13779	4.1
221.15382	3.8
231.21077	3.9
235.16931	2.0
241.19545	7.2
249.22061	2.0
259.20612	16.0
265.12369	4.3
277.21640	100.0
278.22003	2.7
295.17032	2.5
295.22702	54.6
296.23032	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	295.2269
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03952	5.3
55.01875	16.4
55.05513	49.6
57.07073	11.8
67.05503	69.3
69.07069	27.9
69.97647	18.9
71.04997	5.3
71.08630	37.8
74.99596	2.8
79.05495	39.4
81.03410	10.0
81.07056	57.4
83.04981	11.4
83.08614	28.4
84.28338	3.2
85.06537	3.8
91.05468	26.8
93.07050	43.1
95.04985	16.6
95.08609	43.7
97.06519	6.0
97.10178	19.0
99.08086	33.0
105.07050	21.2
107.04967	3.9
107.08583	26.6
109.06550	5.7
109.10146	22.9
111.08094	21.4
113.09683	3.9
117.07020	8.1
119.08552	17.9
121.10133	22.8
123.11722	6.9
125.09638	17.2
131.08546	6.2
133.06517	3.8
133.10124	18.5
135.08075	4.8
135.11758	16.7
137.09607	5.0
139.11201	4.9
145.10149	9.3
147.11684	13.2
149.09612	6.5
149.13280	15.3
151.11197	29.3
153.09337	3.6
157.10086	4.2
159.11705	6.7
161.13283	14.7
163.11201	9.9
165.12724	8.5
171.11714	6.3
173.13312	4.5
175.11096	3.4
175.14763	4.0
177.12759	3.8
179.14311	12.8
189.11266	16.0
195.13794	7.5
199.14700	3.8
241.19415	6.4
242.98598	3.4
249.22067	4.2
259.20535	10.6
260.70590	3.0
265.12265	6.4
277.21625	100.0
295.22693	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03935	2.8
55.01854	2.5
55.05512	12.9
57.03425	3.6
57.07074	2.4
57.52133	0.9
65.03904	0.9
66.98605	0.9
67.05508	26.6
69.03416	1.1
69.06711	1.4
69.07062	12.9
70.20144	3.0
71.04980	2.6
71.08632	16.4
79.05067	1.4
79.05490	14.3
81.03419	9.5
81.07061	18.7
83.04992	7.7
83.08610	4.2
85.06550	3.0
91.05482	8.7
93.07048	18.1
95.04971	13.3
95.08604	12.4
97.06512	4.5
97.10162	3.4
99.08088	9.7
105.07031	5.1
107.08591	9.4
109.06500	2.7
109.10154	10.7
111.08086	0.9
117.07024	1.8
119.08580	6.5
121.06513	1.0
121.10144	7.7
123.11689	1.7
126.75677	0.8
127.11209	1.2
129.06975	0.9
131.08582	1.3
133.10123	3.3
135.08023	1.4
135.11681	5.1
137.09618	7.7
139.11206	2.4
145.10129	2.0
147.11694	2.7
149.13306	2.1
151.11194	17.0
153.12761	1.7
161.13283	3.1
163.11162	3.3
163.14693	1.0
165.12738	2.4
167.10770	1.0
171.11768	1.1
175.14755	1.6
177.12794	0.9
179.14322	4.9
184.07309	2.9
185.13307	1.1
193.15878	1.5
203.12645	1.1
221.15411	2.4
241.19698	1.3
249.22231	1.9
259.20529	1.5
277.21637	55.9
278.22092	2.4
279.96979	1.0
295.22687	100.0
296.22983	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	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03944	8.1
55.01862	14.4
55.05513	77.7
56.05841	10.9
57.03435	11.5
57.07067	16.6
59.39607	3.9
67.05505	97.6
68.05836	4.5
69.03439	8.8
69.07075	39.6
69.86525	26.7
71.05002	8.6
71.08637	39.4
79.05503	64.8
80.05814	5.6
81.03433	19.8
81.07065	71.0
82.07416	6.8
83.04989	19.3
83.08625	30.4
84.08950	7.9
85.02924	4.1
85.06522	4.1
85.52077	4.2
86.09674	4.9
91.05473	41.0
93.07051	58.9
95.04978	20.9
95.08064	4.4
95.08618	52.7
97.06536	8.9
97.10173	50.6
98.10513	19.4
98.21403	5.7
99.08102	41.5
104.10732	7.6
105.07044	37.6
107.04934	7.2
107.08598	58.0
108.08914	11.7
109.06529	13.8
109.10159	31.5
111.08067	5.2
113.09646	10.2
117.07030	14.7
119.08585	28.5
121.10158	17.9
123.11689	4.0
125.09665	30.8
126.09988	10.6
127.10216	6.3
129.06973	9.8
130.48160	4.1
130.72037	3.9
131.08595	12.9
133.10135	19.2
135.08080	10.2
135.11690	18.8
137.06021	4.4
137.09610	5.3
139.11195	4.7
143.08591	6.2
145.10129	11.4
147.11725	11.4
149.13255	14.4
151.11224	26.8
157.10176	6.5
159.11702	10.2
161.13272	19.1
163.11197	15.5
163.14847	7.6
165.12787	8.8
171.11725	7.6
175.14977	6.7
179.14340	13.1
184.07327	11.6
185.13342	7.6
189.11217	22.9
190.11588	13.6
191.11697	5.5
221.15367	6.7
241.19595	5.5
250.09911	7.6
259.20602	16.0
265.12289	9.2
272.30756	4.2
277.21625	100.0
295.13260	10.8
295.22742	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03951	6.3
55.01876	10.6
55.05513	40.1
57.03442	3.0
57.07079	14.5
60.08160	3.5
65.77988	2.4
67.05507	79.0
69.03437	4.8
69.07069	22.3
70.05759	5.7
70.06165	8.7
71.08636	27.6
72.12709	2.3
79.05500	35.0
81.03430	10.9
81.07063	48.5
83.04977	9.2
83.08620	24.4
85.06566	15.1
86.09727	5.0
91.05487	24.9
93.07057	43.4
95.04941	13.1
95.08611	34.4
97.06531	9.3
97.10171	27.5
98.20786	3.1
99.08097	29.4
99.08681	3.5
104.10752	7.9
104.46883	2.4
105.07041	25.8
107.04984	13.0
107.08582	32.8
109.06522	6.4
109.10160	27.0
111.08084	10.8
113.09632	4.4
117.07005	4.2
119.08602	11.9
121.10155	16.9
122.68182	2.8
123.08067	5.0
123.11724	5.1
125.00018	4.5
125.09631	22.7
129.06993	3.9
131.08601	6.7
133.10146	10.7
134.43610	2.8
135.08086	5.3
135.11691	22.3
137.09645	8.9
141.09082	2.9
143.08606	6.1
143.10683	3.1
145.10109	7.9
147.11694	12.7
149.09579	2.6
149.13287	11.3
151.03804	3.8
151.11194	33.7
159.08156	3.5
159.11713	6.5
161.13252	14.9
163.11205	9.0
163.14864	3.8
165.12764	5.5
171.11719	4.5
173.13258	6.2
175.14813	9.9
177.12842	4.0
179.14331	10.1
184.07347	9.4
185.13309	8.0
189.11201	19.8
203.14433	3.9
207.13779	3.2
221.15352	3.6
235.07487	3.4
241.19521	7.4
259.20517	13.3
263.07193	3.8
265.12494	5.8
277.08572	10.5
277.21646	100.0
295.09943	4.6
295.19705	3.9
295.22610	15.8
296.25659	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	4.0
55.01864	16.8
55.05513	39.4
56.96570	3.5
57.03435	5.1
57.07067	11.1
62.60979	2.6
67.05507	62.4
69.03441	7.1
69.07066	35.6
69.91778	17.9
71.04977	7.3
71.08642	26.0
79.05494	36.1
81.03416	20.7
81.07058	68.5
83.04974	12.8
83.08615	26.3
85.06537	6.5
85.10181	3.7
91.05489	33.3
93.07048	42.2
95.04954	19.6
95.08604	41.3
97.06518	13.9
97.10178	20.3
98.20768	4.0
98.97563	7.6
99.08119	26.3
105.07049	24.9
107.04957	13.6
107.08601	32.8
109.02884	3.1
109.06501	3.4
109.10155	25.8
111.08086	13.7
111.11713	3.4
113.09669	8.3
113.87361	3.0
116.98628	6.9
117.07062	4.2
119.07872	3.1
119.08582	17.6
120.91492	2.8
121.10110	18.6
123.04422	5.4
123.08081	8.6
123.11745	14.3
124.07554	3.9
125.09655	17.0
129.07027	4.9
131.08594	11.2
133.06529	4.4
133.10120	20.3
135.08130	3.5
135.11682	17.2
137.06000	3.3
137.09607	8.1
137.13258	3.9
139.11176	7.3
143.08591	4.0
145.10146	9.4
147.11678	17.3
149.09628	6.3
149.13272	9.3
151.11171	23.9
153.12769	4.6
161.13235	16.6
163.11220	12.0
163.14883	3.4
165.12796	8.4
171.11676	7.4
175.11183	3.7
175.14856	5.7
177.00737	6.3
177.05420	4.0
177.12787	4.3
178.85431	3.1
179.14336	9.2
184.07391	4.6
185.13300	4.3
189.11229	9.6
189.12894	3.7
196.86720	3.0
211.32455	3.0
231.21112	5.1
234.10600	3.4
241.19452	6.2
249.22176	9.4
250.09993	4.6
259.20584	14.8
265.12234	5.7
274.09622	6.6
277.12085	3.4
277.21640	100.0
278.17551	10.8
295.22723	50.3
296.18750	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01883	3.0
55.05501	11.9
57.07088	3.3
67.05506	82.9
67.22537	3.1
69.07053	10.0
71.49628	6.5
79.05483	10.5
81.06580	5.0
81.07058	100.0
83.08608	4.2
88.86903	3.0
91.05463	3.3
93.07049	8.3
95.08609	75.9
105.07023	5.5
106.21042	3.0
107.08605	7.7
109.10168	40.0
111.00930	3.0
117.07046	3.4
119.08546	5.7
121.10152	7.5
123.11708	27.1
133.10109	4.5
135.11681	9.1
137.13231	11.8
151.11118	3.6
159.11690	5.2
163.14857	4.3
167.18536	3.3
173.13205	4.7
187.14757	4.7
200.72993	3.1
225.78128	3.7
243.21048	7.1
261.22073	9.2
293.24799	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1702
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
51.45295	0.5
52.08941	0.6
55.01850	0.9
55.05494	0.7
57.03428	2.5
59.11750	0.6
61.02925	1.3
67.05501	1.8
69.03435	3.8
69.07070	2.9
69.82913	4.1
70.06586	0.9
74.95040	0.6
78.83830	0.5
79.05475	2.1
81.03418	1.3
81.07045	1.2
83.04967	0.6
85.02901	1.0
87.08112	0.8
88.53863	0.6
91.05473	2.7
93.07021	1.5
94.06562	0.8
95.04977	1.0
95.08617	0.7
97.06532	8.2
97.83058	0.6
98.20821	0.8
105.07011	2.2
107.04913	1.5
109.02841	1.9
109.06540	0.7
115.05427	0.8
117.06998	2.7
118.06557	0.7
119.04928	0.8
119.08604	1.2
120.08096	1.0
121.06504	1.3
121.10188	0.8
123.04379	0.7
124.07577	0.9
125.56756	0.6
128.06195	1.0
129.07002	1.0
131.04889	1.8
132.08057	0.6
132.77249	0.6
133.06494	4.4
133.10098	1.0
135.04463	0.7
136.07544	1.0
137.05962	4.6
138.05446	0.7
141.06964	0.7
143.08540	2.7
144.05641	0.8
144.08099	0.8
145.06494	18.4
145.10080	2.9
146.06024	2.1
147.04391	2.5
147.06802	1.5
147.07982	0.9
148.07571	1.4
149.05998	3.3
151.03906	1.2
155.08563	1.3
158.07248	1.3
159.04401	0.8
160.07626	1.0
161.05986	0.7
161.08408	1.2
161.09615	4.6
162.05476	0.7
162.09181	3.3
162.12828	0.9
163.07564	2.2
164.07051	1.9
167.07054	1.5
171.08067	2.2
172.11166	0.9
173.09616	10.0
175.07503	2.0
176.07054	8.8
180.06555	1.1
183.08038	1.2
187.11240	1.3
189.09120	31.1
190.12260	3.1
191.10687	1.3
200.10667	1.1
201.09109	29.1
205.12265	2.0
208.09697	1.6
209.09583	1.0
215.10638	2.7
218.11761	52.5
219.12115	1.0
227.10892	0.8
231.10114	0.8
233.11752	4.4
244.13425	1.8
248.12791	2.3
262.14383	16.2
265.14291	1.2
276.12616	1.3
276.15942	6.5
277.10367	0.7
285.02118	0.6
294.17004	100.0
295.17401	1.1
298.51910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03945	1.7
55.01861	2.9
55.05508	13.3
56.16056	0.9
57.07067	3.7
65.03928	2.3
67.01109	1.1
67.05506	100.0
68.38693	1.0
69.07072	14.7
70.85559	3.6
71.05002	1.9
79.05493	22.8
79.05957	1.5
81.03426	1.7
81.07056	98.2
83.04957	3.0
83.08608	9.8
83.42548	1.0
85.06532	3.3
91.05483	11.5
93.07050	22.4
95.04977	5.7
95.08610	86.3
97.06536	5.2
97.10162	4.0
99.08131	1.4
105.07018	11.0
107.04971	1.6
107.08601	34.0
109.06516	3.5
109.10159	34.0
111.08131	1.2
111.11705	1.3
117.07019	3.5
119.08604	10.3
121.06488	2.2
121.10138	12.7
123.08083	2.8
123.11709	16.6
125.09615	3.5
131.08582	9.6
133.10141	9.4
135.08020	3.3
135.11684	8.3
137.09616	6.0
137.13260	8.4
138.30251	1.1
139.11127	2.0
139.46886	0.9
143.08600	1.7
145.10144	7.7
146.62709	1.0
147.11696	5.9
149.09645	5.9
149.13249	4.3
151.11180	2.2
151.14815	4.0
157.10176	1.3
159.11700	6.8
161.13222	2.7
162.96347	1.0
163.11203	5.6
163.14807	2.9
165.12772	2.5
165.16397	2.0
173.13232	6.4
177.12794	4.0
177.16371	2.1
179.14333	2.3
187.14841	4.0
189.11189	3.0
191.14270	3.6
195.13750	2.5
219.21086	1.9
223.16910	1.5
227.91496	1.4
237.11078	1.7
237.18568	1.3
239.18053	1.2
243.21109	7.8
257.18988	3.0
261.22189	6.8
275.17047	0.8
275.20078	22.6
293.21106	6.9
293.24716	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03932	4.2
55.01873	8.9
55.05263	3.7
55.05515	57.0
57.03442	5.4
67.05505	41.4
69.03423	8.0
69.06720	3.2
69.07073	39.4
70.85337	3.1
70.85670	3.6
71.04984	3.2
78.43626	1.9
79.05498	49.8
81.03424	6.4
81.07059	46.1
83.04971	8.1
83.08631	30.7
85.06523	2.7
91.05489	34.4
92.74283	2.2
93.07047	50.4
95.04984	21.4
95.08613	30.6
96.86509	2.2
97.06539	9.6
97.10178	57.7
105.07028	26.7
107.04961	13.0
107.08599	49.7
109.06522	6.8
109.10147	15.8
111.08144	2.8
117.07034	11.4
119.08597	23.9
121.06548	4.6
121.10175	30.6
123.08079	6.7
123.11665	2.3
125.09641	45.6
129.06999	3.1
131.08569	18.5
133.10144	22.9
135.08044	23.6
135.11707	7.5
137.09619	3.8
139.11180	13.7
143.10657	3.4
145.10097	12.4
147.11694	12.9
149.09673	10.6
151.11206	4.5
153.09077	4.5
159.11711	6.0
159.16505	2.1
161.13269	3.6
163.11232	4.9
171.10179	3.7
171.11612	3.2
173.13301	3.4
183.11699	2.6
187.13324	2.2
189.11224	45.6
189.12733	2.4
191.14369	3.1
201.16373	2.3
203.12791	13.6
237.14920	8.9
239.18024	3.9
247.20656	5.4
257.19037	11.6
274.49008	2.2
275.20068	100.0
293.21130	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.39606	1.2
53.03950	2.3
55.01872	6.4
55.05515	16.2
57.03430	3.7
57.07074	2.7
67.05510	24.1
69.07074	26.9
69.95748	1.3
71.04997	2.5
72.14603	1.4
79.05068	2.0
79.05502	35.3
80.97644	1.3
81.03424	4.0
81.07061	30.5
83.04994	4.8
83.08621	7.8
85.06573	1.3
91.05487	22.1
93.07050	29.7
94.09127	1.3
95.04958	9.3
95.08616	19.9
97.06520	7.2
97.10177	6.1
98.20677	2.3
105.06387	2.1
105.07037	23.1
107.04955	32.8
107.08604	31.3
108.71989	1.7
109.06542	5.6
109.10154	7.3
110.24129	1.2
111.08095	3.0
117.07027	5.8
119.08579	20.9
121.06512	3.6
121.10154	12.2
123.08080	3.3
123.11706	3.6
125.05946	1.4
125.09668	2.3
131.08562	10.6
133.10126	17.9
135.08057	25.3
135.11684	2.7
137.09618	2.5
137.13277	1.8
139.11191	5.0
141.07065	1.4
145.10153	8.1
147.11688	11.4
149.09639	8.3
149.13148	1.7
151.10049	1.5
151.11183	5.3
159.11688	6.8
161.13278	3.0
163.11160	2.8
171.11690	1.7
173.13274	3.3
175.11230	2.3
177.12712	1.4
181.12245	1.8
183.11736	2.9
185.13301	1.6
189.11269	2.6
191.14351	1.6
195.63881	1.6
201.12708	1.9
201.14705	1.5
203.12801	5.7
219.13770	2.1
219.17531	1.6
229.19466	2.5
229.60535	1.3
237.11186	3.5
237.18462	2.1
239.18054	2.9
247.20587	3.1
257.19058	12.9
275.20081	100.0
276.20370	2.8
293.21158	21.8
294.39539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	2.3
55.01876	5.8
55.05266	1.6
55.05515	22.6
56.96566	1.5
57.03436	1.4
57.07061	1.6
58.27796	1.0
63.62156	1.1
65.03936	1.9
66.74360	1.0
67.05511	22.9
69.03423	3.2
69.07074	14.3
69.77930	6.0
71.04993	1.7
79.05502	33.9
81.03416	3.0
81.07064	24.6
82.54294	1.3
83.04984	3.2
83.08630	10.2
85.06540	2.1
91.05483	25.8
93.07051	18.6
95.04981	7.8
95.08614	19.6
97.06544	5.6
97.10192	13.7
105.07040	30.0
107.04948	5.4
107.08602	100.0
108.08984	1.7
109.06533	8.0
109.10154	8.9
111.08076	1.8
116.98629	1.7
117.07042	3.9
119.06059	1.5
119.08599	16.3
121.06525	2.7
121.10156	10.1
123.08102	2.8
123.11699	2.9
125.09645	12.0
129.07021	1.7
131.08601	7.2
133.06575	1.3
133.10141	18.2
134.99666	1.2
135.08080	4.4
135.11682	3.5
136.74580	1.3
137.09607	2.5
143.08643	2.2
145.10152	10.4
147.11694	13.0
149.09627	11.7
149.13249	2.0
151.11186	3.7
155.08606	2.3
159.11725	4.5
161.09660	2.1
161.13289	4.1
163.11214	4.9
165.12804	1.5
169.10144	1.4
171.11722	2.4
173.09782	1.5
173.13284	3.2
175.11234	1.7
181.12289	1.7
185.13380	1.7
187.11070	1.4
189.11220	11.8
190.07782	3.9
195.08109	1.8
197.13261	2.3
218.07260	4.7
220.60599	1.3
229.19434	1.7
231.08089	2.3
233.09746	1.8
237.09128	3.7
239.17972	6.2
245.81044	1.5
247.07552	3.4
247.20578	1.7
250.06416	1.8
251.10776	3.1
257.19028	11.3
261.09143	30.8
262.09662	1.9
265.08728	2.8
275.07086	3.8
275.20093	87.3
276.20447	5.2
292.62659	1.9
293.11755	1.3
293.21118	20.5
293.24298	1.8
310.00278	1.7
314.71707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01873	4.5
55.05297	2.9
55.05519	29.2
56.96566	7.4
57.03442	6.5
57.07082	4.9
64.00631	2.0
65.03933	2.8
67.05510	33.6
69.03429	6.9
69.07068	29.8
70.10125	12.2
71.05005	4.9
71.08611	2.0
79.05496	43.9
80.24888	2.2
81.03419	4.9
81.07063	66.7
83.04991	14.0
83.08620	13.9
84.05325	3.5
85.02911	3.5
85.06548	5.6
85.10217	2.4
91.05477	37.4
92.05827	4.4
93.07056	29.5
94.07388	3.0
95.04971	15.5
95.08613	50.4
95.09241	2.7
97.06548	8.0
97.10188	17.3
98.97584	7.1
99.08126	3.3
101.06010	3.3
105.07033	28.6
107.04956	6.2
107.08603	100.0
108.08135	7.5
109.06534	6.9
109.10167	26.7
111.08065	4.2
115.05481	2.5
116.98650	9.1
117.07036	9.7
119.08598	16.4
120.08199	2.3
121.06505	3.7
121.10162	13.1
123.08069	3.9
123.11733	10.1
125.09653	11.9
129.07047	3.8
129.10559	2.7
129.99034	2.6
131.04901	3.9
131.08585	9.7
133.10143	19.5
134.99651	13.3
135.08061	4.4
135.11710	9.5
137.05972	19.5
137.13217	5.2
138.06342	10.1
139.11218	15.9
140.11525	12.1
141.06924	2.3
143.08635	2.4
145.10139	9.5
146.13184	2.3
147.08070	4.0
147.11731	8.3
149.09625	6.2
149.13231	6.1
151.11171	5.3
151.14833	7.7
155.08591	2.5
159.03481	2.5
159.11765	7.2
161.13269	4.7
163.11220	2.4
171.11728	2.9
173.13203	2.8
189.11206	11.1
191.08528	3.4
219.08054	3.6
231.08086	7.4
239.18053	5.5
247.07597	10.9
257.19019	9.6
275.07224	23.4
275.16956	4.2
275.20065	79.4
276.16809	32.3
276.19763	3.3
293.03329	4.9
293.15189	3.0
293.21060	8.8
293.25061	3.4
293.28452	7.5
311.04379	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.16009	3.2
53.03921	3.2
53.91198	2.8
55.01863	5.8
55.05508	20.5
57.07071	9.3
63.02988	3.2
67.05502	80.8
69.03434	3.4
69.07057	21.2
69.22947	12.3
69.23367	27.2
79.05487	36.5
81.03407	4.1
81.06576	6.2
81.07056	100.0
81.46230	2.9
83.04975	5.3
83.08615	13.4
91.05479	18.5
93.07043	31.6
95.04968	8.2
95.08607	92.5
97.06541	8.7
97.10180	10.8
105.07030	21.5
107.04915	4.9
107.08595	57.1
109.06511	9.0
109.10154	32.5
111.11644	3.0
117.07005	10.0
119.08582	14.2
121.10142	12.1
123.11669	17.6
125.09621	12.5
129.07002	4.6
131.08580	11.9
133.10133	10.0
135.08060	11.1
135.11671	10.7
137.09607	8.9
137.13242	10.0
145.10146	12.9
147.11671	11.4
149.09624	9.0
149.13243	5.0
151.11230	7.9
157.10213	3.6
159.11647	10.2
161.13223	7.2
163.11179	5.6
163.14827	5.3
165.12723	4.3
173.13272	7.2
177.12810	3.7
181.12251	4.3
187.14877	3.9
189.11212	8.3
191.14301	5.6
209.15448	3.2
237.11136	7.3
239.17972	4.0
243.21074	8.8
257.19128	8.5
261.22141	9.0
275.20071	70.5
276.88226	3.6
293.21109	25.4
293.24734	21.2
303.43008	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	1.0
55.01872	3.0
55.05262	1.1
55.05513	18.6
56.96557	1.1
57.03441	7.3
57.07067	1.3
59.04993	1.0
59.11357	0.7
65.03935	1.8
67.05170	1.2
67.05508	17.7
69.03426	1.9
69.07066	7.9
70.18522	1.8
70.18940	1.2
71.04996	3.0
79.05497	41.7
80.05835	0.8
80.39969	0.7
81.03412	1.1
81.07063	20.5
83.05004	3.8
83.08618	11.7
85.06550	4.6
87.54456	0.7
91.05486	32.8
93.07049	31.7
95.04974	5.2
95.08618	15.5
97.06524	4.0
97.10178	14.0
98.97554	1.0
99.08093	1.2
101.06004	1.2
103.05480	0.7
105.07034	37.9
107.04946	2.1
107.08598	99.9
108.08128	3.7
108.08884	1.4
109.06528	8.3
109.10159	6.8
110.67817	0.7
111.08090	2.3
113.06039	0.7
116.98621	2.0
117.07012	6.8
119.04929	1.1
119.06065	1.1
119.08588	24.3
121.06543	1.7
121.10146	8.8
123.08073	2.9
123.11718	2.2
125.09637	11.1
128.06209	0.7
129.06987	3.6
131.08580	10.1
133.10141	19.1
134.99655	2.0
135.08067	2.7
135.11684	4.9
137.06004	2.5
137.09547	1.3
138.06219	0.9
139.11192	2.2
140.11531	1.5
141.07036	1.1
143.08560	4.4
145.10127	15.0
147.07993	1.2
147.11688	15.7
147.12802	1.3
149.09637	7.3
149.13235	1.4
151.11185	1.5
153.09135	1.8
153.12759	1.9
155.08562	1.6
157.10109	4.4
159.11696	12.1
161.09688	1.3
161.13272	7.0
163.11194	3.5
169.10110	1.0
171.11644	3.4
173.11911	0.8
173.13274	4.2
175.11157	2.3
175.14828	2.0
177.12733	0.8
181.12273	1.9
183.11739	3.1
185.13280	11.1
187.45953	0.7
189.11224	11.6
191.14339	1.1
197.13263	2.4
201.12762	0.9
201.16341	2.7
203.14314	10.0
211.14767	0.9
219.17439	8.0
221.15395	14.9
229.15958	1.0
229.19550	1.9
233.15543	0.9
239.17960	6.8
247.07507	2.1
250.17976	1.8
257.19012	14.0
275.07034	2.4
275.20078	100.0
276.16766	2.5
276.20245	4.4
276.22989	0.6
293.21191	6.9
311.04312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03937	2.8
55.01880	13.3
55.05514	30.0
57.07075	4.2
63.67802	2.3
65.03932	3.2
67.05508	39.8
69.03434	2.9
69.07066	28.3
69.90981	12.6
79.05067	3.4
79.05499	49.5
81.03407	5.4
81.07059	37.3
83.04976	12.0
83.08617	10.6
91.05475	24.6
93.07043	34.3
95.04983	16.6
95.08605	25.4
97.06531	20.9
97.10155	13.4
98.21391	4.6
99.08072	2.7
104.10766	3.5
105.07036	25.9
107.04955	23.8
107.08599	46.8
109.06538	11.2
109.10162	13.1
109.71693	2.4
111.04456	2.1
111.08092	3.5
111.54009	2.0
117.06977	7.3
119.08614	14.9
121.06499	4.8
121.10132	15.2
123.08025	4.4
123.11693	6.2
125.09628	7.1
131.08594	12.7
133.10149	16.0
135.08037	12.9
135.11711	2.8
139.11113	4.1
143.08609	3.0
145.10139	11.6
147.11665	11.7
149.09627	33.0
151.11183	6.6
157.10182	2.6
159.11676	7.9
161.13211	3.3
161.69078	2.3
163.11153	4.7
163.14780	2.6
171.11652	3.7
173.11629	2.6
173.13251	3.5
177.12782	3.0
189.11227	10.4
229.19499	3.6
237.11163	7.3
237.14966	2.9
247.20531	4.6
257.19034	15.0
260.71103	3.0
275.20074	100.0
276.20435	4.3
293.21130	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.79747	1.5
55.01880	3.7
55.05514	13.5
62.53919	1.7
67.05506	22.5
69.07067	17.6
69.92394	11.5
79.05500	16.2
81.07066	24.5
83.04987	4.9
83.08614	5.4
91.05489	14.2
93.07037	16.3
95.04972	3.4
95.08609	15.1
97.06536	4.0
97.10197	3.1
105.07039	23.1
106.20130	1.7
107.04958	3.5
107.08587	16.8
109.06504	7.6
109.10141	6.2
111.08102	3.1
117.07037	3.6
119.08584	13.2
121.06518	7.8
121.10161	7.7
123.08071	4.1
129.07011	2.1
131.08577	11.6
133.06496	2.5
133.10133	12.8
135.08107	2.0
135.11656	4.0
137.09618	3.0
143.08534	3.1
145.10094	11.1
147.08064	2.7
147.11668	9.0
149.09639	5.8
149.13245	4.0
151.11136	5.7
159.11668	5.5
161.09665	2.6
161.13228	2.2
163.11177	2.3
173.13283	2.8
175.14693	2.1
177.12764	2.0
183.11670	2.2
191.14267	2.2
201.12741	2.2
207.13788	4.5
219.13791	4.9
229.19473	2.0
233.19237	1.8
239.17995	3.4
246.11235	1.8
247.20605	2.5
254.81477	1.8
257.18896	11.8
275.20071	100.0
276.20465	4.3
293.21143	31.9
294.21408	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	2.4
55.01873	9.5
55.05511	20.6
57.03426	1.2
57.07066	1.0
58.61995	1.0
59.20514	0.8
65.03970	1.5
67.05503	19.3
69.03424	1.8
69.07065	12.3
70.20016	2.5
70.20424	2.3
71.04971	1.6
79.05492	38.6
81.03412	2.9
81.07053	19.0
83.04978	4.6
83.08621	12.1
85.06560	1.7
91.05479	25.7
93.07045	16.3
95.04965	7.2
95.08622	14.3
97.06530	13.4
97.10175	15.2
98.21413	1.6
101.09659	1.1
105.07031	29.7
107.04944	4.7
107.08594	100.0
108.08917	1.5
109.06509	7.6
109.10141	5.9
111.08099	1.8
117.07019	4.9
119.06068	1.0
119.08584	13.6
121.06531	1.1
121.10133	8.0
123.04427	1.0
123.08068	2.2
123.11716	1.5
125.09628	14.4
131.08553	9.2
133.10130	16.0
135.08081	3.6
135.11711	3.5
137.09625	2.8
143.08560	1.5
145.10133	12.3
147.11688	11.1
149.09615	9.3
151.11188	1.9
153.09145	1.7
153.12775	1.1
157.10176	2.0
159.11678	5.7
161.09668	1.1
161.13278	3.7
163.11237	3.5
166.29433	1.0
169.10127	1.1
171.11707	2.6
173.13289	3.0
175.14830	1.2
177.12775	1.9
181.12288	4.0
183.11732	1.4
187.11200	1.7
187.14801	1.4
189.11203	13.4
195.13863	1.1
197.13312	1.5
223.13190	1.4
229.19522	2.7
234.88295	1.0
239.17943	5.1
247.20567	2.2
257.19003	9.7
275.20056	91.2
276.20474	2.2
289.68735	1.1
293.21100	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	2.8
53.20885	1.4
55.01875	17.1
55.05265	1.7
55.05511	23.9
57.03434	3.0
57.07079	1.8
67.05177	1.8
67.05508	24.8
69.03418	1.6
69.07067	13.9
69.79829	8.5
71.04961	2.6
79.05494	41.5
81.03407	3.5
81.07066	21.1
83.04962	4.8
83.08620	14.8
91.05491	24.0
93.07047	22.0
95.04979	16.5
95.08614	14.6
97.06534	23.3
97.10176	16.4
105.06381	2.4
105.07031	31.7
107.04964	5.6
107.08598	91.2
108.08924	1.5
109.06493	4.8
109.10159	7.9
111.08079	1.5
117.06994	5.8
119.08565	16.4
121.06519	3.0
121.10120	7.2
123.08057	3.4
123.11700	2.8
125.09634	15.6
129.06958	2.3
131.08565	11.5
133.10143	17.8
135.08063	4.9
135.11665	6.8
137.09584	2.5
139.11145	1.2
145.10124	13.1
147.11731	10.8
149.09645	14.7
151.11133	2.8
153.09146	1.5
159.11684	6.9
161.09608	2.2
161.13289	4.4
163.11180	5.1
165.09091	3.1
165.54730	1.4
171.11601	2.5
173.13353	1.6
177.12784	1.7
181.12221	2.6
183.11601	1.8
185.13179	1.6
187.11287	1.7
189.11189	15.1
197.13147	2.4
205.12029	1.5
209.11748	3.2
211.98755	1.6
219.17458	1.5
223.13293	6.3
229.19479	3.9
237.11185	4.7
239.17874	5.1
247.20596	4.0
257.19022	9.6
275.20062	100.0
276.20374	3.5
293.21140	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	3.8
55.01878	10.0
55.05271	1.6
55.05512	25.4
56.25080	1.4
56.96549	4.6
57.03435	5.0
57.07072	4.9
65.03944	2.1
67.05170	2.3
67.05502	28.6
69.03434	1.9
69.07070	20.5
71.04997	2.2
71.08620	2.3
79.05068	2.5
79.05494	46.0
81.03420	8.0
81.06657	2.0
81.07064	31.5
83.04968	4.8
83.08617	15.3
85.02911	1.7
85.06548	4.0
88.07664	1.6
91.05483	30.9
93.06476	2.2
93.07041	30.0
95.04990	13.4
95.08613	23.4
97.06527	11.9
97.10164	17.4
98.12311	1.4
98.98439	1.8
99.08076	3.4
105.06380	2.8
105.07033	34.2
107.04974	9.6
107.08595	98.5
109.06500	12.4
109.10165	10.3
111.08102	2.7
116.98628	2.0
117.07047	7.8
119.06086	1.8
119.08585	16.7
121.06534	8.2
121.10133	10.0
123.08054	4.3
123.11716	3.1
125.09644	14.8
129.06992	3.4
131.08566	13.2
133.06560	1.8
133.10132	21.4
133.16386	1.5
134.99661	2.5
135.08060	5.5
135.11714	6.9
137.09601	1.9
139.11131	2.0
143.08531	3.2
145.06490	2.2
145.10135	14.7
147.08022	2.8
147.11687	14.7
149.01210	5.2
149.09621	15.2
149.13219	1.6
151.11206	9.9
153.09105	2.7
155.03177	1.4
156.03612	2.9
157.10120	4.3
159.11679	9.9
161.09586	3.2
161.13177	7.2
163.11200	4.8
167.02292	2.4
171.11708	3.7
173.11752	1.5
173.13264	3.4
175.04494	1.4
177.09129	3.5
177.12753	5.3
181.12219	2.5
183.11679	2.8
185.13260	5.4
189.11241	12.4
191.08585	1.5
193.12323	2.0
197.13220	2.2
203.14282	2.7
212.10703	2.7
217.09282	2.2
219.08069	2.9
219.17459	5.7
219.20332	1.8
221.11136	4.0
221.15454	3.6
229.19516	3.5
229.69484	2.0
231.08017	3.2
232.61942	2.3
237.11382	1.7
239.17961	6.4
245.08707	4.5
247.07472	6.6
247.09601	3.1
247.20448	2.4
251.08595	4.6
257.19009	15.5
265.10519	1.8
275.06625	10.5
275.20078	100.0
276.20346	2.7
293.09711	32.2
293.13278	15.6
293.21112	83.3
293.27847	3.6
293.63525	2.8
294.21527	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	4.0
55.01888	6.8
55.05512	24.2
55.05778	1.8
56.96563	2.4
57.03430	3.0
57.07061	4.6
58.71658	1.3
65.03952	1.6
67.05503	31.9
69.03436	4.7
69.07063	9.3
70.19041	3.5
70.19445	3.0
71.04990	5.5
71.08630	15.7
79.05495	38.6
79.05959	2.0
79.76211	1.5
81.03416	12.2
81.07056	23.8
83.04988	6.5
83.08626	9.7
85.02901	3.8
85.06549	5.5
91.05480	36.1
93.07041	26.2
95.04974	16.8
95.08608	38.8
97.06538	5.5
97.10173	17.1
99.04474	1.4
99.08093	14.9
105.07035	30.3
106.07405	2.1
107.04951	4.7
107.08598	100.0
108.08945	2.9
109.06509	9.8
109.10161	15.4
111.04459	1.3
111.08088	3.8
113.06011	1.9
117.07050	8.7
119.08577	20.2
120.08912	3.8
121.06509	2.9
121.10155	9.4
122.86217	1.3
123.08082	4.8
123.11710	2.8
123.98058	2.1
125.09632	10.8
129.07106	1.7
131.08540	10.2
133.09207	2.5
133.10132	21.1
135.08066	5.2
135.11707	5.9
136.08379	2.2
137.09634	8.5
139.11192	4.4
141.07002	1.5
141.09123	3.2
143.08612	1.9
145.10139	12.6
146.10625	1.4
147.08102	2.3
147.11699	12.0
149.09650	6.2
151.11186	64.4
155.10686	10.3
157.10199	2.2
159.11746	8.8
161.09641	6.1
161.13300	3.3
163.11223	2.9
165.12791	5.2
169.10147	2.2
171.11755	2.2
173.11813	1.6
173.13261	2.5
177.12781	12.3
179.10678	2.5
181.12129	2.1
189.11234	13.0
191.14320	3.1
195.13805	1.6
197.13202	1.4
229.19531	3.8
234.83464	1.5
239.17993	4.0
247.20557	4.6
249.91864	1.5
257.19095	11.7
275.07193	1.6
275.20074	97.5
276.20398	2.9
279.03879	1.8
292.62820	4.1
293.21103	72.4
294.21521	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	1.6
55.01864	3.8
55.05265	1.1
55.05513	17.3
57.03430	1.3
64.88120	1.0
65.03918	2.1
67.05506	15.4
69.03416	1.3
69.07068	6.7
71.03646	2.8
71.03993	1.1
71.04986	1.9
74.82518	0.9
79.05495	35.2
81.03394	1.5
81.07059	15.2
83.04968	3.7
83.08618	11.2
85.06528	1.6
91.05482	22.7
93.07049	15.3
95.04964	4.3
95.08601	10.2
97.06518	4.7
97.10175	16.3
105.07033	30.3
107.04945	2.9
107.08597	100.0
108.08857	1.5
109.06487	6.6
109.10147	5.1
111.08079	2.2
117.07008	4.5
119.08572	13.1
121.06471	1.3
121.10151	5.8
123.08077	1.6
123.11687	1.5
125.09636	11.6
129.06982	1.7
131.08546	7.3
133.10143	15.9
135.08058	3.4
135.11674	4.0
137.09656	1.4
143.08588	1.3
145.10115	11.0
147.11696	9.9
149.09615	5.4
151.11160	1.7
153.09096	1.4
157.10159	3.0
159.11687	5.8
161.09586	1.8
161.13269	3.5
163.11182	2.8
169.10161	1.3
171.11649	2.3
173.13260	1.9
175.11237	1.3
181.12183	3.1
183.11676	1.2
185.13327	2.0
189.11223	13.4
197.13405	1.3
203.14384	2.4
208.35033	0.9
219.17400	2.5
221.15326	2.9
229.19408	1.7
239.17999	5.8
247.07628	1.7
247.20659	1.2
257.19043	14.0
275.20068	89.3
276.20413	3.0
293.21085	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	1.3
55.01881	3.7
55.05263	1.2
55.05513	16.3
56.96566	1.6
57.03437	5.4
57.07072	1.4
59.05000	1.4
65.03935	1.4
67.05506	18.7
69.03426	1.9
69.07078	9.0
70.49891	2.4
71.04986	1.3
79.05494	36.6
81.03442	1.3
81.07063	18.9
83.04992	3.0
83.08617	11.6
85.02920	0.9
85.06555	2.6
85.66573	0.7
91.05482	30.9
93.07044	26.6
93.07632	1.5
95.04979	5.8
95.08051	1.1
95.08614	12.7
97.06535	4.4
97.10177	13.5
98.97568	0.7
99.08109	0.9
105.07034	35.6
107.04949	2.2
107.08597	94.0
108.08931	1.6
109.06521	7.1
109.10165	5.4
111.08081	1.9
113.06007	0.7
116.98589	0.9
117.07029	6.8
119.06094	1.0
119.07860	0.5
119.08585	19.5
121.06503	2.1
121.10157	8.3
123.08070	2.9
123.11727	1.6
125.09624	8.7
129.06998	4.1
131.08569	9.5
133.10133	20.1
135.08067	1.5
135.11713	3.4
137.09650	1.6
139.11232	0.8
143.08557	4.2
143.10693	0.8
145.10127	12.9
147.11682	13.9
149.01237	2.3
149.09631	6.5
151.11188	2.2
153.09087	0.9
153.12766	1.0
155.08548	4.4
156.22957	0.8
157.10152	3.2
159.11697	10.0
161.09656	1.0
161.13243	5.1
163.11198	3.3
169.10143	1.5
171.10291	0.9
171.11700	2.1
173.11960	1.1
173.13245	4.3
175.11212	1.6
175.14810	1.1
177.12752	0.8
181.12256	2.3
183.11716	2.8
185.13283	9.5
189.11246	13.0
191.14305	1.3
197.13245	1.8
201.12822	0.9
201.16403	2.7
203.14328	7.4
211.14928	1.2
219.13896	1.1
219.17419	5.9
221.15369	12.1
224.08083	3.9
224.58275	0.8
229.19496	2.1
231.08040	1.1
237.09048	1.1
239.17969	7.2
244.09651	1.1
247.07498	3.4
247.20540	0.9
252.09384	1.6
257.19000	12.6
275.07022	3.7
275.20068	100.0
276.20367	3.6
293.12769	1.2
293.15710	1.3
293.21085	9.8
293.63455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82943	1.0
53.03957	1.7
55.05512	17.8
55.75208	1.2
57.03438	11.7
57.07069	4.0
58.99583	4.3
59.48355	1.0
67.05509	28.4
69.07065	4.1
69.28268	6.0
69.28699	7.2
71.04985	4.0
71.08629	12.3
73.46245	1.0
79.05489	4.2
81.03411	2.2
81.07059	8.9
83.04984	2.9
83.08624	4.0
85.02909	1.4
85.06541	2.6
86.09695	2.1
86.99046	6.4
91.05497	3.7
93.07052	3.6
95.04980	3.1
95.08625	5.3
98.98426	1.5
99.08102	9.4
100.94783	1.2
103.05460	3.3
104.31416	1.1
105.00085	16.2
105.07048	3.5
107.08601	4.6
109.02840	2.0
109.06506	1.2
109.10164	14.7
115.05442	1.7
117.06997	2.2
119.08606	3.1
121.10115	2.3
123.11777	1.7
125.00001	1.6
125.09553	1.1
127.03905	1.3
127.11192	100.0
128.11534	2.0
131.04907	8.5
133.06456	1.2
137.05997	4.1
147.11708	2.0
159.04750	4.6
166.15927	1.9
171.23784	1.2
175.07527	1.3
184.07356	4.7
185.09901	1.6
201.05452	1.4
217.37485	1.2
218.00171	1.2
230.34113	1.3
245.05977	1.4
247.06422	7.2
275.05911	5.7
275.20071	3.1
293.07083	9.7
293.19333	2.6
293.24863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	5.5
55.01867	10.0
55.05516	25.9
57.03440	3.6
57.07086	6.3
59.04981	2.3
65.03911	2.7
67.05508	39.5
69.03415	6.3
69.07066	16.7
71.04990	12.9
71.59427	3.6
75.04470	3.3
77.03928	2.8
79.05492	29.8
81.03407	5.4
81.07060	68.4
83.04986	15.5
83.08624	11.8
85.02916	27.9
85.06543	3.6
86.63690	2.1
91.05480	29.0
93.07054	29.8
95.04957	16.4
95.08609	50.2
97.06544	17.8
97.10183	11.0
98.98448	3.3
99.04449	2.3
103.24743	2.3
105.07038	28.7
107.04931	7.3
107.08596	45.0
109.02830	2.7
109.06535	15.4
109.10166	24.2
111.04442	9.1
111.08080	4.3
113.05965	3.0
113.09715	2.4
117.07002	10.9
119.08590	20.3
121.06506	6.4
121.10145	17.6
123.08063	5.7
123.11700	13.7
125.09617	7.6
125.82654	2.6
128.06186	3.0
129.05486	9.8
131.04939	6.7
131.08575	11.2
133.10139	23.0
135.08072	5.3
135.11679	8.5
137.05997	4.8
137.09560	5.7
137.13261	12.2
139.11147	3.1
143.08589	4.1
145.10083	13.6
147.06520	4.0
147.11708	13.8
149.09619	10.1
149.13290	6.4
151.11214	7.3
153.05559	4.5
157.10165	4.9
159.11732	11.7
161.13228	5.0
163.11165	10.8
163.14931	2.9
165.09091	2.3
165.12810	4.0
171.11655	3.5
173.09654	3.0
173.13309	4.3
177.16338	2.4
179.00925	2.6
181.06488	3.1
187.11221	3.2
189.11197	2.8
189.49478	2.6
190.07822	5.1
191.08575	13.3
195.07970	3.3
202.07819	7.8
203.08540	9.9
205.06537	2.7
218.07220	5.4
219.08183	14.4
221.09650	8.6
223.07545	5.9
229.07507	6.4
229.19334	4.9
231.08043	24.8
237.09106	5.2
239.17932	5.5
247.07541	100.0
247.20512	6.2
248.07936	7.9
257.18893	10.8
265.05106	3.1
265.08627	12.3
275.07028	99.3
275.16916	4.5
275.20062	92.3
275.23135	4.5
276.07355	8.3
276.16995	2.6
276.20316	5.1
293.04285	4.4
293.07153	3.1
293.18066	3.7
293.21106	28.8
293.24756	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0807
Annotation	(Z,E,E,E,E)-14-(5-Oxo-2(5H)-furanylidene)-2,8,10,12-tetradecatetraene-4,6-diynoic acid
Peak:m/z	Relative Intensity
55.01868	0.8
55.05504	0.5
56.96565	0.3
67.05506	0.6
69.07074	0.4
70.72366	0.4
70.72737	0.4
71.04991	0.3
75.12717	0.2
79.05486	0.5
81.03416	0.3
81.07057	1.2
83.04999	0.3
85.02895	0.7
91.05478	0.8
93.07038	0.6
95.04944	0.4
95.08598	1.0
97.06551	0.5
103.05478	0.3
105.07027	0.6
107.04959	0.4
107.08582	1.0
109.02840	0.3
109.06549	0.3
109.10120	0.5
111.08101	0.2
119.08546	0.5
120.08127	0.2
121.10136	0.4
123.11703	0.3
125.09615	0.3
131.04922	0.3
131.08519	0.3
133.10135	0.5
135.11697	0.3
137.05882	0.2
137.13371	0.2
143.08539	0.2
145.10078	0.4
147.11690	0.3
155.04866	0.3
159.11685	0.3
163.11156	0.2
164.09430	0.2
165.06953	0.3
177.06990	0.4
189.05515	0.3
189.07031	0.8
190.07767	2.3
191.08553	7.5
192.08858	0.3
201.06966	1.0
202.07765	3.9
203.05020	0.3
203.08537	3.7
205.06438	1.5
218.07278	3.4
219.08052	8.4
221.06163	0.3
221.09592	0.7
223.07471	0.4
229.06558	0.7
229.07608	0.7
231.08047	23.4
232.08444	0.7
233.06047	1.7
237.09029	0.3
245.06013	0.6
246.06725	0.7
247.07536	14.7
248.07918	0.5
249.05502	0.5
249.09061	0.7
257.05960	2.8
258.06458	0.3
260.04663	0.4
273.05569	0.3
275.07013	100.0
275.20108	0.8
276.07352	3.4
293.07806	0.3
293.18439	0.5
293.65689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.44539	5.5
53.03939	8.7
55.05504	23.7
67.05507	37.3
69.07070	24.3
71.59668	6.9
79.05495	81.5
81.07050	67.3
83.08614	12.3
91.05480	42.7
93.07040	100.0
95.04987	9.4
95.08601	34.4
97.06547	10.6
97.10196	8.9
105.07035	24.2
107.04951	19.9
107.08609	69.9
109.06492	8.0
109.10149	15.3
117.06988	8.3
119.08604	27.8
121.10134	52.1
123.08037	6.4
131.08501	11.4
133.10118	17.7
135.08109	8.2
135.11668	56.1
147.11691	9.3
149.09612	19.7
149.13278	30.2
157.10083	7.7
159.11685	14.9
161.13307	8.8
163.14894	8.4
171.11655	7.6
185.13225	7.4
189.12782	7.6
203.10646	7.8
227.23372	6.8
241.19531	10.3
245.06029	22.6
259.20547	13.6
273.05688	9.1
273.18460	15.1
291.06567	19.4
291.09406	10.0
291.19601	43.3
291.23230	85.3
296.91602	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	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50432	5.6
69.50857	12.9
98.20862	5.1
161.03009	4.4
173.02968	2.8
204.73454	2.9
293.06332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0808
Annotation	(Z,E,E,E,E)-14-(5-Oxo-2(5H)-furanylidene)-2,8,10,12-tetradecatetraene-4,6-diynoic acid
Peak:m/z	Relative Intensity
55.01859	0.8
55.05500	0.9
56.96532	1.0
57.03394	0.7
57.45847	0.6
58.98077	0.5
65.12606	0.6
67.05498	1.6
69.07076	0.9
69.36900	4.0
69.37325	1.7
70.62177	0.5
79.05464	2.2
81.07041	1.6
83.08607	0.8
91.05470	1.3
93.07027	1.1
95.08610	1.1
95.62066	0.5
98.97573	1.7
105.07012	1.3
107.08574	2.5
121.10138	1.2
128.06180	2.5
133.10129	0.8
149.01245	1.5
156.03604	1.5
165.07112	0.8
167.02290	0.9
177.00810	0.7
177.07024	0.7
177.35039	0.6
178.07813	1.0
181.06488	1.5
187.59720	0.6
189.06978	1.4
190.07771	4.3
191.08566	11.3
193.10132	0.7
195.08052	1.4
201.07004	1.5
202.07767	9.7
203.08557	9.8
204.08899	0.6
205.06520	3.7
218.07288	6.0
219.08057	16.4
221.09619	8.0
221.35045	0.7
223.07553	5.2
224.07951	1.2
229.06410	1.5
231.08047	23.9
233.06033	1.6
237.09039	5.8
245.06082	1.0
247.07552	100.0
247.91302	0.7
248.07811	3.5
257.05927	3.3
260.04547	0.7
264.11209	1.6
264.61417	0.9
265.08643	9.1
275.07028	99.9
275.20047	2.9
276.07346	4.2
293.13275	1.4
293.21045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03939	2.4
54.69571	1.2
55.01876	2.6
55.05512	17.0
57.07056	3.2
65.03946	1.3
67.05170	1.9
67.05505	26.7
69.07070	15.5
71.04995	1.7
71.08631	2.5
71.19442	2.3
71.35375	1.2
73.06522	1.3
79.05495	43.5
81.07060	39.2
83.04974	2.6
83.08627	7.9
85.06541	3.2
91.05481	19.7
93.07048	71.9
95.04977	8.2
95.08610	31.6
97.06539	3.4
97.10160	4.6
99.08051	1.7
105.07037	15.3
107.04967	4.2
107.08595	44.1
109.06512	19.1
109.10152	12.6
111.08070	1.3
117.07021	3.3
119.08579	15.9
121.06526	2.5
121.10148	41.0
123.08053	3.2
123.11711	3.3
125.09678	2.0
129.07011	2.6
131.08566	4.2
133.10135	11.1
135.08054	2.4
135.11693	38.8
139.11221	1.4
143.08545	2.7
145.10147	6.3
147.11656	7.4
149.09613	4.7
149.13258	28.5
151.11165	1.4
155.75665	1.2
157.10139	1.8
159.11714	4.4
161.09669	1.8
161.13255	6.5
163.11182	3.1
163.14841	7.9
165.12752	11.7
168.54231	1.3
171.11653	3.0
173.13283	3.0
175.11169	2.0
175.14818	4.4
177.12706	2.6
179.14305	2.1
185.13246	2.6
189.12772	2.9
199.14893	2.6
203.14232	2.1
209.15387	1.4
213.16371	1.5
217.19560	1.3
221.15378	1.7
235.16884	6.1
241.19568	5.2
245.05957	2.0
249.18457	3.7
259.20566	8.4
273.18683	1.1
291.06448	3.1
291.09311	1.2
291.19687	8.0
291.23172	100.0
292.23434	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	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03944	3.0
53.15546	0.6
55.01865	2.0
55.05257	1.3
55.05513	15.8
57.07066	1.9
59.04984	0.8
60.60992	0.6
65.03935	1.9
67.05507	34.4
69.03431	0.8
69.06724	1.1
69.07072	15.3
69.95495	3.5
73.06554	1.2
77.03891	0.6
78.56248	0.7
79.05496	68.3
81.07063	41.2
83.04980	1.2
83.08624	7.5
83.42909	0.7
85.06541	3.7
91.05485	27.2
93.07048	100.0
94.07358	1.5
95.04976	6.2
95.08611	30.0
97.06532	2.0
97.10160	4.2
105.04543	1.4
105.07034	17.1
107.08599	53.0
109.06516	2.7
109.10161	14.4
111.08097	1.2
111.15246	0.8
115.07618	0.8
117.07002	3.9
119.08587	14.4
121.06508	0.7
121.10148	50.2
123.08092	2.2
123.11712	3.5
125.09610	1.7
129.07001	2.8
131.08588	5.6
133.10143	15.0
135.08102	1.6
135.11697	49.5
136.12033	1.4
137.09602	1.7
139.11162	1.3
141.09070	1.0
143.08574	2.0
145.10117	5.4
147.11702	10.7
149.09604	2.7
149.13266	28.8
151.11188	1.1
157.10150	2.7
159.11734	4.7
161.09630	0.7
161.13274	7.5
163.11182	3.2
163.14845	9.8
167.10760	0.7
171.11667	2.8
173.13240	3.5
175.11229	1.4
175.14848	5.4
177.12766	2.6
177.16394	1.1
182.79488	0.7
185.13307	3.6
189.12709	1.6
191.14401	0.8
192.96034	0.8
199.14780	1.7
203.14499	1.5
203.73495	0.7
209.15341	1.9
213.16309	2.1
215.17865	1.0
217.16016	0.8
217.19569	2.1
221.15327	1.2
231.17384	1.8
231.21051	1.4
235.16959	2.0
241.19489	5.5
249.18555	1.7
259.20627	8.7
291.23190	70.4
292.23572	2.7
295.03732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.02076	3.1
53.03944	6.5
53.74092	2.8
55.01876	10.1
55.05519	24.9
57.07072	3.4
64.36297	3.0
67.05505	50.1
69.03418	3.7
69.07079	23.3
69.73215	19.9
71.04984	6.5
71.08605	3.2
79.05493	76.1
81.03420	3.6
81.07059	64.3
83.04976	8.1
83.08624	14.2
85.06540	6.0
91.05484	39.7
91.06028	5.0
93.07047	100.0
94.18468	2.9
95.04976	14.4
95.08617	36.4
97.06546	6.3
97.10154	7.4
98.21455	6.1
105.07032	24.8
107.04967	27.0
107.08597	52.6
109.06530	5.7
109.10162	15.7
111.08118	3.2
116.71075	2.9
117.07045	9.4
119.08585	23.3
121.06501	3.4
121.10143	59.1
123.08058	4.9
123.11713	5.3
129.06979	5.4
131.08591	14.8
131.30165	3.4
133.09218	3.4
133.10129	16.4
135.08057	8.5
135.11681	52.8
143.08534	6.3
145.10121	14.0
147.08095	8.2
147.11682	15.8
149.09630	15.6
149.13249	29.5
151.07571	6.5
157.10150	4.6
159.11758	7.9
161.09627	3.0
161.13252	11.0
163.11095	4.4
163.14844	9.0
171.11761	5.6
173.13217	4.5
177.12776	3.2
185.13339	3.9
189.12807	4.7
190.58029	3.2
192.03891	3.1
207.13901	4.0
216.52843	3.0
237.84346	2.9
241.19478	7.5
245.06116	8.0
245.19101	3.6
246.18674	3.6
249.18538	4.0
259.20615	7.9
273.05389	3.2
273.18448	10.8
291.06543	9.5
291.09476	5.9
291.19583	78.6
291.23190	90.2
292.19785	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	291.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01875	12.4
55.05513	9.5
57.03423	2.4
57.07059	1.3
61.01056	0.5
65.01463	0.5
65.03908	0.8
67.05503	19.2
69.03423	2.2
69.07066	18.6
70.21957	1.3
70.22345	1.0
71.04984	3.8
73.78348	0.5
74.06054	0.5
75.68281	0.6
78.48388	0.6
79.05492	18.0
81.03419	14.3
81.07058	15.8
83.04977	11.7
83.08611	2.5
85.02894	1.3
85.06525	1.5
88.07610	0.9
91.05484	16.1
93.07043	18.9
95.04966	9.5
95.08607	18.3
97.02890	0.9
97.06535	12.1
97.10141	2.2
99.04457	4.1
99.08075	0.9
99.83074	0.6
105.07027	11.3
107.04952	57.9
107.08589	11.1
109.06509	7.7
109.10163	5.3
111.04440	22.1
111.08044	1.3
115.05452	1.5
117.07030	5.7
119.04911	1.5
119.08572	12.3
121.06488	8.2
121.10139	5.9
123.08066	6.9
123.11715	1.1
125.09620	2.6
127.07501	0.7
128.06204	1.2
129.07024	4.7
130.07777	0.7
131.08560	9.6
133.06479	4.2
133.10115	7.0
135.08060	10.6
135.11708	1.7
137.05914	0.7
137.09618	6.0
139.07529	1.2
141.06999	0.8
142.07765	0.8
143.08565	4.0
145.06461	0.9
145.10118	6.1
147.08020	4.7
147.11653	2.8
149.09621	32.5
149.13239	0.8
149.17375	0.6
151.11179	1.5
153.09117	7.0
155.10626	0.7
157.10149	4.6
159.08037	1.3
159.11734	2.9
161.09610	6.2
161.13261	1.0
163.11156	5.2
165.09193	0.6
165.12666	0.7
167.10666	0.9
169.10138	0.6
171.11758	3.0
173.09694	0.9
173.11758	0.8
173.13246	1.0
175.11143	6.0
177.12721	2.9
179.10674	1.0
181.10112	0.8
185.09688	0.6
185.13200	1.0
187.11287	1.4
189.11147	0.8
189.12769	2.6
193.12169	3.1
195.11530	0.8
199.11298	1.0
199.14868	0.7
203.10719	1.1
203.14340	0.6
205.12274	0.8
213.12723	0.6
213.16272	0.9
217.12202	0.8
217.15898	1.6
221.11723	3.2
223.13416	1.0
227.18036	1.3
229.23563	1.3
235.13315	3.4
237.16409	0.7
245.05974	2.9
245.19041	3.5
249.14795	1.5
249.18491	1.1
255.17453	3.2
263.19989	1.7
273.05573	1.0
273.18491	19.1
291.06647	3.4
291.19540	100.0
291.26697	6.1
292.19901	2.1
300.38556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.03590	1.0
53.03948	2.6
54.12747	1.1
55.01876	8.0
55.05262	1.4
55.05515	18.9
57.03426	1.1
57.07054	1.1
64.75357	1.1
67.05509	17.9
69.03426	3.6
69.07071	9.3
69.87656	6.1
71.04990	1.2
79.05496	37.4
81.03429	3.5
81.07062	40.9
83.04978	5.5
83.08620	7.8
85.06517	1.9
91.05484	22.2
93.07045	24.5
95.04971	17.0
95.08604	15.0
97.06496	1.8
97.10163	8.1
98.20757	1.2
103.05486	1.3
105.03414	2.2
105.04534	1.3
105.07030	17.3
107.04952	20.4
107.08612	12.2
109.06532	5.6
109.10142	3.7
111.08067	2.8
115.05459	1.7
117.07035	14.3
119.04948	3.6
119.08589	30.4
121.06514	15.3
121.10152	10.0
123.04417	1.3
123.08082	3.1
123.64024	1.2
125.09637	8.4
128.06219	2.6
129.07014	6.6
130.07761	1.5
131.08582	11.8
133.06519	6.4
133.10139	8.3
135.08064	9.7
135.11685	5.8
137.09590	2.2
143.08568	7.0
145.10129	16.5
147.08049	18.8
147.11697	3.0
149.09644	14.6
149.13266	2.7
151.11261	1.8
157.10184	6.7
159.08124	2.7
159.11687	5.2
161.09654	6.9
163.11221	5.3
171.11713	4.0
173.13263	1.9
175.11194	2.6
181.66745	1.1
185.09616	1.9
185.13254	3.7
187.11180	1.2
189.11273	5.9
189.12764	1.6
195.11693	2.1
203.14444	1.3
213.12746	1.2
223.13315	4.2
227.17967	2.4
231.13989	1.6
237.16547	1.3
245.06064	1.3
245.19086	2.6
249.14908	7.0
255.17485	4.5
273.18497	31.5
291.06595	2.6
291.19571	100.0
291.22922	6.2
292.19846	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02404	0.9
53.03937	3.2
55.01873	17.5
55.05267	1.2
55.05510	12.6
57.03436	13.6
57.07066	0.8
59.04998	1.1
65.03924	2.4
67.05506	22.6
69.03410	3.8
69.07065	13.4
69.64553	5.4
70.33469	0.8
71.04979	3.0
79.05493	38.7
79.77211	0.8
79.84972	0.8
81.03420	11.6
81.07054	28.5
83.04976	5.3
83.08622	5.0
85.02929	0.9
85.06535	4.0
90.20750	0.8
91.05478	29.0
91.22767	1.0
93.06478	1.5
93.07041	22.8
95.04967	10.7
95.08609	17.2
97.06522	4.2
97.10159	3.1
98.20737	1.0
99.04488	1.3
103.05462	1.4
104.10725	1.9
105.07035	20.3
107.04955	42.5
107.08592	22.4
109.06517	44.4
109.10109	4.4
111.08085	2.3
113.06059	1.2
115.05437	2.8
116.06236	1.9
117.07020	13.6
119.04930	1.1
119.06133	0.8
119.08587	16.3
120.05761	0.8
121.06496	7.5
121.09439	1.0
121.10160	8.3
123.08060	3.4
125.05988	0.8
125.09609	1.8
128.06198	2.1
129.06999	8.9
130.07713	1.2
130.54068	1.0
131.08560	16.6
133.06453	5.4
133.10133	5.9
135.08049	71.8
135.11639	5.4
137.09590	2.5
142.07748	0.9
143.08568	6.3
145.06541	0.8
145.10123	11.7
147.08038	6.7
147.11668	2.9
149.09622	27.0
149.13281	2.1
151.07506	1.7
151.11163	0.9
157.10126	6.8
158.55421	1.2
159.08109	2.3
159.11699	5.7
160.99364	0.8
161.09628	10.3
161.13275	1.0
163.11180	5.5
165.09146	0.9
169.10191	1.8
171.11763	4.7
173.09697	1.2
173.13280	1.6
175.11136	5.6
177.12759	2.2
181.10127	1.0
183.11642	1.1
185.09660	1.1
185.13278	1.2
187.11151	1.5
189.11171	1.3
189.12830	2.5
189.16493	1.0
195.11790	1.4
195.13754	1.3
199.11182	1.4
199.14780	2.5
201.12730	1.9
203.14296	0.9
205.12299	0.9
207.13867	1.0
213.12810	1.4
215.08469	1.9
217.15860	13.0
219.13867	1.6
223.13162	0.9
227.17979	2.4
231.13704	1.0
235.13274	2.2
237.16327	2.0
244.07721	0.8
245.18997	3.3
247.11362	1.0
249.09009	1.0
249.14888	2.8
255.17487	4.0
263.20245	1.4
273.09076	3.6
273.18500	30.8
275.07190	0.9
284.21567	0.9
287.79794	0.9
291.06659	1.8
291.10083	2.3
291.19540	100.0
292.19763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	2.3
55.01873	5.5
55.05265	0.7
55.05511	8.5
57.03425	1.3
59.29619	0.6
62.42511	0.5
65.03927	0.5
67.05506	15.2
68.05171	0.6
69.03423	2.0
69.07069	14.3
70.20068	2.9
70.49264	0.5
71.04995	2.7
79.05495	23.0
81.03416	14.3
81.07055	11.9
83.04974	4.7
83.08616	2.8
85.06552	1.5
91.05482	15.1
92.06211	0.6
92.87547	0.6
93.07041	14.1
95.04959	7.4
95.08048	1.0
95.08611	11.5
97.06541	4.9
97.10187	2.9
105.03391	0.6
105.07032	12.6
107.04955	100.0
107.08588	9.3
108.05276	0.6
109.06512	3.1
109.10152	7.4
111.08060	1.1
115.05448	1.5
116.06249	0.8
117.07008	7.7
119.04910	0.9
119.08580	17.1
121.06506	5.4
121.10145	4.7
123.04437	0.5
123.08057	2.1
125.09621	2.0
128.06242	0.7
129.07005	4.3
131.08568	9.0
133.06499	4.4
133.07393	0.7
133.10130	4.5
135.08052	24.6
135.11685	1.6
137.09610	7.7
141.06886	0.6
142.07788	1.1
143.08537	3.7
145.06500	0.9
145.10124	7.3
147.08054	7.7
147.11664	1.7
148.08876	0.7
149.09622	35.9
149.13333	0.7
151.07439	0.6
153.09219	0.9
155.08537	0.7
155.10663	2.0
157.10107	3.8
159.08076	1.0
159.11726	3.5
161.09622	5.1
161.13103	0.5
163.11188	3.4
165.09137	2.3
169.10139	0.9
171.11687	2.6
173.09647	0.6
173.10333	0.8
173.11763	6.4
173.13216	1.0
175.11154	4.3
177.09062	1.1
177.12743	1.1
181.10139	0.9
183.10214	0.6
185.09656	0.7
185.13274	1.7
187.11121	1.1
189.11256	1.1
189.12740	1.2
195.11710	0.6
199.11140	0.7
202.83325	0.6
203.10660	1.0
203.14377	0.6
205.12172	0.9
213.12729	0.7
221.11797	0.5
227.17944	1.1
235.13286	3.1
237.16364	1.0
245.18977	1.9
249.14909	1.5
255.17447	2.3
267.21524	0.6
273.15494	0.6
273.18491	18.5
291.19550	86.6
292.19919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02394	0.8
52.48978	0.6
53.03943	2.1
53.04185	0.6
55.01621	0.9
55.01876	11.4
55.05516	14.2
56.05040	5.9
57.03442	3.8
57.05363	1.0
57.07080	4.5
58.06615	3.9
58.06864	0.7
58.07410	1.2
58.30104	0.6
59.04987	1.8
59.06923	0.8
60.04523	1.1
65.03946	1.6
67.05132	0.6
67.05508	22.2
69.03427	3.8
69.07072	27.3
71.04993	5.3
71.08631	1.7
71.56038	0.6
72.08957	0.5
74.06085	7.3
75.06429	1.3
77.03898	0.7
79.05502	18.4
81.03423	21.4
81.07063	18.0
83.04481	0.8
83.04983	15.8
83.08623	4.4
85.02904	2.6
85.06544	1.7
85.10190	1.0
86.06074	1.2
88.07641	21.6
89.07428	1.1
89.07947	6.2
91.04897	1.1
91.05483	26.7
93.07050	38.6
95.04976	8.2
95.08613	38.5
95.09240	1.2
97.02908	5.1
97.06532	8.5
97.10156	1.7
99.04460	13.2
99.08099	1.0
101.06033	0.8
103.05489	0.9
105.03374	0.8
105.04552	0.6
105.07035	19.5
107.04964	75.8
107.08599	16.3
109.06528	6.6
109.10167	8.2
111.04455	22.5
111.08087	3.1
115.05466	1.6
117.07018	8.5
118.08656	3.7
119.04950	0.8
119.08574	16.0
121.06536	6.7
121.10136	5.7
122.08149	2.9
123.04435	2.2
123.08060	9.6
125.06033	0.9
125.09627	4.2
129.07021	5.2
130.07832	1.1
131.08580	11.5
133.06506	2.8
133.10141	11.6
135.07100	1.0
135.08072	14.0
135.11699	2.6
137.09630	13.2
139.07564	1.7
142.07773	1.5
143.08571	3.1
145.06502	0.8
145.10132	10.1
147.08063	3.8
147.11681	7.0
149.05977	0.8
149.09631	37.0
149.13245	0.9
151.07544	1.0
151.11156	2.1
153.09137	6.7
155.10701	1.2
157.10146	6.3
159.08096	1.5
159.11702	4.1
161.09627	6.9
161.13272	1.2
163.11238	3.6
165.09125	1.9
165.12788	8.4
167.10837	0.6
169.10214	1.1
171.11613	3.3
173.09630	0.7
173.13326	1.1
175.11192	9.9
177.09164	5.3
177.12784	2.6
179.10666	3.9
181.10100	0.9
181.12296	0.7
183.11768	0.7
185.09648	1.4
185.13297	1.9
187.11172	2.1
189.09265	0.9
189.12776	1.4
193.12256	25.4
195.11679	0.9
199.11195	1.4
199.14799	0.7
203.10654	1.4
205.12300	1.0
207.14023	0.7
211.13354	1.8
213.16414	0.7
217.12314	1.2
217.15846	1.0
221.11748	20.4
227.17918	4.4
234.14998	0.7
235.13318	4.3
237.16379	0.8
242.24838	1.5
243.25148	29.8
245.05991	4.8
245.19037	4.1
249.14926	1.6
249.18443	3.2
255.17505	2.7
263.20041	1.3
273.05457	2.1
273.08722	0.9
273.18481	16.7
273.26123	1.8
291.06479	3.8
291.09381	2.1
291.19577	100.0
291.27219	77.6
292.19928	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	3.8
55.01866	7.0
55.05516	26.0
56.14539	2.2
56.96545	2.5
57.03437	100.0
57.07074	2.5
59.04975	3.5
61.39555	2.0
64.74490	2.0
65.03927	7.6
67.05505	80.0
68.44803	1.8
69.03437	5.2
69.07063	22.5
69.21005	2.0
71.04997	5.9
71.32359	4.5
73.25961	2.2
77.03912	2.4
79.05492	46.6
81.03410	5.3
81.07055	45.9
83.04987	9.7
83.08604	13.7
83.14806	2.8
85.06541	30.1
90.82005	1.9
91.05479	91.8
93.07045	47.0
95.04976	11.9
95.08605	28.1
97.06520	8.7
97.10152	3.3
103.05482	5.9
105.07037	51.2
107.04963	32.1
107.08595	22.2
109.06520	40.8
109.10155	7.8
111.08078	4.2
113.06052	3.5
115.05455	7.7
117.07020	45.3
119.08591	31.0
121.06496	8.6
121.10136	15.1
123.08047	6.7
125.05949	2.8
128.06197	3.9
129.07016	24.2
131.08563	44.2
133.06493	6.1
133.10139	17.3
135.08063	28.5
135.11671	8.0
137.09631	7.7
139.11188	2.4
141.07007	4.3
142.07773	4.6
143.08571	16.6
145.06465	5.6
145.10130	44.6
147.08043	30.8
147.11670	7.0
149.01268	2.4
149.09599	14.8
149.13255	4.3
151.07446	5.6
155.08517	5.6
157.10118	26.9
159.11754	14.1
161.09648	16.2
169.10100	4.5
171.11658	11.1
173.09665	3.6
173.13254	9.7
175.11206	11.2
176.40727	2.2
181.10170	3.5
183.11681	9.6
185.13315	4.9
189.12756	5.4
189.16309	3.4
195.11661	3.8
197.13213	4.9
199.11186	3.5
199.14835	15.4
201.12704	10.6
207.13766	3.8
217.15878	63.2
219.13788	8.0
227.17932	2.6
233.15276	5.6
235.23486	2.6
237.16374	6.3
245.06010	6.4
245.19060	6.5
251.08652	3.6
255.17270	11.0
263.20316	3.3
273.05316	4.5
273.18509	75.1
291.06451	7.8
291.09546	3.1
291.19562	60.2
291.22842	5.1
292.12189	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	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03938	2.6
55.01875	9.1
55.05515	20.1
57.03444	7.3
59.04989	1.2
61.99683	0.8
65.03919	1.3
67.05508	22.3
69.03442	3.5
69.07068	7.2
71.04974	1.8
71.10703	1.7
77.03908	1.1
79.05498	37.8
79.05963	1.9
81.03416	2.4
81.07060	40.9
83.04964	2.6
83.08633	9.5
85.06533	2.7
91.05486	27.4
93.06473	1.4
93.07050	23.2
95.04976	13.7
95.08610	12.1
97.06539	2.2
97.10175	12.7
99.08078	1.2
103.05437	2.0
105.03396	1.8
105.07036	19.2
107.04965	11.2
107.08600	15.2
108.05706	0.7
109.06516	8.8
109.10169	4.2
111.08080	2.5
115.05453	3.3
116.06210	1.2
117.06211	1.5
117.07024	24.4
119.04910	3.0
119.08588	42.4
121.06512	15.9
121.10150	6.8
123.08088	3.9
125.09650	8.8
128.06219	2.1
129.07016	10.0
130.07809	1.4
130.12158	0.7
131.08572	17.1
132.05705	1.1
133.06505	6.1
133.10124	5.4
135.04366	0.8
135.08063	13.8
135.11681	2.0
137.09564	1.3
141.06955	1.0
142.07796	1.4
143.08580	8.6
143.10759	1.0
144.09396	0.8
145.06525	1.0
145.10133	19.5
147.08055	24.6
147.11707	2.8
149.09660	5.6
151.07648	0.9
153.09090	0.9
155.08517	1.2
157.06555	1.4
157.10132	8.7
159.08086	3.2
159.11726	6.9
161.09634	9.5
163.11200	3.9
167.08632	1.0
169.10172	1.4
171.11714	5.5
173.09659	1.7
173.13324	1.8
175.11188	2.4
177.12762	1.0
178.09248	0.7
181.10051	0.7
185.09630	1.4
185.13266	3.1
187.11191	0.9
189.11253	7.7
189.12733	1.4
194.10823	0.8
195.11678	1.8
199.11191	1.4
199.14825	2.3
201.12766	1.2
203.14430	1.7
207.13763	1.2
212.12248	0.9
213.12740	2.2
217.15938	5.2
219.13887	1.5
223.13329	3.6
227.17929	3.3
231.13806	1.7
233.15150	0.8
237.16374	2.1
245.18991	2.8
249.14874	8.8
255.17503	7.7
263.20062	1.2
266.37750	0.7
273.18521	48.1
291.19556	100.0
292.19919	1.8
293.58722	0.8
296.99203	0.8
301.96118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	2.5
55.01875	12.4
55.05513	9.5
57.03423	2.4
57.07059	1.3
61.01056	0.5
65.01463	0.5
65.03908	0.8
67.05503	19.2
69.03423	2.2
69.07066	18.6
70.21957	1.3
70.22345	1.0
71.04984	3.8
73.78348	0.5
74.06054	0.5
75.68281	0.6
78.48388	0.6
79.05492	18.0
81.03419	14.3
81.07058	15.8
83.04977	11.7
83.08611	2.5
85.02894	1.3
85.06525	1.5
88.07610	0.9
91.05484	16.1
93.07043	18.9
95.04966	9.5
95.08607	18.3
97.02890	0.9
97.06535	12.1
97.10141	2.2
99.04457	4.1
99.08075	0.9
99.83074	0.6
105.07027	11.3
107.04952	57.9
107.08589	11.1
109.06509	7.7
109.10163	5.3
111.04440	22.1
111.08044	1.3
115.05452	1.5
117.07030	5.7
119.04911	1.5
119.08572	12.3
121.06488	8.2
121.10139	5.9
123.08066	6.9
123.11715	1.1
125.09620	2.6
127.07501	0.7
128.06204	1.2
129.07024	4.7
130.07777	0.7
131.08560	9.6
133.06479	4.2
133.10115	7.0
135.08060	10.6
135.11708	1.7
137.05914	0.7
137.09618	6.0
139.07529	1.2
141.06999	0.8
142.07765	0.8
143.08565	4.0
145.06461	0.9
145.10118	6.1
147.08020	4.7
147.11653	2.8
149.09621	32.5
149.13239	0.8
149.17375	0.6
151.11179	1.5
153.09117	7.0
155.10626	0.7
157.10149	4.6
159.08037	1.3
159.11734	2.9
161.09610	6.2
161.13261	1.0
163.11156	5.2
165.09193	0.6
165.12666	0.7
167.10666	0.9
169.10138	0.6
171.11758	3.0
173.09694	0.9
173.11758	0.8
173.13246	1.0
175.11143	6.0
177.12721	2.9
179.10674	1.0
181.10112	0.8
185.09688	0.6
185.13200	1.0
187.11287	1.4
189.11147	0.8
189.12769	2.6
193.12169	3.1
195.11530	0.8
199.11298	1.0
199.14868	0.7
203.10719	1.1
203.14340	0.6
205.12274	0.8
213.12723	0.6
213.16272	0.9
217.12202	0.8
217.15898	1.6
221.11723	3.2
223.13416	1.0
227.18036	1.3
229.23563	1.3
235.13315	3.4
237.16409	0.7
245.05974	2.9
245.19041	3.5
249.14795	1.5
249.18491	1.1
255.17453	3.2
263.19989	1.7
273.05573	1.0
273.18491	19.1
291.06647	3.4
291.19540	100.0
291.26697	6.1
292.19901	2.1
300.38556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03947	0.6
55.01859	1.7
55.05513	5.8
57.03417	0.5
59.04990	0.4
67.05502	3.7
67.34404	0.4
69.03427	0.8
69.07072	3.1
71.04993	0.7
79.05491	6.1
81.03420	1.1
81.07056	6.0
83.04966	1.0
83.08624	2.6
85.06528	0.6
91.05479	6.2
93.07049	6.1
95.04958	2.3
95.08605	2.2
97.06515	0.8
97.10162	2.3
105.07021	5.1
107.04952	4.8
107.08603	2.8
109.06488	0.9
109.10144	1.0
111.08064	0.5
117.07018	1.9
119.04963	1.3
119.08584	4.0
120.05755	0.4
121.06483	1.6
121.10120	1.6
123.08050	1.2
125.09618	1.1
129.06996	1.6
130.07773	0.5
131.08569	2.3
133.06456	3.2
133.10138	1.4
134.07278	0.7
135.08025	1.4
135.11662	0.8
135.98152	0.4
143.08577	1.4
145.10104	1.8
147.08051	2.7
147.11649	0.9
149.09631	2.5
149.13271	0.6
157.10098	0.9
159.11685	0.9
161.09622	0.9
161.13315	0.5
162.10410	1.3
163.11214	1.2
165.09114	0.9
171.11655	0.4
175.11139	0.8
187.11105	0.4
189.12704	0.4
202.86938	0.4
203.12431	0.4
223.13351	0.6
229.25064	0.5
236.89297	0.4
245.05980	0.8
249.14838	2.1
273.18481	3.8
291.06537	0.9
291.19534	100.0
292.19931	1.4
297.59540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01865	1.2
55.05511	3.9
57.03433	1.3
57.07060	0.9
59.04998	0.9
59.39355	0.6
65.97805	0.6
67.05172	0.6
67.05508	7.9
68.05833	2.2
69.03431	3.2
69.06715	1.0
69.07066	9.6
69.44450	5.9
70.12172	0.6
71.04982	2.0
79.05494	8.9
81.03407	1.2
81.07062	8.8
83.04992	3.0
83.08615	1.8
85.06528	0.9
87.27049	0.6
89.62244	0.6
91.05478	6.5
91.52498	0.6
92.05767	0.8
93.06472	1.1
93.07049	21.9
95.04967	2.5
95.08604	6.2
97.06548	2.5
97.10133	1.5
98.21568	1.2
99.55150	0.6
105.07039	8.1
107.04274	0.8
107.04964	6.2
107.08606	9.4
109.06524	13.7
109.10159	3.1
111.08039	1.1
111.11711	2.7
117.07024	1.8
119.04980	0.8
119.08572	4.5
121.06490	1.9
121.10146	36.7
123.08054	2.6
123.11642	0.9
125.09604	3.5
129.07045	0.9
131.08566	3.1
133.06514	1.3
133.10124	2.6
135.08063	5.9
135.11717	0.7
137.05971	6.6
137.09604	2.3
138.06317	4.6
139.11186	2.9
143.08566	1.7
145.10114	2.8
147.06728	0.6
147.08015	1.8
147.11684	2.0
149.09639	12.3
149.13181	1.0
151.07576	2.2
153.25525	0.6
153.69473	0.8
156.09367	0.9
157.10135	3.3
159.08035	0.9
159.11667	1.3
161.09621	1.5
163.11145	1.0
167.10683	100.0
171.11713	1.6
173.09624	1.2
173.13263	3.1
175.11230	2.1
186.97092	0.7
187.11215	1.0
187.15030	0.6
189.07111	1.2
189.12729	1.6
191.09039	0.7
191.10637	3.6
191.14340	3.7
197.13319	1.8
199.11093	1.0
213.16330	1.0
215.14333	2.8
217.06538	0.8
217.12268	1.0
217.15704	1.1
219.07948	0.7
233.15344	12.3
235.10338	0.7
245.05966	7.1
255.17493	2.5
273.05490	2.7
273.08118	1.4
273.18561	6.5
274.15189	8.1
275.16492	1.0
290.60928	1.0
291.06427	6.8
291.09286	9.4
291.19629	13.5
292.06644	0.7
306.05768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24682	0.6
52.15122	0.5
52.21487	0.6
53.03942	1.7
55.05501	1.6
56.05010	1.0
56.96543	2.0
57.03430	0.7
59.54088	0.6
61.02908	1.0
65.03958	3.0
67.05485	2.2
68.99759	0.6
69.03411	1.7
69.07055	1.6
71.04971	0.9
71.58330	0.9
79.05471	2.4
79.44114	0.5
80.04992	0.8
81.03430	2.9
81.07039	2.2
83.04978	2.0
84.04504	4.3
84.08136	0.7
85.02877	1.9
85.04824	1.7
86.09676	0.9
91.05473	2.6
93.03380	2.7
93.07062	3.4
94.06561	3.8
95.04958	2.7
95.08625	1.4
96.04475	1.6
96.08108	1.7
97.02871	0.8
97.06549	0.8
98.06047	1.3
98.97578	2.9
98.98448	0.7
99.04449	0.9
103.03921	1.3
105.07008	1.2
106.06582	0.8
107.04942	1.3
107.08565	1.6
108.04461	2.2
109.02858	1.8
109.06520	1.1
110.06034	1.8
110.09688	0.8
111.04442	1.1
112.03925	1.0
115.05432	1.2
116.98619	3.4
119.04913	1.3
119.08569	1.2
120.08079	0.9
121.06456	1.2
121.10168	0.8
122.06052	3.8
123.04417	2.0
123.08044	0.9
124.07588	8.6
126.05505	1.5
127.03902	2.7
129.04364	1.0
130.06483	0.8
131.08537	0.8
132.96603	0.7
133.06491	0.8
133.07539	0.9
134.05997	1.9
134.99681	1.6
135.08112	0.8
136.03923	5.7
136.07611	0.9
137.02319	3.7
137.05948	2.0
138.05469	0.9
138.09132	11.8
139.03902	4.6
140.07056	4.2
141.05453	0.8
142.07733	0.8
143.08511	1.3
144.08105	1.6
145.10043	1.3
147.04391	1.9
150.05498	1.8
151.07495	0.7
152.07109	1.9
154.04990	12.3
155.08562	0.8
156.08098	1.2
157.08879	1.1
158.06093	0.7
159.10406	0.8
159.11714	0.7
160.07605	1.5
160.11163	1.0
161.01230	1.8
161.07104	1.0
162.12839	0.7
163.03854	0.8
164.07085	1.3
167.07220	1.0
168.06549	2.3
168.07935	0.6
171.06880	0.9
172.07536	1.5
172.11226	2.2
173.10771	0.8
174.09190	1.9
174.11519	1.1
175.08733	1.5
175.12328	1.9
176.07007	0.8
176.10692	0.9
182.09569	0.9
184.07547	1.0
184.09914	1.6
185.08380	2.3
186.09123	1.9
188.07062	0.9
188.09283	1.1
188.10791	3.8
189.00748	1.0
189.06613	0.9
189.10208	1.9
189.13992	1.0
190.08691	1.6
190.12318	1.4
196.06020	4.2
198.07759	0.8
199.08641	2.6
199.12308	1.5
200.07224	0.9
200.09325	2.1
200.10936	6.2
201.00739	1.4
201.10271	1.7
202.08656	1.0
202.10991	1.9
203.08113	2.3
203.11732	3.9
204.10222	1.2
210.09190	1.3
212.09322	4.2
213.07852	1.9
213.10249	5.0
214.08842	0.8
215.08090	1.8
215.11801	4.7
216.10217	2.9
216.12598	1.7
217.09764	2.4
217.13339	5.4
218.11729	3.9
221.09235	1.4
226.07338	1.3
227.08186	7.6
227.11732	5.1
228.10266	20.9
229.10959	2.1
230.10248	1.5
231.07678	1.5
231.11316	3.8
232.12076	2.5
233.12886	1.6
240.08978	1.8
241.09737	10.2
242.10463	11.2
243.11282	22.2
244.12039	7.6
245.05945	1.3
245.09166	1.5
245.12862	15.0
246.11281	7.4
248.12875	1.7
249.02686	1.4
255.11290	6.0
256.09650	3.6
260.11551	3.9
261.12402	2.6
263.13885	0.9
273.12338	25.5
273.18472	1.1
274.10684	9.6
291.06561	2.4
291.13394	100.0
292.11349	1.3
292.14340	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	291.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01856	0.6
55.05494	2.0
56.05022	0.6
56.96556	1.0
57.03418	0.5
61.02909	1.0
65.03934	3.7
67.01841	0.8
67.05495	1.7
69.03409	2.2
69.07069	2.7
70.06579	0.7
70.99258	1.2
71.04971	0.5
72.08157	0.8
73.02923	0.6
75.14877	0.6
79.05482	1.5
80.04998	1.3
81.03408	1.3
81.07057	1.5
83.04967	2.0
84.04494	1.1
85.02890	2.3
91.05461	2.3
93.03407	3.3
93.07030	1.3
94.06570	2.1
95.04967	2.5
95.08602	1.4
96.04494	1.6
96.08116	1.9
97.06525	1.6
98.06068	0.9
98.97596	1.3
105.07034	2.1
106.06541	0.7
107.04856	0.8
107.08675	0.6
108.04464	2.3
109.02876	2.5
110.06042	1.4
111.04408	0.9
112.03963	1.4
112.07592	1.0
116.98656	0.7
117.07008	0.6
119.08516	0.7
121.06490	1.8
121.10144	0.7
122.06037	4.4
123.04418	0.8
123.06826	1.2
124.07586	6.4
125.09642	0.7
127.03939	1.6
130.06525	1.2
132.08098	0.9
134.06049	1.2
136.03952	8.2
136.05003	0.8
136.05191	0.7
136.06171	5.5
136.07539	1.6
137.02335	6.2
137.05952	1.6
138.09134	13.8
140.07066	3.6
143.08571	0.8
144.08046	1.3
145.08917	0.7
145.10095	0.7
146.09669	0.8
148.06210	1.2
150.05487	1.4
152.07108	1.0
154.04993	14.2
157.08900	1.9
158.09656	0.9
159.09154	1.2
160.07594	1.3
160.09972	0.9
160.11220	0.8
162.09087	0.8
164.07057	1.4
165.05386	0.7
167.07291	0.9
168.06602	0.8
172.07567	1.5
172.11211	1.8
173.08414	0.7
174.09167	1.9
175.08659	1.5
175.12343	1.8
176.07057	0.8
176.10753	0.7
184.07573	0.9
184.09927	1.7
185.08371	2.8
186.05467	0.6
186.09204	1.1
187.08606	1.3
187.10043	0.9
187.12387	0.9
188.10805	2.9
189.10321	1.2
189.13826	0.8
190.08653	1.5
190.12213	1.4
196.05995	1.4
198.07768	0.9
199.08643	2.1
199.12335	1.8
200.07181	1.2
200.09029	1.1
200.10851	6.2
201.10219	1.2
202.10948	1.7
203.08128	2.1
203.11813	4.8
204.10419	0.6
204.12323	0.6
210.06493	0.8
210.09068	1.0
211.08632	0.7
212.09375	3.5
213.08061	1.3
213.10231	4.9
214.10861	0.8
215.08112	1.6
215.11725	3.6
216.10201	3.7
216.12541	1.5
217.09680	1.8
217.13341	4.2
218.11682	1.3
223.09270	0.9
226.07379	1.3
227.08177	8.5
227.11745	6.0
228.10236	23.0
229.11317	2.9
230.10248	0.8
230.11955	0.7
231.11475	2.8
232.12076	0.9
233.12950	0.7
235.09418	0.8
237.02930	0.9
240.06363	0.6
240.08887	1.7
241.09737	8.7
242.10495	12.5
243.11267	12.2
244.09686	1.2
244.11998	6.4
245.09138	1.4
245.12857	18.3
246.11246	7.5
247.10783	1.1
255.11304	7.2
255.15115	1.0
256.09576	3.0
260.11600	2.6
261.09860	0.9
261.12357	1.8
262.10699	0.6
263.13885	2.3
273.12332	25.0
274.10730	7.2
274.14365	1.9
291.13376	100.0
292.11374	1.5
292.13895	2.1
293.09030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1338
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
53.03951	1.5
55.05512	1.2
55.51056	0.7
57.03436	1.4
57.32574	0.6
65.03950	3.6
67.01861	0.7
67.05502	2.6
69.03424	1.3
69.07062	1.4
69.18915	0.6
70.06591	0.9
71.45511	1.2
79.05477	2.4
80.05019	1.7
81.03439	0.7
81.05776	0.8
81.07049	1.7
83.04968	2.5
84.04523	1.3
85.02932	0.8
91.05484	1.9
93.03397	2.6
93.07044	2.1
94.06564	1.8
94.94135	0.7
95.04965	2.4
95.08603	1.2
96.04475	1.7
96.08118	1.6
97.06489	1.2
99.04478	0.7
105.07019	1.8
106.06564	0.8
107.08596	1.7
108.04514	1.8
109.02866	1.8
110.06075	1.0
111.04411	1.0
112.03954	1.2
112.07583	0.7
115.05434	0.9
117.07005	0.8
119.08567	1.8
121.06516	2.0
121.10158	1.4
122.06026	4.1
123.04402	1.3
124.07607	5.7
127.03918	1.3
129.05449	0.9
131.08560	1.4
133.10184	0.8
136.03955	4.5
137.02333	4.3
137.05963	1.4
138.09129	13.5
139.03894	1.1
140.07069	3.1
143.08551	1.3
145.08946	1.0
145.10124	2.1
147.11685	1.9
152.07111	1.3
154.04988	13.9
155.08528	1.1
156.48204	0.6
157.08888	1.7
158.06055	1.1
158.09686	0.8
159.10481	0.9
159.11720	1.8
160.07613	1.4
160.11154	0.8
162.09119	0.8
163.03914	0.9
164.07097	1.2
167.07378	0.8
172.07538	1.2
172.11221	2.9
174.09148	1.7
175.07422	1.0
175.12361	1.9
176.10750	1.0
178.04991	0.9
179.08864	0.7
182.09593	1.0
184.10008	1.4
185.08395	4.2
187.08675	1.3
187.12329	0.8
188.09315	0.9
188.10759	2.1
189.10196	1.1
189.13980	0.9
190.08806	1.4
190.12280	2.0
191.14308	1.0
196.06000	1.6
198.09369	0.8
199.06416	1.0
199.08659	3.1
199.12360	1.4
200.07199	1.0
200.09093	1.0
200.10840	6.6
201.10219	1.1
202.08679	0.9
202.10754	1.1
203.08217	1.5
203.11789	3.2
204.10284	1.1
209.07083	1.1
210.09106	0.9
211.08777	1.5
212.07660	0.8
212.09354	3.9
213.08115	1.6
213.10229	4.7
215.11751	3.8
216.10240	3.2
216.12273	1.6
217.09723	2.0
217.13304	5.1
218.11763	2.0
221.75545	0.9
226.07312	1.2
227.08211	7.5
227.11780	5.1
228.10222	23.4
229.10934	3.1
230.10252	1.1
231.11304	2.8
232.11990	3.4
233.12752	0.9
240.08945	1.0
241.09723	8.0
242.10497	12.9
243.11301	10.7
244.12006	6.5
245.12862	17.7
245.15428	0.9
246.11281	8.2
255.11317	4.7
256.09705	3.8
260.11533	1.9
261.12344	2.3
262.10596	0.8
263.14075	3.5
273.12344	21.7
273.14886	1.0
273.18634	1.2
274.10724	6.6
274.13815	1.0
291.06567	2.5
291.13400	100.0
292.14151	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01859	5.9
55.05503	9.5
56.96560	2.1
57.03437	8.7
57.07074	2.4
61.02926	4.1
67.01846	2.7
67.05506	13.6
69.03405	7.4
69.06718	2.7
69.07069	40.8
69.93480	4.9
69.93898	4.7
70.07387	2.1
71.04971	6.3
74.85705	2.1
79.05492	23.5
81.03411	4.2
81.07046	17.2
83.04962	5.0
83.08602	3.0
84.04491	4.6
85.02877	6.7
85.06528	5.1
89.03922	5.1
91.05465	17.2
93.07044	13.2
95.04961	7.6
95.08622	11.7
97.06530	92.1
97.10141	2.5
98.06836	3.0
98.97589	3.4
99.04430	2.4
105.03407	1.9
105.07014	10.8
107.04929	11.0
107.08576	7.7
109.02847	4.3
109.06492	5.0
109.10136	8.5
111.04428	2.0
111.08072	5.5
112.08808	2.5
116.98624	3.6
117.03392	6.0
117.07037	3.0
119.04929	6.5
119.08595	9.2
121.06458	3.1
121.10116	5.3
123.08080	3.5
123.11681	2.8
127.03896	8.6
128.06203	3.3
129.06984	3.4
129.09097	4.9
131.04926	5.3
131.08545	5.3
133.02859	6.5
133.06424	2.4
133.10109	6.0
134.99611	2.0
135.04408	8.6
135.08038	6.1
135.11638	4.4
137.05972	13.0
137.09619	5.2
143.08537	4.2
144.04451	2.8
145.02832	5.7
145.10088	4.2
147.04390	12.1
147.06775	11.5
147.07954	3.9
147.11658	2.9
149.09593	2.3
149.13219	2.4
151.07498	2.3
153.09077	2.3
157.06442	4.2
157.10158	4.4
159.04410	9.8
159.11676	3.6
161.01170	3.0
161.02357	31.2
161.09552	2.8
161.13289	1.8
163.03889	56.8
169.06621	2.1
173.02339	64.6
173.05904	1.9
173.13417	2.6
175.11198	2.0
177.05450	4.9
177.07829	3.8
178.09441	1.8
179.03419	3.4
185.05968	5.1
185.13152	2.6
186.03032	3.0
187.03932	2.1
187.07599	3.9
189.06929	12.2
189.12903	2.4
191.03384	32.7
191.08505	2.9
193.15826	2.4
197.05907	1.9
205.04933	3.7
213.09128	3.7
215.07025	100.0
217.04793	2.9
217.06540	6.5
233.08092	27.2
233.11638	3.3
241.08661	10.9
245.05974	62.7
247.07600	4.5
255.17523	2.2
259.09644	38.8
273.05475	25.0
273.11243	4.9
273.13904	2.2
273.18436	6.6
274.10611	1.8
274.15210	8.7
278.08337	2.1
291.06494	74.7
291.12061	5.9
291.14890	20.9
291.19852	14.4
291.22754	3.5
291.26431	2.2
292.06726	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	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01862	4.9
55.05509	8.1
56.96562	2.7
57.03431	8.3
57.07076	1.8
59.05004	2.1
61.02917	3.6
61.64623	1.1
67.05507	17.3
69.03420	4.9
69.07071	48.4
69.43195	13.1
70.07394	5.0
71.04984	3.3
79.05494	24.1
81.03401	5.1
81.07061	14.8
83.04981	3.7
83.08624	2.1
83.82078	1.2
85.02900	2.7
85.06539	3.9
87.08114	1.5
89.03909	5.7
91.05479	12.8
92.05773	2.2
93.07055	7.2
93.07539	1.5
95.04989	6.3
95.08619	11.2
97.02884	1.5
97.06535	100.0
98.20824	2.9
98.97603	2.6
99.08137	1.5
103.05453	3.5
105.03360	2.1
105.07024	7.2
107.04969	13.9
107.08591	5.7
109.02897	2.1
109.06528	3.9
109.10154	5.1
111.04459	1.6
111.08055	4.2
112.08838	1.7
115.05473	2.3
116.98626	3.3
117.03392	6.5
117.07018	2.2
119.04933	3.2
119.08564	7.0
121.06509	2.0
121.10137	4.1
123.04415	3.6
123.08100	3.0
123.11677	1.3
125.09632	1.4
128.06233	2.1
129.07033	2.3
129.09119	4.7
131.04907	5.3
131.08556	3.5
133.02869	7.5
133.06503	2.5
133.10126	2.9
134.99678	2.6
135.04427	11.0
135.08064	3.6
135.11673	2.1
135.16780	1.4
137.05975	15.6
137.09602	4.0
138.06342	6.5
138.09981	2.6
139.03877	2.8
139.11185	1.7
141.11549	1.7
143.04915	1.9
143.08528	1.8
145.02841	5.9
145.10117	3.7
145.37228	1.4
147.04404	6.8
147.06898	2.8
147.08037	3.0
147.11659	2.4
149.05930	1.7
149.09634	6.3
149.13243	2.8
157.06447	2.3
157.10120	1.8
159.04410	9.9
159.08064	2.2
161.01114	2.5
161.02357	32.9
161.09622	1.6
163.03922	56.5
165.05527	2.4
169.06480	1.5
173.02348	65.4
175.07507	1.5
175.14888	1.6
177.05493	3.1
177.08929	1.4
179.03340	2.8
181.06476	1.7
185.05995	5.9
187.03917	1.9
187.07512	3.9
189.06932	11.1
189.12779	1.7
190.07726	2.0
191.03400	43.6
191.08492	3.2
195.07982	2.7
197.05957	2.0
199.03894	1.4
207.08083	3.7
207.13799	1.4
213.09166	1.9
215.07039	95.6
217.04854	3.5
217.06664	8.3
218.07167	2.6
219.08130	3.3
223.07564	1.6
233.08098	30.9
233.10385	2.1
235.07466	2.3
241.08611	12.8
245.05989	67.4
246.06396	3.7
247.07666	3.1
259.09653	33.8
263.07034	2.1
273.05472	29.7
273.11603	3.7
273.14960	2.6
273.18436	5.5
274.05780	2.0
274.15231	20.9
291.06522	76.6
291.12268	7.3
291.15491	2.5
291.19589	13.6
291.23154	2.0
291.26831	1.8
292.06796	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	291.0974
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
55.05496	4.5
55.54031	0.9
57.03432	2.0
67.05505	2.4
68.99785	1.1
69.03403	1.5
69.07055	4.5
71.04973	1.3
71.08629	5.6
71.11104	2.6
79.05479	2.8
81.03407	1.2
81.07040	1.7
83.04979	5.3
84.04534	1.4
84.94083	1.3
85.02906	1.4
86.53850	1.1
87.00806	2.2
88.03984	1.6
91.05479	3.4
93.07039	2.2
95.04924	1.4
97.06523	4.7
99.04439	1.7
99.08106	9.5
100.11260	1.8
107.04926	1.1
107.08604	1.6
109.02886	1.3
115.05439	5.1
116.05045	1.0
117.05717	1.7
118.06542	11.1
119.08557	1.7
120.08126	1.3
121.10130	2.0
122.06059	1.1
127.03929	1.9
129.06990	1.5
130.06534	100.0
131.06903	1.5
132.08093	36.2
134.52190	1.2
135.08112	1.3
137.05972	5.3
138.09145	3.9
141.11577	1.6
141.45563	1.1
142.06516	10.3
143.07288	2.5
144.08035	5.1
146.06012	18.8
147.04425	1.5
147.06769	2.4
147.07962	1.5
153.12712	5.2
156.02914	1.8
156.08060	2.7
157.07657	5.1
158.06026	2.8
158.08385	4.7
159.09183	94.7
160.07608	8.6
160.09589	1.6
167.05965	1.2
169.07582	3.1
170.06018	35.9
174.03944	1.5
177.07811	1.9
181.07629	2.7
182.06049	1.3
183.09198	5.0
184.07582	17.2
185.07100	46.0
187.08694	3.1
188.07066	37.5
188.08774	1.5
189.07257	1.6
199.08649	2.7
200.07069	8.4
201.10275	12.0
205.09727	1.8
209.07011	2.3
217.54755	1.1
227.08167	39.2
228.10416	2.0
229.09784	3.0
231.07678	3.8
242.10530	1.3
243.11285	2.1
245.09227	93.5
246.09386	1.6
255.07619	4.6
262.30975	1.1
273.05786	2.2
273.08664	11.4
273.11658	1.4
274.14380	8.9
287.59766	1.1
291.06778	1.8
291.09637	3.1
291.13452	9.3
291.16757	7.2
291.19949	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.61840	0.3
51.02385	0.4
53.03969	0.4
55.01870	1.7
55.05499	0.5
56.96574	0.3
60.33923	0.4
65.03931	1.0
67.05534	1.6
68.99794	1.7
69.03426	0.9
71.05014	0.5
71.58921	0.6
76.67745	0.3
79.05474	0.7
79.82511	0.3
81.03428	0.5
83.04973	1.5
84.04503	0.7
85.02903	2.2
91.05474	2.5
93.03402	1.2
93.07031	0.8
95.04967	2.7
97.02914	1.2
97.06520	0.6
98.97586	0.7
99.04449	0.7
105.03377	0.6
105.07042	1.1
107.08582	0.7
109.02881	0.4
109.06557	0.4
111.04443	3.3
111.08112	0.6
111.46562	0.4
115.05466	1.2
116.98606	0.9
117.06991	0.6
119.04944	5.8
120.05254	0.4
123.04430	64.9
124.04806	1.2
125.09666	0.7
127.03917	1.4
131.04947	0.5
131.08501	0.5
133.06514	0.8
134.99619	0.5
135.04431	0.9
137.02382	0.9
137.05984	1.4
139.03905	100.0
140.04254	1.9
141.07043	0.4
143.04961	2.2
143.08617	0.4
145.02832	0.5
147.04416	20.8
148.04819	0.5
149.05948	0.5
151.03906	2.7
151.07576	0.5
153.05522	0.8
160.52577	0.3
161.05992	8.2
161.07249	0.6
163.03938	2.0
165.05481	15.6
166.05843	0.5
169.04935	2.0
171.04523	0.4
176.07098	0.5
177.05542	1.2
179.07022	2.7
181.05003	1.0
189.05511	2.3
189.09320	0.4
207.06543	6.5
207.08366	0.5
219.01913	0.6
245.06006	0.9
249.07646	1.4
255.11299	1.3
273.07645	1.5
273.18863	1.0
274.10883	0.4
274.14404	0.4
291.08664	7.5
291.13672	1.0
291.16827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01869	2.7
55.05504	6.5
56.96575	4.9
57.03432	4.9
61.02915	6.7
64.23140	2.3
65.75308	2.2
66.27597	2.2
67.05507	4.5
69.03431	20.0
69.07080	2.5
70.06596	9.1
70.56090	3.7
71.04962	2.6
72.93803	7.6
73.02919	3.4
73.80349	2.3
77.37094	1.9
79.05488	4.4
81.03419	7.3
81.07061	5.9
81.84995	2.0
83.04981	6.7
84.04507	4.7
84.08141	9.0
85.02906	28.0
86.06040	2.9
86.09666	2.2
88.04027	2.6
90.94829	8.1
91.05479	3.7
91.77333	2.2
92.68707	2.2
93.07060	5.9
95.04984	3.8
95.08616	2.9
97.02897	59.2
97.06508	2.6
97.18761	2.3
98.97595	5.4
98.98484	2.4
99.04472	4.4
102.94874	2.8
104.96396	4.7
105.07024	4.4
107.08604	4.3
108.95893	2.9
109.02889	6.9
110.07162	2.8
110.96448	2.2
111.04447	10.5
116.98650	2.6
118.06898	2.8
119.01937	9.2
121.01697	7.4
121.06493	2.7
122.97416	2.6
126.05547	3.0
127.03925	9.4
127.07078	4.4
129.05490	100.0
130.06557	4.7
131.01900	4.2
132.95859	6.3
133.03477	7.8
135.11671	3.3
136.06192	7.7
137.03021	2.5
137.05980	4.0
144.13850	6.7
145.03500	4.4
145.05011	3.7
146.97430	4.5
146.99686	3.7
149.03085	3.1
150.96910	7.3
155.01848	2.5
159.02934	4.4
161.02980	7.7
173.05481	3.1
175.04430	2.5
177.00746	3.6
182.06151	3.4
188.94875	6.1
189.02505	6.0
190.98624	2.8
191.04054	3.1
192.97992	3.0
206.95895	9.1
211.04684	3.5
217.06363	2.7
230.95871	13.6
231.03606	2.9
237.06291	2.6
245.05952	9.9
246.09949	4.6
248.96977	9.3
273.05634	4.3
277.04105	4.1
291.08652	28.3
291.13434	3.2
291.16516	5.1
291.19467	6.0
291.22971	2.6
309.04895	3.8
309.08560	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	291.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93078	0.2
52.50657	0.2
53.03912	0.3
55.01822	0.4
55.05460	0.3
57.03405	0.3
61.02890	0.2
65.26720	0.3
67.05444	1.4
67.57897	0.2
69.03371	0.8
69.07015	1.0
71.58833	0.2
71.59241	0.2
77.54143	0.2
79.05444	0.9
81.03353	0.4
81.06988	0.9
84.04440	0.9
85.02848	0.8
85.04797	0.5
85.06483	0.3
91.05485	1.3
93.06986	0.8
95.04926	0.5
95.08553	0.9
97.02887	0.5
97.06476	1.0
97.77057	0.3
98.97501	0.4
105.06982	0.8
107.04977	1.4
107.08539	0.7
109.06432	0.2
109.10110	0.4
111.08041	0.3
116.98590	0.3
117.06995	0.4
119.04852	0.7
119.08521	0.6
121.02841	0.6
121.06413	0.3
121.10094	0.4
123.04438	1.3
123.07999	0.3
123.11658	0.2
127.03850	0.5
129.06953	0.3
131.04889	0.4
131.08531	0.4
133.10060	0.3
134.25729	0.2
135.08095	0.2
135.11600	0.4
137.05966	2.3
137.09537	0.3
138.06190	0.3
138.09926	0.3
139.03888	1.3
141.04390	0.2
141.06889	0.3
143.08391	0.3
144.07999	0.3
145.10045	0.3
147.04330	0.7
147.06754	0.4
147.07898	0.3
147.11604	0.3
152.06192	0.4
159.11671	0.3
165.05493	0.4
165.06898	0.5
169.02821	0.4
169.06410	0.2
172.24287	0.2
177.06831	0.3
178.07771	0.7
179.08472	0.8
181.06447	0.4
187.07603	0.3
189.06979	12.2
190.07735	2.4
191.08560	4.4
193.06488	0.3
195.08037	0.5
200.06216	0.3
201.06953	1.2
202.07774	1.6
203.08452	0.3
205.06450	1.6
207.08090	2.6
215.07002	1.1
217.06491	9.6
218.07246	2.0
219.08054	5.1
221.05965	1.7
223.07582	1.2
226.07692	0.7
227.08553	1.5
229.07683	1.3
231.08022	0.5
233.11751	0.6
234.06758	0.7
235.07516	1.9
237.09106	1.3
244.04982	0.3
244.08817	0.4
245.05975	82.8
245.09473	2.3
246.06277	1.6
247.07503	3.3
255.08031	1.7
258.07037	0.5
263.07034	1.9
273.05472	38.7
273.08929	3.1
274.05856	0.5
274.15118	1.2
291.06537	100.0
291.10089	8.7
292.06848	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	291.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05509	1.3
57.07069	0.5
67.05499	1.5
69.03395	0.5
69.07032	1.0
70.06563	0.8
70.25206	1.2
79.05493	2.2
81.07063	2.6
83.08591	0.7
88.07616	1.4
91.05517	1.9
93.07041	1.3
95.04956	0.7
95.08578	1.3
97.10143	0.4
102.09159	0.6
105.07027	1.6
107.04948	1.2
107.08574	1.0
109.06437	0.4
109.10136	0.7
117.07021	0.6
118.83049	0.3
119.08585	1.7
121.02869	0.6
121.06424	0.7
121.10129	0.6
123.04466	0.4
123.08089	0.4
125.09625	0.4
129.07013	0.5
131.04890	0.4
131.08553	0.8
133.06459	0.7
133.10124	0.5
135.08029	0.8
143.32266	0.3
145.10103	0.9
147.07982	0.7
149.09612	1.1
149.13245	0.3
157.10085	0.5
165.07013	0.7
169.02815	0.7
169.34605	0.3
178.07802	0.5
179.08571	0.8
181.06519	0.4
189.06987	12.8
190.07825	2.2
191.08566	4.1
201.06979	1.1
202.07726	0.8
205.06476	1.2
207.08061	2.5
217.06462	8.8
218.07251	2.4
219.08025	5.5
221.05998	1.9
223.07538	1.1
228.23219	1.3
229.07619	1.1
229.23586	0.6
234.06754	0.8
235.07558	2.0
236.69292	0.3
237.09100	0.9
245.05975	81.7
246.06354	1.9
247.07515	3.6
263.07050	2.0
273.05460	38.7
273.18585	1.8
274.05832	0.7
290.26883	4.2
291.06509	100.0
291.19522	4.9
291.27081	2.5
292.06891	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	291.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01867	0.5
55.05515	1.5
57.03384	0.2
67.05507	1.7
68.24081	0.2
69.03410	0.5
69.07059	0.5
69.47713	0.2
70.00116	1.1
70.06565	0.2
71.04990	0.3
79.05498	1.6
79.37560	0.2
81.03416	0.6
81.07069	2.5
83.04979	0.5
83.08606	0.4
85.06473	0.3
88.07630	0.3
91.05492	2.1
93.07047	2.0
95.04954	0.6
95.08638	1.1
97.06493	0.4
97.10163	0.4
105.07015	1.3
107.04961	2.1
107.08604	1.3
109.06499	0.6
109.10128	0.9
117.07017	1.1
119.04884	0.3
119.08603	1.4
121.02908	0.4
121.06501	0.7
121.10107	0.5
123.08040	0.4
129.06985	0.4
131.08557	0.7
132.10164	0.5
133.06491	0.5
133.10135	0.8
135.08031	0.8
135.11728	0.3
143.08551	0.5
145.10121	1.0
147.08002	1.0
147.11682	0.3
149.09598	0.7
149.13223	0.3
150.11255	0.5
157.10126	0.6
159.11650	0.4
161.09660	0.5
163.11101	0.4
165.07097	0.5
169.02847	0.7
170.03633	0.3
177.06993	0.4
178.07736	0.9
179.08569	1.0
181.06467	0.5
189.06996	13.5
190.07753	2.5
191.08572	4.3
193.06482	0.7
195.08080	0.8
201.06999	1.4
202.07753	1.0
205.06598	1.9
207.08099	2.5
217.06499	10.0
218.07303	2.2
219.08067	5.3
221.06007	1.9
223.07565	0.9
229.07823	1.3
234.06812	0.6
235.07500	1.6
237.09148	1.3
244.05403	0.3
245.05994	84.1
246.06396	1.5
247.07520	3.3
249.14857	0.4
249.18620	0.2
255.17455	0.3
263.07126	2.1
273.05481	37.6
273.18573	2.7
274.05893	0.7
274.14954	0.2
290.27017	1.6
291.06537	100.0
291.19489	4.6
291.27069	1.5
292.06915	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02988	0.3
58.13862	0.3
63.79194	0.3
66.64386	0.3
69.07040	0.9
70.04872	1.5
71.15865	0.3
76.73601	0.3
93.07030	0.3
95.08573	0.3
100.11231	0.3
121.02837	0.4
131.04903	0.3
141.24413	0.3
165.06999	0.7
169.02907	0.4
177.06943	0.3
178.07793	0.8
179.08574	0.7
181.06467	0.5
189.06984	13.2
190.07756	2.1
191.08571	4.3
193.06461	0.3
201.06998	1.1
202.07764	0.9
205.06413	1.5
207.08096	2.8
217.06476	9.4
218.07256	2.7
219.08041	5.3
221.06017	0.9
223.07506	0.9
229.07607	1.3
234.06721	0.4
235.07515	1.5
237.09142	1.3
245.05978	77.6
246.06215	2.1
247.07454	2.7
263.07181	1.7
273.05457	36.6
274.05762	0.8
274.15186	0.5
291.06512	100.0
292.06833	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87375	0.3
54.35746	0.4
55.01848	0.6
55.05507	0.5
57.03417	0.4
67.05491	1.0
69.07065	2.1
71.14669	0.8
79.05466	1.3
81.03408	0.6
81.07045	0.8
89.03928	0.5
91.05473	0.9
93.07021	0.9
95.04938	0.5
95.08545	0.4
97.05933	0.4
97.06535	6.2
107.04942	1.0
107.08591	0.6
109.10152	0.7
117.03301	0.5
119.08582	0.5
121.02856	0.7
121.10104	0.5
131.04881	0.5
133.02785	0.4
135.04408	0.5
135.08046	0.5
136.00882	0.4
137.06070	0.4
145.02805	0.6
147.04317	0.4
149.09695	0.4
159.11787	0.4
161.02357	2.0
163.03929	3.7
165.07025	0.5
173.02380	3.9
173.13164	0.4
177.06879	0.4
178.07809	0.7
179.08527	1.0
181.06525	0.5
189.06981	14.0
190.07710	2.1
191.03389	1.4
191.08549	5.4
193.06461	0.5
195.08084	0.5
195.57779	0.4
201.06975	1.5
202.07793	1.3
205.06493	1.8
207.08067	3.1
215.07045	5.9
217.06473	10.9
218.07216	3.0
219.08058	5.7
221.05910	1.2
223.07509	1.0
229.07599	1.1
233.08086	1.5
234.06671	0.9
235.07492	2.0
237.09079	1.1
241.08633	0.6
245.05984	91.7
246.06384	1.5
247.07501	4.2
259.09628	1.8
263.06961	1.8
273.05466	39.8
273.18433	0.6
274.05688	0.6
274.15158	0.5
278.42041	0.4
282.09497	0.4
291.06519	100.0
291.19583	1.3
292.06778	1.7
294.88934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01853	1.2
55.05497	1.7
56.92617	0.6
57.03428	1.4
62.12599	0.6
67.05483	2.6
69.03409	1.0
69.07085	4.5
69.08940	0.5
70.70486	1.2
70.70826	1.4
71.04985	1.4
79.05486	4.3
81.03406	1.6
81.07071	3.3
83.04943	1.2
85.02888	2.6
85.06540	1.2
91.05479	3.8
93.07058	3.3
95.04938	1.4
95.08585	2.6
97.02959	0.8
97.06535	5.4
98.97594	0.8
99.04446	1.3
105.07041	3.4
107.04946	1.1
107.08587	2.9
109.06489	1.1
109.10139	2.0
111.08039	0.8
116.98608	0.8
117.06974	0.9
119.04954	3.0
119.08540	1.3
120.08076	0.9
121.02815	0.7
121.06464	0.9
121.10162	1.4
123.04462	0.9
123.08053	1.0
123.11678	0.7
127.03928	1.9
128.23393	0.7
129.06946	0.6
130.06529	1.2
131.08572	0.9
133.06450	0.8
133.10156	1.5
135.08051	1.0
135.11678	1.2
137.05981	4.0
137.09583	1.2
143.08562	1.7
145.06183	0.6
145.10126	2.1
147.04420	8.6
147.06758	1.9
149.09525	1.0
151.07497	0.9
158.99878	0.7
161.06194	0.7
161.09703	1.0
161.13271	0.8
163.03897	2.9
167.36925	0.6
169.02708	1.0
173.02361	3.0
178.07831	1.1
178.09459	0.6
179.08534	1.0
181.06502	1.5
184.57959	0.7
185.13387	0.7
189.07007	14.0
190.07730	1.6
191.03412	1.6
191.08556	3.6
191.14241	0.8
193.06569	0.8
201.07047	1.4
202.07820	2.1
205.06491	1.6
207.08098	3.2
215.07030	3.1
217.06468	9.4
218.07239	2.4
219.08133	5.8
221.06128	1.6
223.07559	1.6
229.07718	0.8
233.08095	0.9
233.11737	1.5
234.06648	0.9
235.07536	1.3
237.09102	0.8
245.05989	93.3
246.06351	1.4
247.07568	3.1
249.18565	0.8
251.19806	0.6
259.09677	1.8
263.07025	1.6
263.10818	1.1
273.05472	38.2
273.18747	1.6
273.21793	0.8
274.15164	2.2
291.06528	100.0
291.14746	1.7
291.19635	2.9
291.23163	1.4
292.06812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05513	2.3
56.96550	0.9
57.03430	1.2
61.02901	0.7
66.92987	0.5
67.01855	0.6
67.05504	3.3
69.03400	2.0
69.07069	5.6
69.44541	0.4
69.44884	4.1
70.07410	0.6
71.04972	0.9
73.70653	0.4
79.05489	3.2
81.03391	1.1
81.07059	3.2
83.04956	0.9
83.08603	0.7
84.04460	0.4
84.95998	0.5
85.02908	1.7
91.05488	3.3
93.07052	2.7
95.04971	1.2
95.08614	2.4
97.02879	0.6
97.06536	6.8
103.05432	0.5
105.07037	2.6
107.04952	2.1
107.08592	2.8
109.02876	1.0
109.06509	1.3
109.10178	2.4
111.08078	0.9
117.06998	0.8
119.01843	0.5
119.04953	2.1
119.08578	1.8
121.02887	0.7
121.06502	0.6
121.10133	1.5
122.01967	0.5
123.04389	0.7
123.08040	0.7
123.11703	0.8
125.09563	0.6
127.03896	1.6
129.06978	0.7
130.07843	0.4
131.08542	1.3
133.02831	0.6
133.10126	0.8
134.21747	0.4
135.04408	1.0
135.08046	0.7
135.11671	1.0
137.05956	3.3
137.09618	0.8
138.06364	0.9
139.03928	0.6
143.08562	0.8
144.04492	0.7
145.02856	0.6
145.10109	1.2
146.05962	0.5
147.04416	4.7
147.06781	1.3
147.08011	0.8
147.11690	0.5
149.09521	0.5
149.13287	0.7
157.10155	1.3
159.04376	0.9
159.08017	0.8
159.11690	1.1
161.01175	0.6
161.02315	2.7
161.09662	0.7
161.13217	0.7
163.03973	3.6
165.06917	0.6
173.02359	4.1
173.13245	0.7
175.14868	0.5
177.05490	0.7
179.08517	1.2
181.06477	0.6
189.06984	13.7
189.08737	0.7
190.07681	2.3
191.03400	3.6
191.08546	4.9
193.15877	1.3
195.08058	0.9
201.06976	1.4
202.07768	0.8
205.06517	1.2
207.08035	2.6
215.07043	7.3
217.06506	9.5
218.07236	3.7
219.08029	6.0
221.05966	2.0
223.07457	1.4
229.07629	1.2
233.08122	3.1
234.06757	0.7
235.07526	2.6
237.09103	1.1
245.05989	85.3
246.06412	2.5
247.07527	3.0
255.17587	0.6
259.09650	2.1
263.07080	1.8
273.05466	39.2
273.18506	2.2
274.05966	1.0
274.15216	4.5
291.06525	100.0
291.19513	3.3
291.23004	0.9
292.06769	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	30.9
55.05518	23.9
56.96555	50.4
57.07062	25.1
67.05505	44.8
69.03416	53.2
69.07063	28.7
70.06586	26.1
71.01358	24.4
71.04973	45.3
73.02902	21.5
79.05485	46.9
81.03410	39.1
81.07047	40.8
83.08637	26.3
84.08136	82.8
85.02906	100.0
91.00533	21.1
91.05466	27.8
91.65971	18.3
93.07043	53.1
95.08569	29.9
97.02906	48.2
98.97586	41.7
98.98473	35.4
105.07082	24.3
107.04977	28.6
107.08612	24.7
109.02866	39.8
111.08089	41.5
111.38715	19.2
116.98587	36.2
117.07081	21.9
123.04355	22.9
126.61762	18.5
127.03886	80.2
129.06976	18.9
129.09100	65.2
130.06554	99.1
134.99637	25.9
135.11699	22.6
137.05957	22.0
161.01237	32.0
163.03874	28.9
177.00714	48.6
201.07727	23.2
203.65656	21.9
245.05974	46.0
247.14383	27.0
249.18282	28.7
268.99338	19.5
273.05475	29.6
273.12332	22.5
279.56888	19.2
291.06564	67.1
291.10187	22.2
291.13446	90.4
291.16983	71.8
291.19830	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60376	0.3
52.21806	0.2
55.01863	1.7
55.05518	1.4
56.96571	0.3
57.03419	0.8
57.07061	1.1
65.70341	0.2
67.05502	3.8
69.03428	0.5
69.06720	0.3
69.07066	3.9
70.06593	2.6
71.04987	0.3
71.08621	0.6
71.76500	0.2
73.02921	2.4
73.06543	1.2
79.05497	1.8
81.03410	0.9
81.07055	1.6
83.04962	0.3
83.08628	0.5
84.04495	0.4
85.10161	0.3
86.58158	0.3
88.07621	2.0
91.05476	2.4
93.07062	1.5
95.04961	1.0
95.08589	0.9
97.06533	0.8
97.10166	0.3
101.05965	0.3
105.07056	1.4
106.08644	0.4
107.04955	1.8
107.08589	1.3
109.02866	0.3
109.06517	2.6
109.10155	0.8
114.09180	0.6
117.06992	0.9
118.06542	8.1
119.04945	0.5
119.08567	1.0
121.02821	0.3
121.06500	0.9
121.10113	0.7
123.08048	0.5
127.03922	0.4
128.04250	0.5
129.06955	0.5
131.04919	0.3
131.08565	1.0
132.08086	3.6
132.09058	0.4
132.09251	0.3
132.10201	2.9
133.08862	1.3
133.10127	0.6
134.09628	0.6
135.08067	4.0
137.05980	3.0
137.09616	0.8
143.08513	0.6
145.10107	0.6
146.09651	2.4
147.08047	0.6
147.11723	0.3
149.09599	0.8
150.11273	2.7
157.10112	0.4
159.08014	0.3
159.11667	0.4
160.11198	0.4
161.09584	0.4
163.11171	0.3
165.06917	0.3
175.07515	0.3
176.14349	38.0
177.07071	0.3
177.13066	0.3
177.14659	1.1
178.07805	0.3
179.08559	0.5
189.06987	10.8
190.07782	2.2
191.08545	4.1
193.06494	0.4
199.14841	0.3
200.06282	0.4
201.07013	0.7
202.07768	1.4
202.15948	0.8
205.06505	1.9
207.08032	1.9
217.06474	8.0
217.15903	0.7
218.07277	2.3
219.08041	4.4
221.05923	1.5
223.07549	1.0
229.07520	1.0
229.31801	0.3
232.13338	0.7
234.06807	0.4
235.07588	1.8
237.09096	1.4
244.05206	0.4
245.05980	66.7
246.14940	1.4
246.24274	1.0
247.07477	2.9
247.15739	0.4
249.05576	0.3
255.17398	0.5
258.06668	0.5
260.16495	0.5
263.07129	1.0
273.05481	29.9
273.14847	1.8
273.18481	2.9
290.08762	1.1
290.21152	100.0
290.26431	15.2
291.06531	80.7
291.19409	4.2
291.21735	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	290.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60376	0.3
52.21806	0.2
55.01863	1.7
55.05518	1.4
56.96571	0.3
57.03419	0.8
57.07061	1.1
65.70341	0.2
67.05502	3.8
69.03428	0.5
69.06720	0.3
69.07066	3.9
70.06593	2.6
71.04987	0.3
71.08621	0.6
71.76500	0.2
73.02921	2.4
73.06543	1.2
79.05497	1.8
81.03410	0.9
81.07055	1.6
83.04962	0.3
83.08628	0.5
84.04495	0.4
85.10161	0.3
86.58158	0.3
88.07621	2.0
91.05476	2.4
93.07062	1.5
95.04961	1.0
95.08589	0.9
97.06533	0.8
97.10166	0.3
101.05965	0.3
105.07056	1.4
106.08644	0.4
107.04955	1.8
107.08589	1.3
109.02866	0.3
109.06517	2.6
109.10155	0.8
114.09180	0.6
117.06992	0.9
118.06542	8.1
119.04945	0.5
119.08567	1.0
121.02821	0.3
121.06500	0.9
121.10113	0.7
123.08048	0.5
127.03922	0.4
128.04250	0.5
129.06955	0.5
131.04919	0.3
131.08565	1.0
132.08086	3.6
132.09058	0.4
132.09251	0.3
132.10201	2.9
133.08862	1.3
133.10127	0.6
134.09628	0.6
135.08067	4.0
137.05980	3.0
137.09616	0.8
143.08513	0.6
145.10107	0.6
146.09651	2.4
147.08047	0.6
147.11723	0.3
149.09599	0.8
150.11273	2.7
157.10112	0.4
159.08014	0.3
159.11667	0.4
160.11198	0.4
161.09584	0.4
163.11171	0.3
165.06917	0.3
175.07515	0.3
176.14349	38.0
177.07071	0.3
177.13066	0.3
177.14659	1.1
178.07805	0.3
179.08559	0.5
189.06987	10.8
190.07782	2.2
191.08545	4.1
193.06494	0.4
199.14841	0.3
200.06282	0.4
201.07013	0.7
202.07768	1.4
202.15948	0.8
205.06505	1.9
207.08032	1.9
217.06474	8.0
217.15903	0.7
218.07277	2.3
219.08041	4.4
221.05923	1.5
223.07549	1.0
229.07520	1.0
229.31801	0.3
232.13338	0.7
234.06807	0.4
235.07588	1.8
237.09096	1.4
244.05206	0.4
245.05980	66.7
246.14940	1.4
246.24274	1.0
247.07477	2.9
247.15739	0.4
249.05576	0.3
255.17398	0.5
258.06668	0.5
260.16495	0.5
263.07129	1.0
273.05481	29.9
273.14847	1.8
273.18481	2.9
290.08762	1.1
290.21152	100.0
290.26431	15.2
291.06531	80.7
291.19409	4.2
291.21735	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	290.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
55.01881	1.2
55.05514	2.7
56.96556	1.5
57.03431	2.4
62.15620	0.9
65.03936	2.9
67.05508	53.0
69.03442	5.1
69.07071	68.9
70.07413	0.8
71.05001	2.0
73.95995	0.7
74.51585	0.8
79.05498	11.1
81.03408	4.6
81.07055	8.2
83.05014	1.4
84.04502	1.8
85.02919	1.1
87.34550	0.7
88.07637	1.0
91.05483	29.0
93.07046	9.2
95.04970	4.7
95.08628	4.6
97.06541	0.8
98.20750	2.6
98.97587	3.7
105.07052	1.7
107.04958	1.8
107.08611	3.1
109.02914	1.1
109.06531	3.4
109.10154	10.8
116.98643	2.8
117.07010	1.7
119.04947	12.9
119.08559	5.5
121.06467	1.2
123.04420	1.0
123.62673	0.9
127.03865	1.0
132.15115	0.9
133.10086	0.9
134.99695	1.7
135.04405	1.5
135.08112	0.8
136.05219	1.2
137.05983	100.0
137.09613	17.1
138.06332	2.4
147.04449	2.9
147.11659	0.8
148.17783	0.8
149.06013	2.0
159.36363	0.8
161.01157	1.1
161.05995	1.9
163.07527	1.8
177.00633	1.2
179.08597	1.3
201.00891	1.0
201.82878	0.8
229.12224	1.2
231.14020	1.2
245.05920	4.8
255.13861	1.5
273.05548	2.3
273.14862	96.5
274.15195	4.3
290.08862	3.4
290.17538	19.1
290.26834	1.5
291.06659	8.6
291.19675	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.175
Annotation	Lycoramine
Peak:m/z	Relative Intensity
55.05511	1.0
56.05032	1.1
56.96558	1.5
57.07066	1.4
58.06596	0.9
62.52216	0.3
64.23553	0.3
65.03938	1.1
67.05503	9.0
69.07068	3.9
71.08635	0.9
71.26598	0.4
71.26940	0.4
73.48340	0.3
74.06084	1.4
79.05491	2.1
81.07055	2.4
82.06576	3.3
83.04979	0.7
83.08605	0.6
86.48130	0.4
88.07632	5.6
91.05472	0.9
93.03403	1.4
93.07044	3.2
95.04989	0.8
95.08601	2.2
97.06545	2.1
105.07065	0.7
107.04993	0.4
107.08604	3.2
109.10138	0.9
110.06045	30.5
111.04446	9.1
117.06973	0.5
118.08668	0.9
121.06502	0.3
122.08121	1.0
123.04433	1.2
131.08546	0.4
133.10106	0.9
135.08162	0.4
135.11696	4.1
137.06017	1.1
138.05504	100.0
139.05835	1.0
145.06450	0.6
145.10196	0.4
149.05884	0.4
153.12778	0.6
163.07538	0.7
168.13908	0.5
215.08646	0.4
216.08951	1.1
226.11137	5.2
228.23187	0.4
230.16225	0.6
234.09785	0.5
242.24768	7.0
243.07864	0.5
244.08429	3.5
244.12192	4.8
249.12733	0.6
262.09711	0.5
267.09158	0.3
267.13937	1.4
272.07877	2.1
273.14899	0.5
290.05637	0.7
290.08923	12.3
290.17563	6.3
290.26889	19.5
290.29346	0.8
291.06476	0.7
291.09314	0.5
291.19385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01863	1.1
55.05514	6.6
57.03418	1.0
57.07059	0.9
59.04984	0.7
67.05507	7.3
69.03423	0.7
69.07068	5.4
69.34506	0.7
69.34901	4.1
70.06586	0.6
70.07401	0.4
73.06551	1.0
79.05495	5.5
79.86119	0.4
81.03410	1.1
81.06640	0.6
81.07066	7.2
83.04977	0.8
83.08613	4.0
85.02905	0.8
85.06537	1.3
86.26709	0.4
88.07632	1.3
90.00297	0.5
91.05483	14.4
93.07043	5.3
95.04951	1.5
95.08612	6.3
96.26524	0.5
97.06550	0.7
97.10161	1.2
99.08064	0.7
103.05446	0.9
105.07031	23.5
106.07342	0.6
107.08598	4.1
109.06509	0.7
109.10161	2.9
111.08065	1.0
115.05439	0.5
117.07005	4.4
119.08582	15.9
121.06513	0.8
121.10153	1.9
123.04458	0.5
125.09590	1.3
127.03915	8.1
129.06995	1.1
131.08572	5.7
133.10135	10.8
135.04422	0.4
135.08003	1.5
135.11731	1.0
142.07806	0.6
143.08569	2.0
145.06375	0.7
145.10133	10.6
147.08032	1.2
147.11696	12.2
149.09628	1.0
155.08574	0.7
157.10107	2.8
159.08032	0.9
159.11694	7.9
161.09598	1.2
161.13268	4.8
163.07544	0.9
169.10101	1.4
171.11670	1.8
173.09612	0.6
173.13274	3.8
175.11201	0.7
175.14812	0.6
183.11693	1.8
185.13358	0.8
187.11133	0.5
187.14780	0.7
189.06918	0.5
189.12718	0.7
190.07826	0.9
193.12280	0.9
197.13245	1.7
199.45911	0.5
202.07819	0.5
205.06293	0.5
205.10185	1.2
211.14827	1.0
213.16235	0.6
215.08580	9.7
215.14333	0.5
215.17969	0.9
216.08923	0.6
218.07281	2.6
219.07892	0.6
226.07764	0.8
229.06384	0.6
229.15979	0.9
229.19505	0.6
232.08804	0.6
233.09583	5.8
234.06740	0.6
239.17966	4.2
242.07365	2.6
243.08058	29.7
244.08357	1.8
247.07547	0.9
257.19031	8.4
258.19592	0.8
261.09073	5.2
261.18600	0.5
271.07538	16.0
271.16943	1.1
272.07858	1.5
285.09940	0.8
289.08597	100.0
289.18036	7.1
289.21613	33.2
289.29169	6.0
290.08936	8.8
290.18539	1.0
290.21915	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01860	1.6
55.05522	9.0
57.03434	1.2
57.07062	1.7
63.29427	0.8
63.91139	0.9
64.22756	0.9
67.05508	11.4
69.03400	1.2
69.07069	6.8
71.04992	1.7
71.58392	1.3
79.05502	9.2
81.03405	1.3
81.07059	15.5
83.04972	2.5
83.08607	4.8
85.06522	1.4
86.09686	1.4
91.05480	21.6
93.07038	10.1
95.05005	1.4
95.08615	8.7
97.10160	3.0
99.08086	1.0
105.07032	36.3
106.07355	1.1
107.04943	1.8
107.08579	7.8
109.06506	2.1
109.10152	3.9
111.04451	0.8
111.08092	1.1
117.07016	6.3
117.12801	0.8
119.07832	0.9
119.08579	26.3
121.06479	2.9
121.10138	3.4
123.04518	1.1
123.37955	1.0
124.99989	1.1
125.09612	1.8
127.03916	14.5
128.06250	1.2
129.07011	2.4
131.08563	10.7
133.06465	1.4
133.10141	20.2
135.08031	3.6
135.11682	2.5
142.75063	0.8
143.08585	2.7
145.10133	17.4
147.08061	2.1
147.11685	18.8
148.11977	0.9
149.09612	1.6
149.13258	0.9
155.08618	1.6
157.10147	4.2
159.11702	10.8
161.09639	3.5
161.13281	6.6
163.11195	2.8
169.10159	2.2
171.11723	4.3
172.21617	1.0
173.13272	6.4
175.11209	1.5
175.14857	1.4
177.12730	3.4
183.11679	3.1
184.07364	1.7
185.13263	1.1
187.11192	1.7
187.14987	1.4
189.06969	0.9
189.12804	1.4
197.13245	2.6
202.07706	1.1
208.29030	0.8
211.14822	1.1
213.16479	1.0
215.08566	10.2
215.14290	1.1
215.17947	1.7
218.07312	2.6
231.41368	1.0
233.09656	6.1
239.17940	5.0
240.09993	1.7
242.07321	3.3
243.08081	28.2
243.21129	1.3
244.08417	2.9
257.19000	14.2
258.19595	1.4
261.09067	5.0
261.22205	1.8
262.09567	0.9
271.07532	13.4
271.17062	2.0
271.20544	1.9
272.07895	1.1
289.08609	100.0
289.18091	7.9
289.21594	70.7
289.24979	1.6
290.08920	8.7
290.21924	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36966	0.5
53.03924	0.6
55.01871	1.8
55.05508	8.9
57.03430	3.4
59.04976	1.0
61.91698	0.5
65.03949	0.6
67.05501	8.6
69.03435	0.6
69.07069	6.4
69.29995	6.7
71.04984	1.0
73.06525	0.5
79.05051	0.9
79.05482	7.6
81.03428	1.3
81.07052	9.0
83.04973	3.1
83.08611	5.6
85.02911	0.8
85.06535	1.6
91.05482	18.5
93.07031	7.9
95.04951	1.0
95.08611	7.3
97.06519	0.6
97.10173	1.3
103.05489	1.0
105.07030	25.5
107.04948	1.3
107.08597	5.6
109.02866	0.7
109.06508	2.2
109.10143	3.4
111.04445	0.6
111.08089	0.9
115.05454	0.8
117.07017	8.1
119.08579	29.1
120.08914	0.8
121.06505	2.0
121.10165	3.6
125.09621	0.9
127.03916	11.0
128.06253	0.9
129.06975	2.4
131.04921	1.3
131.08588	7.1
133.06493	1.3
133.10132	11.6
134.10495	0.6
135.08044	3.7
135.11700	1.6
137.09586	1.0
141.06996	1.1
143.08614	3.0
145.06500	2.3
145.10127	9.9
147.08060	2.7
147.11687	11.6
149.09613	1.7
155.08511	0.9
157.10132	4.7
159.08066	6.4
159.11702	13.3
160.08841	1.8
161.09583	2.6
161.13254	5.9
163.07523	0.9
163.11191	1.4
169.10139	2.6
171.11688	2.3
173.09602	1.8
173.13249	4.5
175.11238	1.9
177.09009	0.7
179.10660	0.8
183.11708	2.1
184.12378	0.6
184.16876	0.6
185.13268	1.2
187.11201	1.3
187.14804	1.2
189.12749	1.2
190.07758	0.9
193.12297	1.2
197.13203	2.1
201.12729	0.9
205.10114	1.6
207.13669	0.7
211.14836	0.9
215.08551	12.3
215.14325	1.1
215.17940	2.6
216.08850	1.4
218.07251	1.6
229.06575	1.0
233.09656	4.7
233.15503	3.0
239.17912	7.1
242.07364	3.1
243.08055	23.3
243.17438	1.2
244.08403	2.1
253.06383	0.7
253.15805	0.7
257.19055	9.8
258.19336	0.7
259.68286	0.7
261.09070	4.6
261.18460	0.7
265.10840	0.6
271.07538	13.7
271.16965	5.3
272.07834	1.3
289.08597	100.0
289.17993	42.4
289.21603	47.0
290.08881	9.1
290.18277	3.1
290.21924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
55.05514	14.2
57.03432	1.8
57.07071	1.7
59.01580	1.3
59.05000	1.0
65.27988	1.0
67.05502	13.7
69.03432	1.2
69.07072	7.5
71.60307	1.6
77.36526	1.1
79.05127	1.1
79.05504	12.7
81.03401	1.6
81.07058	21.6
83.04978	2.7
83.08602	4.3
85.02890	2.0
85.06534	2.6
91.05482	24.3
93.07054	14.6
95.04960	1.8
95.08614	17.6
97.06516	2.6
97.10162	3.5
99.08099	1.0
103.05454	1.9
105.07029	32.3
106.07353	1.4
107.04937	3.3
107.08588	9.0
109.02901	1.4
109.06513	2.9
109.10175	8.8
111.08087	1.8
115.05447	1.6
117.07019	8.4
119.08586	29.4
121.02846	1.6
121.06516	1.1
121.10139	6.5
123.08097	1.3
123.11737	1.6
125.09657	1.8
127.03934	16.8
129.07011	3.0
131.08563	9.7
132.09457	1.0
133.10136	24.3
135.08038	4.6
135.11685	4.0
137.06021	1.0
137.09575	2.7
143.08565	2.7
145.06448	3.2
145.10135	13.1
147.08026	2.7
147.11690	15.5
149.09691	1.7
149.13257	4.3
153.09082	3.6
155.08516	2.2
157.10144	3.8
159.08052	3.2
159.11713	8.9
161.09601	3.1
161.13266	4.8
163.07544	5.8
163.11165	1.6
163.14687	1.3
169.10155	1.9
171.11639	2.4
173.09628	2.9
173.13268	4.0
175.04500	1.5
175.11247	1.4
175.14899	1.3
182.30331	1.1
183.11703	1.6
185.13313	1.3
187.11203	1.9
189.16382	1.9
197.13229	2.7
205.10214	2.3
215.08549	10.2
215.17801	1.4
218.07405	1.5
233.09605	5.6
234.10085	1.3
239.17932	4.3
242.07350	2.8
243.08047	30.1
243.17441	1.9
244.08475	1.6
246.38930	1.3
257.19025	7.9
259.07230	1.1
261.09100	4.1
261.18582	1.4
271.07532	17.0
271.17010	6.0
271.24353	1.9
272.17087	1.4
289.08603	100.0
289.17999	26.9
289.21616	48.1
289.25073	5.1
290.08893	9.2
290.18298	2.1
290.21835	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01860	2.5
55.05518	1.7
56.96547	2.0
57.03416	1.0
67.01854	3.9
67.05502	3.7
69.03432	9.3
69.07065	3.4
71.04985	4.7
71.59163	0.9
73.02906	0.9
76.94260	0.9
78.49123	0.8
79.05492	2.7
81.03417	24.9
81.07048	4.2
83.01358	0.8
83.04951	0.9
83.08640	0.8
84.04510	1.6
85.02908	15.6
89.03916	1.0
90.26637	0.8
91.05482	4.1
93.07031	3.7
95.04937	2.0
95.08602	3.3
97.02882	7.2
97.06519	3.1
98.97576	1.0
99.03840	1.0
99.04452	15.5
103.03294	1.7
103.03938	20.0
104.80899	1.0
105.07027	4.3
107.04952	2.3
107.08572	3.1
109.02877	27.3
109.10150	2.6
111.04442	1.0
116.98607	1.3
117.03399	1.0
117.06960	0.9
119.04928	1.2
119.08584	1.8
121.06510	1.6
121.10133	2.1
127.03915	100.0
131.08577	1.7
133.06459	1.8
133.10110	1.4
135.04381	4.9
137.05974	2.4
139.03883	1.1
145.02872	1.9
145.04994	3.3
145.10071	1.7
147.04417	1.0
147.06792	1.0
147.08018	1.2
147.11757	1.2
149.05977	1.8
149.09555	1.1
149.13245	1.2
157.34726	0.8
158.99693	0.9
159.11751	0.9
161.13271	1.5
163.03902	13.1
169.04979	17.4
169.10103	1.1
173.13255	1.7
177.09087	1.5
187.05994	4.0
191.14360	1.5
196.81993	0.8
205.10173	1.4
215.08572	3.9
229.07059	4.2
233.09610	5.8
242.07307	1.8
243.08157	5.5
257.09378	1.0
261.05487	2.7
261.09152	2.8
271.07532	7.6
271.16888	1.6
273.14841	2.3
289.05383	6.6
289.08606	34.2
289.15192	1.8
289.18018	2.6
289.25198	1.9
290.08966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03932	1.7
55.01863	4.2
55.05269	1.1
55.05510	12.7
57.03438	14.3
63.83622	1.0
65.03924	1.5
67.05501	20.7
69.03417	1.7
69.07067	6.5
71.04993	2.1
71.60049	1.8
72.60653	1.1
73.19277	1.0
77.59409	1.0
77.70154	1.1
79.05056	1.8
79.05487	18.0
81.03419	2.6
81.07047	16.9
81.90927	1.1
83.04980	23.1
83.08607	4.0
85.02905	1.2
85.06544	2.1
91.05486	22.0
91.06054	0.8
93.07042	16.9
95.04984	6.4
95.08618	10.4
97.02889	1.3
97.06515	2.1
97.10165	3.5
99.04475	5.5
103.05451	1.5
105.07036	19.4
107.04957	16.8
107.08580	12.1
109.06519	8.1
109.10161	4.8
111.04434	9.1
111.08048	3.4
113.06014	1.8
117.07021	9.0
119.04919	1.5
119.08578	17.9
121.06510	4.5
121.10140	4.3
123.04454	1.2
123.08061	3.3
123.11724	2.7
125.05992	5.5
127.03911	18.9
128.06212	1.2
129.07031	3.6
131.08569	11.7
133.06482	7.5
133.10139	9.3
135.08032	9.0
135.11679	2.7
137.05899	1.5
137.09567	1.4
139.07527	2.1
141.06999	2.2
143.08542	5.3
145.06476	3.9
145.10101	9.2
147.08044	8.5
147.11696	4.3
149.06079	2.4
149.09627	2.3
149.13187	1.4
151.07506	2.6
153.09120	1.7
155.08540	4.9
157.10136	3.8
159.08057	7.6
159.11719	6.6
160.08754	1.4
161.06087	1.1
161.09615	6.6
161.13216	3.5
163.07626	2.4
163.11165	3.4
169.10109	3.4
171.11684	4.8
173.09598	3.6
173.13266	4.7
175.11086	1.3
177.09149	2.5
177.12759	5.8
178.13483	1.2
183.11772	2.3
185.09566	1.4
187.11200	2.7
187.14844	2.6
189.12579	1.1
197.13277	2.7
199.11153	1.5
201.16483	1.3
205.10143	3.0
205.15877	3.5
215.08540	11.6
215.14311	3.8
215.17944	2.2
215.53235	1.2
218.07260	1.3
225.16302	1.9
233.09708	6.0
233.15428	9.4
234.06862	1.5
242.07266	2.7
243.08054	28.7
243.10413	2.0
243.17494	5.1
244.08446	2.6
253.15834	2.3
257.18945	1.1
261.09076	4.7
261.18488	14.3
271.07523	16.1
271.16949	13.5
271.24066	1.1
289.08594	100.0
289.17984	71.8
289.21527	8.2
289.25238	3.7
290.08893	10.0
290.18228	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01863	1.0
55.05506	0.4
56.96572	0.7
57.03425	1.4
60.04517	0.4
61.02918	0.9
65.03934	0.6
67.01852	0.6
67.05503	0.8
68.99792	0.6
69.03429	2.7
69.07076	0.8
70.06577	0.5
71.01322	0.4
71.04999	2.8
71.58849	0.5
72.08143	1.2
73.02919	0.5
79.05480	0.8
81.03421	30.7
81.07056	0.6
83.01320	0.5
83.04966	0.7
84.04501	6.2
85.02910	11.8
85.06528	0.5
86.09721	0.7
86.95425	0.4
89.03918	0.4
91.05488	1.2
93.07017	0.4
95.04962	1.1
95.08616	0.4
97.02887	4.4
97.06537	1.5
98.06080	0.6
98.09824	0.3
99.04456	8.8
101.02373	0.4
103.03944	25.8
104.04273	0.4
105.07027	0.4
107.04960	1.1
109.02884	29.3
109.10136	0.4
110.03167	0.4
111.04437	2.6
116.98595	0.7
119.01903	0.6
119.08654	0.4
120.08144	0.6
121.06480	0.4
123.04441	2.9
123.08084	0.4
126.05541	2.0
127.03920	100.0
128.04256	1.7
130.06544	1.1
130.12248	0.4
131.08565	0.3
132.04408	0.7
135.04416	7.1
136.07614	0.9
137.05968	1.2
139.03906	3.9
145.04951	1.5
145.10184	0.4
145.12144	0.4
149.02301	0.4
149.05995	0.4
151.03876	2.0
152.04782	0.4
157.07634	2.1
158.06059	0.4
159.04488	0.4
163.03934	2.4
163.07669	0.4
164.07057	0.4
168.06612	0.9
169.04973	23.2
176.07098	0.4
179.70541	0.4
187.06084	2.6
187.07455	0.4
203.08197	0.6
211.13379	0.4
216.76158	0.3
225.06729	0.5
229.07036	4.8
243.08119	1.4
257.07449	0.4
261.07700	0.7
271.07587	1.8
271.10779	0.4
271.14340	1.0
272.07770	0.4
272.12875	1.2
289.03494	0.5
289.08884	6.1
289.11984	2.0
289.15079	3.6
289.18066	0.4
290.08755	1.9
299.65756	0.4
313.69730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03949	4.8
55.01870	1.9
56.05027	1.1
56.82280	0.7
56.96562	1.0
57.03419	1.5
60.36583	0.6
61.02917	0.9
67.05490	2.0
67.07147	0.7
67.91216	0.7
69.03430	8.8
69.07061	2.0
70.19048	2.0
70.19441	1.7
71.05005	3.5
72.12110	0.8
73.02917	0.8
79.05499	2.1
81.03419	31.1
81.07057	2.6
81.09286	0.7
82.02797	0.7
83.04965	0.7
84.04517	6.2
85.02902	14.8
91.05483	3.2
93.07056	1.4
95.04962	2.3
95.08634	1.0
97.02911	6.8
97.06525	5.7
99.04452	15.4
103.03944	24.3
105.07024	1.1
107.04959	0.9
107.08612	1.0
108.04509	0.8
109.02882	28.2
109.06519	1.1
111.04486	1.0
119.01935	2.8
119.08608	1.3
121.06494	0.9
121.10126	1.7
123.04411	1.2
126.05505	0.9
127.03919	100.0
131.08528	1.4
133.06491	1.0
133.10161	1.2
135.04434	2.1
137.05965	2.2
139.03818	1.2
140.07037	0.9
145.04950	3.8
145.10143	1.7
146.12929	0.8
147.11691	0.9
148.07532	0.9
149.06017	6.1
149.08359	2.2
149.09547	1.6
151.03906	0.9
151.11237	1.1
155.08443	0.8
157.10135	1.0
159.11711	1.2
161.02910	1.3
162.69582	0.9
169.04979	18.2
169.06371	1.3
169.10172	1.0
173.09599	0.9
173.13228	1.3
175.08795	0.9
176.07115	1.2
177.07869	2.4
183.11667	0.7
187.06020	4.8
187.11197	1.0
189.09152	1.0
191.10750	1.1
215.08530	1.7
226.12300	3.3
228.13953	0.8
229.07071	2.7
243.08096	3.0
243.15073	0.9
271.07846	1.8
271.10757	1.0
271.16907	2.4
272.12823	3.1
289.05746	0.9
289.08685	11.6
289.11508	1.4
289.15042	6.0
289.18335	6.5
290.08722	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	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03944	3.9
53.27351	0.5
55.01861	1.4
56.96555	0.5
57.03433	1.4
60.01678	0.5
60.04515	0.5
61.02919	1.1
65.03930	0.5
67.01842	0.5
67.05495	0.6
68.99801	0.7
69.03424	3.2
70.06577	1.0
71.04986	2.0
71.25421	1.3
72.08157	0.4
73.02904	0.5
75.83196	0.4
79.05499	0.6
81.03415	30.4
81.07053	0.5
84.04507	5.4
85.02426	0.8
85.02905	12.2
85.06524	0.6
86.09714	0.6
87.04416	0.5
91.05493	0.7
97.02884	4.7
97.06518	1.0
98.97592	0.6
99.04452	7.4
102.83280	0.4
103.03941	22.1
105.06924	0.6
107.04971	1.5
107.08587	0.5
109.02877	30.3
109.10150	0.7
110.03204	0.6
111.04430	2.6
123.04436	3.5
126.05481	2.3
127.03912	100.0
128.04292	1.0
130.06561	0.9
131.04890	0.5
135.04402	7.3
136.07610	0.9
137.05925	0.9
139.03903	3.5
141.12271	0.5
145.04987	1.7
147.04407	0.8
149.02393	0.6
151.03911	2.0
153.01759	0.6
157.07617	1.5
158.06075	0.6
163.03908	2.0
164.07143	0.6
169.04964	22.9
170.05354	0.8
175.08685	0.8
176.07156	0.8
187.06013	1.9
203.08279	1.1
215.08670	0.6
225.06613	1.1
229.07031	4.3
243.08224	0.8
243.11433	0.6
243.14775	0.7
271.07300	1.8
271.10553	1.0
271.14243	0.7
272.07254	0.6
272.12946	0.5
289.08545	7.4
289.11884	1.5
289.15482	1.4
290.08719	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	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
51.64232	0.8
52.06051	0.9
53.03946	7.8
53.05941	0.9
55.01872	1.1
55.05510	2.8
56.96558	2.7
57.03438	3.1
57.07094	0.9
59.52578	0.8
61.02922	1.4
63.55046	0.8
67.05502	3.0
69.03429	27.0
69.07064	3.3
71.04991	7.9
71.59341	1.7
72.08159	2.1
73.02914	3.0
79.05497	3.6
81.03417	25.1
81.07059	4.3
82.54036	0.8
83.01368	1.0
83.04981	1.9
84.04514	2.7
85.02905	37.3
85.06547	1.4
87.04476	1.3
91.05489	3.8
93.07047	3.7
95.04974	1.7
95.08613	2.8
97.02895	21.9
97.06520	4.3
98.97586	3.1
99.04453	41.3
103.03944	34.9
103.05441	1.2
105.06995	1.9
107.04961	1.7
107.08593	3.5
109.02128	1.3
109.02884	25.9
109.06540	1.2
109.10169	1.6
114.09149	2.1
116.98616	3.0
119.04961	1.0
119.08577	2.1
121.06496	1.5
121.10123	2.0
123.11727	1.2
127.03917	100.0
128.04242	1.0
131.08571	1.4
133.06493	2.3
133.10129	1.9
134.99681	2.1
135.04414	1.8
135.11749	0.9
137.06004	5.2
137.09634	1.1
139.03925	1.0
143.08588	1.0
145.04959	13.7
145.10130	2.4
147.04344	0.8
147.11673	2.4
149.09520	1.0
149.13257	1.1
151.04039	1.1
159.08052	1.4
159.11674	2.2
161.13228	0.9
163.03951	2.1
163.07579	1.0
163.11127	1.1
164.07053	1.7
164.51526	0.9
168.06543	0.9
169.04993	2.4
170.48796	0.8
173.09595	1.0
176.02739	1.0
176.14317	1.1
177.00714	1.4
187.06013	13.9
191.02263	1.0
191.14348	2.6
205.06602	1.1
215.08698	1.6
229.12096	1.0
233.06078	3.0
243.08008	2.0
244.99776	1.0
248.08127	1.1
253.07339	1.3
260.59775	0.9
261.05490	5.5
271.08054	2.4
271.17035	1.9
277.60156	1.0
280.14429	1.0
289.04999	16.6
289.08609	6.7
289.15213	3.1
289.18033	3.8
289.22733	4.5
289.25439	1.3
290.08691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32679	0.4
66.06962	0.3
70.84427	1.0
78.15194	0.4
105.06976	0.3
105.79550	0.3
108.09020	0.3
117.07882	0.3
121.02828	0.4
134.93390	0.3
167.05000	0.6
190.07681	0.8
202.07727	0.4
203.08490	0.4
204.09306	0.4
205.10185	2.0
214.07748	0.6
215.08560	8.3
218.07254	1.5
219.08047	0.6
226.07733	1.2
226.47017	0.3
229.06410	0.4
231.08150	0.5
233.09612	12.7
234.09949	0.7
235.07558	0.5
237.29152	0.4
242.07245	4.0
243.08052	7.9
246.06851	0.5
247.07480	0.4
260.08246	0.5
261.09125	1.5
271.07513	8.3
272.07861	0.5
289.08588	100.0
289.28491	0.7
290.08954	5.9
302.70862	0.4
302.82111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0858
Annotation	Irenolone
Peak:m/z	Relative Intensity
51.23967	0.4
51.67796	0.5
71.03680	0.9
72.73405	0.4
116.43396	0.4
154.23630	0.5
173.99413	0.5
189.07199	0.5
190.07768	1.6
203.08426	0.6
205.10092	2.5
215.08557	11.1
216.08913	0.7
218.07281	1.6
219.08078	0.6
225.06966	0.6
226.07713	0.9
229.06621	0.8
232.08951	0.5
233.09625	6.1
242.07234	3.5
243.08060	37.8
244.08397	2.1
245.05296	0.4
247.07567	1.4
253.06499	0.8
259.07349	0.6
261.09131	6.1
266.56586	0.5
271.07541	20.9
272.07877	1.1
285.84363	0.4
289.08591	100.0
290.08939	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	289.0859
Annotation	Irenolone
Peak:m/z	Relative Intensity
53.97483	0.2
55.01868	0.3
67.05499	0.7
69.07083	0.4
70.00357	0.2
70.22865	0.3
70.23234	0.6
73.81712	0.1
79.05508	0.2
81.03394	0.4
81.07043	0.3
83.04959	0.2
91.05474	0.5
93.07014	0.2
95.08591	0.2
95.56752	0.1
98.21474	0.2
105.07018	0.2
107.08583	0.3
109.02872	0.6
109.10150	0.2
119.04907	0.2
119.08562	0.3
121.02876	0.5
127.03919	2.2
137.05968	1.2
139.05486	0.2
146.97757	0.2
167.04933	0.6
189.07005	0.7
190.07846	1.0
191.08504	0.3
198.37195	0.2
203.08601	0.8
204.09363	0.2
205.10124	2.0
206.10770	0.2
214.07809	0.6
215.08560	8.8
216.08980	0.6
218.07307	1.4
219.07968	0.3
225.07076	0.2
226.07811	0.9
229.06587	0.3
229.08655	0.8
231.08003	0.5
232.08791	0.4
233.09622	15.5
234.10042	0.5
235.07475	0.4
242.07266	3.8
243.05536	0.4
243.08057	8.7
244.08527	0.5
247.07617	0.8
251.45558	0.2
260.08383	0.4
261.05966	0.2
261.09113	3.0
262.09491	0.3
270.06924	0.2
271.07550	10.6
272.07901	0.8
273.14828	1.1
289.08591	100.0
290.08936	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	289.0856
Annotation	Irenolone
Peak:m/z	Relative Intensity
51.17368	0.2
55.01862	0.6
55.05495	0.6
56.96548	0.3
57.03430	0.2
57.07074	0.4
61.02920	0.3
67.05494	0.9
69.03426	0.7
69.07068	1.2
69.48248	0.3
69.48653	1.4
70.94070	0.2
71.04987	0.3
73.02891	0.3
76.24808	0.2
79.05492	0.8
81.03424	1.5
81.07063	1.2
83.04979	0.2
83.08627	0.5
85.02907	1.0
91.03977	0.2
91.05480	1.1
93.07057	1.0
95.04958	0.5
95.08600	0.8
97.02872	0.5
97.06521	0.6
97.93649	0.2
98.20817	0.4
99.04443	0.7
103.03916	0.7
105.07031	0.9
107.04970	0.3
107.08585	0.8
109.02879	0.8
109.06525	0.2
109.10168	0.7
116.98611	0.4
119.04961	0.4
119.08585	1.1
121.06466	0.3
121.10135	0.3
123.08044	0.2
125.09571	0.2
127.03912	6.6
131.08572	0.4
133.06476	0.2
133.10110	0.5
135.04442	0.5
135.08112	0.5
135.11647	0.3
137.05978	1.0
145.04927	0.4
145.10179	0.5
147.04419	0.2
147.11626	0.4
149.13260	0.3
150.05513	0.2
151.06281	0.3
159.08075	0.5
159.11694	0.5
159.41261	0.2
161.09669	0.3
161.13225	0.3
167.04868	0.2
168.05692	0.4
169.04974	0.4
175.07535	0.3
189.06929	0.3
190.07823	1.1
191.08540	0.5
193.08690	0.3
202.07828	0.3
203.08536	0.6
204.09290	0.3
205.10123	2.0
213.06993	0.2
214.07700	0.4
215.08571	10.5
216.08919	0.4
218.07272	2.2
219.08044	0.5
221.05968	0.2
226.07751	0.9
229.06384	0.2
229.12021	0.3
231.07999	0.6
232.08710	0.4
233.06061	0.2
233.09601	5.4
233.11739	0.4
234.06795	0.6
242.07277	2.9
243.08055	33.2
244.08443	1.6
247.07527	1.4
253.06459	0.5
255.08011	0.4
257.06073	0.5
259.07684	0.6
261.09097	5.6
271.07538	18.3
271.17007	0.5
272.08008	1.4
273.14868	0.9
275.07123	0.3
285.10068	0.3
287.07172	0.3
289.08582	100.0
289.25183	0.8
290.08865	5.6
291.26913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90361	0.9
56.05033	1.3
56.96563	2.9
58.99844	1.3
61.02927	1.4
69.03413	2.2
69.07084	1.0
70.06586	7.1
71.06937	1.8
71.56967	1.4
71.79096	0.9
72.08135	1.2
73.02914	1.4
74.06061	1.8
77.00909	1.9
81.03398	2.0
82.99870	2.1
83.01316	1.0
83.06091	1.7
84.08140	6.2
85.02910	3.5
86.09675	1.6
88.03999	2.2
93.07038	1.1
97.02864	1.7
98.06029	1.2
99.04446	1.1
100.07632	1.6
101.00880	15.9
107.04951	8.2
109.02854	2.4
110.06010	1.2
113.00853	1.7
115.02426	6.8
116.07099	6.7
117.07407	3.4
119.01922	100.0
120.02028	2.3
121.06475	3.2
127.03916	9.5
127.04875	1.5
129.03989	2.3
131.01920	11.4
132.35251	1.0
133.03477	30.3
137.02960	34.4
137.04019	1.9
142.03487	2.7
143.01866	8.1
144.99823	3.1
145.03461	5.8
147.01389	7.3
147.04996	4.3
149.02957	3.7
151.04509	7.2
152.05669	8.1
155.01872	1.4
156.05064	1.5
157.03484	2.9
159.01418	1.8
161.02962	35.8
163.04515	2.0
165.02400	1.4
168.06554	1.7
168.99811	4.2
171.01385	6.4
172.04134	0.9
173.02954	7.5
175.00859	2.6
175.04514	3.4
177.02411	1.8
178.04851	1.4
179.03995	3.8
184.04561	1.2
185.02954	4.3
187.00873	17.8
187.04488	3.8
189.02432	13.3
191.04019	10.8
193.01987	1.4
196.95062	1.2
196.99229	2.0
199.00864	11.4
200.00801	1.1
201.02490	3.4
203.03960	3.7
205.01990	8.9
205.05537	1.4
207.03476	5.9
210.02498	2.2
214.05669	1.1
215.00359	16.5
217.01959	28.7
217.05637	1.6
219.03519	12.0
221.05002	2.1
223.02995	1.7
226.05386	2.6
229.01982	5.6
231.03571	2.2
233.01285	1.7
235.03099	4.8
238.02000	2.4
240.03500	3.4
243.08023	2.3
247.02991	22.1
259.03009	1.8
265.04028	9.2
270.04501	1.7
272.78857	1.1
277.03995	2.2
289.04062	13.9
289.08890	12.2
289.11716	1.7
289.15262	2.5
289.20630	1.6
307.05176	21.4
307.08585	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	287.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.6
57.07064	1.2
58.06614	0.5
71.08614	0.5
71.43491	0.4
72.08150	4.2
81.07039	0.7
90.09200	3.0
91.68980	0.4
93.07064	0.6
95.08615	0.6
96.90681	0.4
105.07007	0.5
107.08596	0.4
109.10130	0.8
119.08608	0.8
133.10139	0.5
153.01840	0.5
171.11493	0.4
190.81847	0.4
202.07753	4.3
203.08578	2.4
213.06999	1.9
231.08086	2.1
241.06459	0.9
242.07343	1.6
258.06781	8.7
259.07550	75.2
260.07932	1.8
269.05960	1.2
273.05371	0.5
286.27744	0.4
286.28467	0.3
286.31039	16.4
287.07083	100.0
287.31409	7.6
287.34595	0.4
288.07538	2.9
301.05051	1.2
302.96463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1067
Annotation	Benzo[a]pyrene-cis-4,5-dihydrodiol
Peak:m/z	Relative Intensity
57.07073	0.9
63.07841	0.4
67.05495	1.0
69.07049	0.5
69.38706	1.3
69.39126	2.8
70.83611	0.4
81.07055	1.0
91.05468	0.5
93.07037	0.4
95.08604	1.0
105.07028	0.5
107.08560	0.5
109.10104	0.4
121.06454	0.7
127.40736	0.4
153.01852	0.7
177.74411	0.5
196.67929	0.4
202.07721	0.8
203.08589	1.0
215.08557	1.4
216.09387	1.2
226.07765	0.8
227.08727	0.5
231.25047	0.9
239.08530	0.7
242.07172	0.8
243.08049	0.8
244.08827	1.9
255.08142	1.2
257.09586	0.5
258.06793	1.4
259.07556	15.2
259.10397	0.9
260.07834	1.1
269.09583	1.4
271.07550	65.4
272.08023	4.3
286.31039	1.3
287.07108	17.2
287.10611	100.0
287.31412	6.2
288.07559	1.1
288.10977	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	288.1595
Annotation	Zephyramine
Peak:m/z	Relative Intensity
55.01870	1.1
55.05495	1.6
55.95318	0.7
56.96562	3.6
59.78789	0.8
67.05505	3.9
69.03416	2.1
69.07076	4.6
69.60197	6.1
70.06567	0.8
71.04971	1.2
79.05466	1.8
81.03392	2.5
81.07065	2.4
83.04981	1.1
83.08575	0.9
85.02895	2.3
87.09297	0.8
87.59323	0.8
88.07603	0.8
91.05462	2.1
93.07033	2.4
94.06554	1.1
95.07352	1.2
95.08592	3.4
97.06521	3.1
98.21481	1.7
98.97582	2.5
99.04473	1.6
103.03951	1.0
105.07040	2.4
106.06518	1.0
107.04955	1.3
107.08603	1.7
109.02847	2.5
109.06555	0.9
109.10168	1.4
116.98626	1.4
119.08618	0.9
120.89565	0.8
122.06046	4.1
123.04389	1.4
123.06807	3.3
127.03917	10.3
134.06042	1.2
134.99635	1.1
135.04424	1.3
137.05966	1.6
137.83946	0.8
145.83925	0.8
150.05461	3.9
151.06308	9.1
152.06969	1.2
154.23277	0.8
161.01239	1.1
162.05553	1.2
162.09154	28.6
163.03912	1.0
163.09953	5.5
176.07068	2.2
188.10739	2.0
190.08620	2.4
191.09413	31.5
192.10190	28.7
237.02786	1.6
243.08160	2.6
270.15027	4.1
275.07086	4.8
276.07190	1.2
280.87210	0.9
288.15958	100.0
289.08539	9.0
289.16278	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	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18070	0.1
53.03940	0.2
55.05490	0.4
56.78102	0.1
56.96553	0.5
65.03930	0.3
67.01868	0.2
67.05496	0.6
68.99793	1.7
69.03422	0.5
69.07057	0.6
70.91682	0.3
70.92023	0.2
73.02964	0.2
79.05506	0.9
81.03407	0.6
81.07081	0.9
83.04974	0.5
83.08635	0.2
84.08163	0.2
85.02896	0.4
85.06528	0.3
86.09705	0.2
91.05469	0.5
93.07038	0.4
95.04968	0.5
95.08604	0.6
97.02892	0.6
97.06544	0.4
98.97584	0.5
99.04444	0.3
103.05497	0.3
105.03389	0.5
105.07030	0.5
107.04948	0.9
107.08604	0.7
109.02872	0.8
109.10146	0.5
111.00813	1.4
111.04427	0.5
115.05440	0.2
116.98582	0.4
117.07027	0.3
119.04952	0.2
119.08557	0.4
121.02878	5.6
121.06503	0.4
121.10136	0.4
123.08056	0.2
123.11712	0.3
125.02337	0.2
127.03910	0.6
128.06163	0.2
129.06998	0.6
131.04948	0.2
131.08531	0.1
133.02805	0.7
133.10139	0.3
134.99599	0.3
135.04387	0.5
135.08049	0.2
135.11659	0.2
136.07570	0.2
137.02353	2.3
137.06020	0.2
139.05397	0.1
141.07040	0.3
145.06471	0.7
147.04414	1.4
149.02362	0.2
149.13264	0.3
151.03806	0.3
153.01833	8.7
157.06471	1.0
157.10161	0.2
159.11659	0.2
161.05966	0.3
161.13283	0.1
163.03860	0.2
165.00551	0.2
165.01865	3.1
171.03009	0.2
171.04361	0.7
177.00735	0.2
183.02902	1.8
184.05135	0.2
185.05995	1.0
189.05550	0.3
197.05978	0.3
199.04309	0.2
203.07062	0.2
205.19493	0.2
213.05484	3.0
229.05052	0.2
231.06487	1.1
241.04974	1.5
243.06508	0.2
258.05283	2.2
259.05984	0.9
269.22610	0.2
287.05511	100.0
287.23758	0.5
288.05838	3.5
288.16190	0.3
292.08545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Cyanidin
Peak:m/z	Relative Intensity
50.68404	0.2
55.05513	0.2
58.14825	0.2
65.03939	0.3
67.01841	0.2
67.05502	0.3
68.99782	1.9
69.03419	0.4
71.50343	0.2
71.51033	0.3
75.68243	0.2
79.05470	0.6
81.03409	0.4
81.07011	0.3
83.04980	0.3
86.28816	0.2
91.05463	0.5
93.07063	0.2
97.02889	0.3
97.06521	0.2
98.97567	0.2
103.05464	0.3
105.03403	0.6
105.07022	0.2
107.04944	1.1
107.08617	0.3
109.02885	0.7
111.00829	1.4
111.04449	0.3
115.05507	0.2
121.02872	6.2
121.06485	0.2
125.09597	0.5
129.07018	0.2
133.02852	0.9
135.04404	0.4
136.07600	0.3
137.02341	1.7
137.06020	0.2
141.07022	0.3
145.06523	0.6
147.04379	1.2
151.03870	0.3
153.01826	9.0
157.06505	1.3
161.05991	0.4
164.07062	0.3
165.01831	3.4
171.04408	0.7
183.02901	2.0
185.05939	1.3
189.05536	0.2
199.03909	0.3
203.06932	0.2
213.05446	2.4
229.04958	0.3
230.86017	0.2
231.06491	1.4
241.04979	1.5
257.04742	0.2
258.05273	2.0
259.06021	0.6
269.04459	0.3
269.12662	0.2
287.05493	100.0
288.02612	0.2
288.05823	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	287.0549
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03935	0.4
55.01855	0.3
55.05521	0.2
56.96560	0.3
57.03421	0.2
65.03933	0.3
67.01839	0.2
67.05493	0.2
68.99788	1.6
69.03428	0.5
69.07062	0.4
70.26437	0.6
71.01345	0.3
71.16361	0.1
73.02899	0.2
79.05486	0.6
81.03400	0.5
81.07053	0.2
83.04974	0.3
85.02893	0.2
87.04431	0.2
93.07004	0.2
95.04958	0.3
95.20194	0.1
97.02877	0.8
97.06523	0.2
98.97543	0.2
99.04453	1.1
105.03397	0.8
105.07019	0.2
105.58941	0.1
107.04947	1.0
109.02878	1.4
109.10104	0.1
111.00819	1.3
111.04438	0.5
112.02708	0.2
115.03933	0.7
117.06966	0.2
119.08534	0.2
121.02867	5.5
121.06450	0.3
125.06030	0.2
127.03912	2.7
129.06993	0.3
133.01952	0.2
133.02806	0.8
133.06494	0.1
133.10039	0.2
135.04405	0.3
137.02342	1.6
141.06993	0.3
145.06477	0.4
147.04401	1.1
151.03770	0.1
153.01833	8.8
154.02196	0.2
157.06461	1.0
157.10042	0.1
161.02327	0.2
161.04480	0.3
161.05948	0.6
165.01833	3.3
171.02992	0.2
171.04442	0.6
183.02890	1.5
185.05910	0.9
189.05568	0.3
197.05969	0.2
203.07112	0.3
213.05482	2.7
217.05081	0.2
229.04967	0.2
231.06535	1.5
241.04930	1.1
242.05777	0.1
243.06570	0.1
245.04564	0.2
248.99313	0.1
258.05283	2.2
259.06030	0.9
269.04459	0.4
287.05493	100.0
288.05823	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	286.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51994	0.5
55.01887	0.6
55.05530	0.6
56.05046	0.9
56.96553	1.2
57.03441	1.1
57.07073	0.8
61.02929	3.6
62.56661	0.5
68.05025	1.1
69.03415	1.0
69.81326	0.5
70.06592	98.7
70.17036	1.1
70.17459	1.6
71.01369	0.6
71.04987	2.1
71.06902	0.7
71.12196	0.5
72.08159	0.9
73.02922	0.7
79.05488	1.2
80.05036	0.7
81.07057	6.8
82.05311	0.9
83.06106	5.5
84.04504	1.3
84.08176	0.6
85.02914	1.8
87.08115	0.9
88.03993	0.6
91.05502	1.0
93.04514	2.4
95.06104	7.3
97.02869	1.3
106.06535	0.7
107.06096	1.0
109.05151	3.1
110.03516	0.6
110.07163	53.2
111.05545	1.0
112.07604	100.0
113.07974	0.6
116.07074	1.1
116.98610	0.6
119.03558	0.6
121.05110	0.7
121.07625	0.7
124.03965	2.8
124.07571	1.4
125.04645	0.8
126.07780	6.8
127.06165	1.9
129.06548	0.8
130.05023	0.8
135.04419	0.5
136.06157	3.6
137.04599	8.5
138.07759	2.2
140.07065	71.7
146.04079	0.6
147.07628	1.9
150.05562	0.6
151.12321	0.8
154.07236	28.6
155.05690	0.9
156.07683	7.6
157.09698	5.1
163.12306	29.9
165.07823	1.5
166.03230	1.9
166.06088	0.9
166.07310	0.7
178.07240	0.6
181.03314	0.5
183.29622	0.6
190.13408	5.0
193.13461	0.7
196.08308	0.9
198.05730	0.6
208.14467	6.1
219.11272	1.6
236.13927	5.7
240.10219	0.7
240.13391	1.4
240.17081	4.9
241.15361	0.6
254.15005	13.5
268.10303	1.5
268.12921	0.8
268.15506	0.7
286.11398	6.8
286.14203	3.9
286.17606	48.4
287.05533	1.6
287.10840	5.0
287.17764	0.9
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	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01861	0.4
55.05511	0.4
56.96552	0.4
57.03432	0.5
61.97347	0.2
65.03931	0.3
67.01867	0.2
67.05490	0.8
68.99796	1.5
69.03414	1.1
69.07065	0.6
70.27981	0.2
71.01355	0.2
71.04980	0.4
71.59010	0.2
71.59438	0.4
73.02908	0.3
79.05500	1.0
79.28352	0.2
81.03406	1.0
81.07038	0.7
82.03755	0.3
82.74356	0.2
83.04986	0.5
83.08622	0.4
85.02909	1.5
85.06531	0.3
85.84104	0.1
86.03297	0.2
89.90053	0.2
91.05474	0.9
93.07029	0.6
95.04961	0.8
95.08595	0.6
97.02884	0.5
97.06527	0.4
97.85635	0.2
98.21627	0.2
98.97584	0.4
99.04441	0.3
103.05458	0.2
105.03392	0.8
105.07020	1.0
106.07332	0.5
107.01286	0.2
107.04960	1.2
107.08605	0.5
109.02904	1.0
109.06502	0.2
109.10126	0.4
110.24205	0.2
111.00804	1.1
111.04420	0.4
111.08074	0.2
115.05459	0.3
116.98615	0.4
117.06956	0.2
119.01888	0.3
119.04935	0.3
119.08556	0.5
121.02875	5.7
121.06522	0.5
121.10165	0.2
123.08037	0.2
125.09647	0.3
127.03924	0.6
129.07004	0.3
131.08560	0.3
132.45340	0.2
133.02850	0.7
133.10139	0.4
134.99652	0.3
135.04454	0.3
135.08008	0.3
135.11638	0.3
136.07574	0.6
137.02319	1.7
137.06007	0.2
137.09647	0.2
143.77345	0.2
145.06462	0.6
145.10197	0.5
147.04388	1.2
147.08051	0.3
149.09633	0.2
151.03871	0.3
153.01834	9.5
157.06535	1.0
157.10059	0.2
161.05971	0.5
164.07089	0.5
165.01836	3.2
166.02525	0.2
166.63565	0.2
171.04433	0.6
171.11751	0.2
175.03963	0.3
177.05391	0.2
183.02902	1.8
185.05998	0.8
189.05472	0.3
192.10211	0.2
193.12225	0.3
193.16025	0.2
194.12491	0.2
195.12804	0.3
197.05951	0.3
203.07068	0.3
213.05476	3.0
213.13980	0.3
218.08167	0.4
229.04985	0.3
231.06534	1.4
237.02792	0.4
241.04970	1.8
247.12033	0.3
258.05286	2.0
259.05939	0.9
269.04413	0.7
269.12772	0.6
286.60791	0.2
287.05502	100.0
288.05859	3.2
288.15942	0.4
303.05038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.9
56.05043	0.9
56.96558	0.8
57.03432	1.6
59.05003	2.1
61.02927	5.4
63.46513	0.7
68.05042	1.2
69.03411	0.8
69.93642	3.8
70.06593	98.8
71.04996	4.6
71.06924	1.4
72.08163	0.8
79.05481	1.8
81.04520	0.8
81.07059	8.3
82.05316	1.8
83.06108	8.1
84.04489	1.6
85.02892	1.6
87.08095	1.6
88.22233	0.7
91.05521	0.6
93.04553	4.4
94.06526	0.8
95.06090	12.3
97.02908	0.7
98.97581	1.1
107.06090	2.0
109.05112	1.3
109.07648	0.8
110.07167	83.7
111.05557	1.4
111.07453	0.8
112.07607	100.0
112.08807	2.8
113.07942	1.4
119.06061	0.7
120.05622	0.6
121.07613	1.4
124.03951	2.5
126.07753	2.9
130.08636	0.6
136.06194	1.6
136.11223	0.9
137.04610	3.5
140.07063	72.7
141.07399	2.0
153.04105	3.6
154.04414	2.5
154.07228	11.8
156.06401	1.0
156.07684	13.0
156.08911	1.0
157.09717	5.4
161.02950	1.0
163.12308	48.7
164.12709	1.5
166.03267	1.2
166.06134	1.8
182.09395	0.7
185.09233	1.0
190.13347	8.2
193.13449	1.5
195.08150	0.8
208.14438	10.9
209.12880	1.0
210.15977	1.0
214.35725	0.7
219.11319	2.5
236.13930	8.0
240.13365	1.1
240.17111	7.6
241.15691	0.7
242.18687	0.8
254.15012	20.0
268.12955	0.9
268.16275	1.0
275.84778	0.7
286.11752	3.8
286.14310	4.5
286.17612	80.3
287.05634	0.8
287.10962	7.6
287.17889	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03945	3.7
55.01872	3.5
55.05508	10.1
55.30835	1.1
56.96553	4.1
57.03438	11.7
65.03928	2.1
67.05506	19.2
68.67748	1.1
69.03415	4.2
69.07066	7.1
71.04993	2.5
71.59095	2.1
79.05492	16.7
81.03419	100.0
81.07059	22.4
83.04983	7.2
83.08624	25.8
83.61535	1.2
84.90742	1.2
85.02908	9.9
85.06528	2.4
91.05479	24.2
93.07044	12.5
95.04973	28.5
95.08605	10.4
97.02885	2.8
97.06526	7.4
97.10171	1.4
98.97606	2.4
99.04458	1.2
99.08073	2.1
100.63382	1.2
105.07027	15.1
107.04956	5.7
107.08585	9.0
109.02901	2.2
109.06519	4.3
109.10142	4.2
111.04426	1.6
111.08086	12.7
113.05995	1.2
115.05496	1.4
116.98650	1.8
117.07024	3.0
119.08582	16.3
121.06493	2.8
121.10133	9.8
123.08058	5.2
123.11692	4.4
128.06239	1.5
129.07016	9.2
131.08553	8.6
133.06516	3.7
133.10147	7.5
134.99673	2.3
135.11763	1.9
137.05916	1.3
137.09604	2.7
142.07813	1.9
145.10133	3.7
147.08075	3.1
147.11670	13.3
149.02318	1.2
149.09630	6.1
149.13231	1.3
155.08632	1.4
157.10124	12.1
159.11668	2.4
161.01222	3.2
161.06075	1.9
165.12811	5.2
169.10179	1.7
171.11768	2.1
175.07640	1.5
175.11192	14.2
175.14761	1.5
183.11656	1.3
187.07527	2.1
189.09077	1.3
193.12245	63.9
197.13377	1.6
199.14909	1.9
211.13295	12.6
219.01849	1.2
225.09085	1.8
237.09332	1.2
241.12169	3.6
257.03635	1.1
263.10223	2.0
267.13806	1.8
267.16031	18.0
268.10916	1.7
285.04163	2.2
285.11929	3.0
285.14474	2.1
285.17145	16.4
285.22208	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03944	2.0
55.01861	2.1
55.05512	6.8
56.96572	2.1
57.03428	5.1
67.05167	1.0
67.05502	12.4
69.03428	3.9
69.07075	3.6
70.40726	2.2
71.01361	0.9
71.04990	2.1
75.04493	0.8
78.94730	0.6
79.05490	11.9
81.03417	100.0
81.07056	12.0
83.04978	6.1
83.08617	20.2
85.02904	4.7
85.06548	1.3
87.22572	0.6
91.05475	16.3
93.07047	8.5
95.04358	1.6
95.04967	26.9
95.08623	4.6
97.02889	2.1
97.06543	2.8
97.10181	1.3
98.97585	1.1
105.07022	12.2
107.04963	7.0
107.08597	3.8
109.02876	0.6
109.06518	3.3
109.10168	2.1
111.04450	1.8
111.08083	11.5
112.52283	0.6
113.06027	0.8
115.05501	1.2
116.98652	1.7
117.07011	1.6
119.05011	1.0
119.08584	12.0
121.06524	2.0
121.10126	5.6
123.08019	1.1
123.11702	0.7
128.06131	0.7
129.06999	6.6
131.04970	0.8
131.08557	6.1
133.06517	2.5
133.10120	5.0
134.99677	0.7
135.11678	1.0
137.06017	0.7
137.09637	2.4
142.07796	1.8
147.08092	2.5
147.11696	7.2
149.09622	4.0
149.27203	0.7
155.08585	0.8
157.10129	9.6
163.11093	0.8
165.12766	2.6
175.11179	11.7
179.98944	0.6
184.07246	0.7
189.16360	0.9
193.12241	55.7
194.12415	0.8
197.44766	0.6
203.02321	0.7
205.85277	0.7
211.13283	9.6
211.15005	0.9
238.09709	0.7
249.14995	0.9
259.09662	0.6
267.11462	1.1
267.13367	1.1
267.15939	16.1
285.07690	0.9
285.12122	2.0
285.17026	5.4
285.21967	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14874	0.6
53.03952	2.1
55.01854	1.9
55.05505	9.5
56.96563	1.4
57.03440	7.8
60.11933	0.6
65.03951	1.4
67.05503	14.6
69.03419	3.3
69.07068	4.0
70.06577	1.0
70.76556	2.1
71.04987	2.6
71.08620	0.6
73.32767	0.6
75.04483	0.7
79.05493	11.9
81.03416	100.0
81.07062	14.7
83.04975	6.7
83.08615	20.8
84.96075	0.8
85.02905	8.8
85.06553	0.8
91.05479	15.9
93.07036	8.1
95.04967	33.7
95.08602	4.4
97.02891	2.7
97.06538	2.7
97.10194	1.2
98.97592	1.4
99.04456	0.9
99.08083	0.9
105.07034	12.7
107.04956	6.3
107.08578	4.3
109.02917	0.8
109.06522	4.1
109.07207	0.9
109.10152	2.1
111.04439	2.9
111.08078	11.9
113.05986	1.0
115.05486	1.1
117.07032	1.3
119.04972	0.7
119.08581	13.1
121.06534	2.2
121.10126	6.0
123.08077	1.9
123.11707	1.3
125.09665	0.6
128.06241	0.9
129.07002	7.0
131.08571	7.8
133.06519	2.8
133.10107	5.4
137.09631	2.1
142.07799	2.9
145.10176	1.4
147.08070	2.4
147.11696	8.7
149.09613	4.0
151.11238	1.1
157.10117	11.9
157.11307	1.1
159.08081	0.6
163.03932	0.9
163.11099	1.0
165.12753	3.4
173.06015	0.7
175.11174	14.1
193.12242	64.6
198.00668	0.6
200.33780	0.7
201.05504	0.7
208.55017	0.7
209.01334	0.7
211.13309	14.0
229.04968	1.5
249.14955	0.6
257.04620	1.5
263.06888	0.7
267.15918	19.5
285.03894	6.6
285.12460	1.5
285.13776	1.0
285.16995	13.9
285.21692	1.2
286.04376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70141	1.3
53.03950	3.7
55.01869	2.7
55.05515	7.1
57.03432	4.6
58.89612	1.0
65.03944	1.2
67.05503	10.2
69.03432	3.4
69.07076	3.5
70.06593	3.5
70.72948	2.0
70.73339	2.0
71.04997	3.0
74.53377	1.0
79.05502	10.5
79.78333	1.0
80.02039	1.0
80.10866	1.0
81.03421	100.0
81.07053	11.9
81.38718	1.1
83.04978	7.4
83.08625	23.1
85.02905	3.7
85.06570	1.5
91.05483	15.3
93.07037	7.8
95.04974	27.4
95.08598	2.0
97.02920	1.0
97.06547	2.0
98.97583	1.6
98.98517	1.2
105.07042	10.4
106.32069	1.0
107.04967	6.7
107.08607	3.8
109.06507	3.1
109.10182	1.9
110.63837	1.0
111.04447	2.0
111.08077	12.7
114.69183	1.0
116.98611	1.4
117.07027	1.3
119.04967	2.0
119.08593	9.3
121.06484	1.4
121.10144	6.2
123.08092	1.3
129.07008	8.4
131.08565	8.1
133.06464	2.5
133.10136	3.7
137.05959	1.8
137.09700	1.6
139.07590	1.0
142.07791	2.3
147.08047	2.2
147.11676	6.6
148.89540	1.0
149.09604	6.5
150.03796	1.2
157.10135	9.8
165.12721	1.4
172.90738	1.0
175.11218	13.5
193.12251	54.0
195.09193	1.4
196.09952	5.0
211.08737	1.5
211.13403	5.8
212.10735	4.5
224.09409	3.1
229.04854	1.3
239.11743	8.2
253.08978	1.4
257.04306	1.2
264.07394	1.1
267.11374	14.6
267.15924	17.1
276.62326	1.3
285.04068	6.4
285.12363	33.2
285.16766	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
54.77542	2.2
55.01859	4.3
55.05516	17.5
57.03440	30.8
59.34310	2.3
59.38813	2.7
67.05505	29.4
69.03413	4.9
69.07052	10.1
69.65862	2.3
71.04997	5.0
71.25593	4.9
75.03751	2.6
79.05489	24.3
81.03421	88.5
81.07057	32.7
83.04993	12.2
83.08624	33.1
84.71045	2.2
85.02902	45.6
91.05480	33.8
93.07060	18.1
95.04967	36.7
95.08617	12.7
97.02876	6.3
97.06505	6.1
97.10152	3.6
105.07050	21.7
107.04939	5.9
107.08569	10.2
109.06487	7.0
109.10118	5.1
111.04421	3.7
111.08083	15.7
113.05972	3.8
115.05418	3.6
119.08584	24.3
121.06435	3.4
121.10139	12.9
123.11732	2.7
123.73583	2.3
129.06985	11.7
131.08543	10.8
133.06476	4.0
133.10124	9.1
143.58406	2.4
147.08084	2.7
147.11655	17.3
149.09608	5.2
157.10121	20.8
175.11176	18.9
193.12245	100.0
203.60909	3.7
211.13321	72.6
266.87134	2.5
267.15726	15.9
285.16904	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03945	2.7
55.01872	2.2
55.05514	9.1
57.03443	12.5
59.04998	1.1
67.05503	14.0
69.03417	3.2
69.07069	4.4
69.38269	9.8
71.05006	1.7
73.02895	1.0
74.00337	0.9
79.05502	13.1
81.03420	100.0
81.07058	15.3
82.03751	1.1
83.04987	8.1
83.08621	24.7
85.02906	17.7
85.06526	1.1
91.05483	18.0
93.07064	10.4
95.04969	29.5
95.05560	1.8
95.08595	6.1
97.02870	4.5
97.06538	1.9
97.10184	2.8
98.21513	2.2
105.07030	14.2
107.04958	7.2
107.08609	3.9
109.06521	2.9
109.10155	2.2
111.04460	2.5
111.08079	13.2
113.06023	1.6
115.05456	1.4
117.06993	1.3
119.04913	1.1
119.08569	11.5
121.06522	3.0
121.10133	6.8
123.08058	1.4
123.11685	1.3
129.07008	9.1
131.08565	7.6
133.06480	3.2
133.10164	5.5
137.09644	2.1
142.07784	1.6
147.08096	3.1
147.11710	10.9
149.09631	4.5
157.10147	10.9
165.12830	3.1
175.11191	17.1
193.12245	72.0
211.13298	23.7
229.14397	2.1
236.62250	1.0
253.03685	2.0
267.15918	16.4
269.94687	1.0
285.16986	24.0
287.05545	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03930	3.7
55.01860	7.4
55.05508	16.1
56.96550	3.3
57.03196	2.1
57.03443	29.3
57.07055	3.9
59.05038	1.7
67.05508	26.3
69.03423	5.3
69.07069	13.3
71.04959	5.4
71.08606	3.2
71.58993	3.3
71.59374	2.2
77.85580	1.8
79.05496	23.9
81.03423	100.0
81.07060	33.1
83.04982	11.6
83.08621	28.6
85.02427	3.8
85.02905	45.8
85.06525	2.2
86.92444	2.2
88.11240	3.9
91.05479	25.9
93.07047	20.5
93.18542	1.8
95.04973	33.1
95.08611	12.2
97.02885	7.0
97.06516	6.5
97.10146	2.9
97.78561	1.8
105.07034	19.2
107.04943	4.4
107.08591	9.0
107.81145	1.8
109.06517	6.3
109.10142	5.9
111.04390	2.3
111.08116	16.1
113.05984	5.3
117.07027	2.6
119.08578	23.0
121.06458	2.5
121.10151	11.2
123.08117	2.4
123.11659	2.7
129.07019	11.6
131.08513	10.1
133.03455	3.1
133.06512	3.4
133.10100	9.0
137.09610	3.0
145.10065	3.0
147.08051	6.1
147.10655	2.4
147.11696	23.2
149.09595	7.4
157.10130	17.3
165.12746	4.2
169.10139	2.1
170.15416	13.0
175.11172	18.7
179.08566	2.2
193.12247	84.6
198.13419	1.7
198.14957	15.4
210.08350	1.8
211.13300	58.2
211.15280	3.3
250.85109	2.2
253.08409	2.9
267.15848	18.1
285.16953	85.6
285.22000	5.0
285.25406	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	3.4
53.45989	1.9
55.01860	3.9
55.05519	19.3
55.86117	1.8
56.96548	3.1
57.03440	24.5
57.07056	2.0
63.00080	2.5
67.05504	27.8
69.03405	6.6
69.07073	14.8
69.94640	12.4
71.04978	6.8
71.08620	5.6
73.64668	2.1
79.05495	28.8
81.03422	100.0
81.06641	3.2
81.07059	37.2
83.04984	14.0
83.08617	35.1
84.85122	1.9
85.02427	3.7
85.02907	51.1
85.06546	2.9
88.11259	4.7
88.97002	2.7
91.05479	32.7
93.07043	25.4
95.04375	2.2
95.04971	39.6
95.08616	13.8
97.02859	6.5
97.06499	6.2
97.10152	4.2
98.97583	2.8
105.07044	24.4
107.04909	6.8
107.08604	11.7
109.06502	7.0
109.10158	6.4
111.04436	2.7
111.08089	17.6
113.05988	3.4
119.08595	24.8
121.06530	3.0
121.10129	14.4
123.07990	2.6
123.11730	2.9
125.09586	2.4
129.07021	11.4
131.08565	15.3
133.03416	2.6
133.06439	3.5
133.10127	7.4
134.99635	3.2
137.09583	3.3
142.07748	3.7
145.10086	5.3
146.91533	2.0
147.08093	5.6
147.11687	22.0
148.22716	2.1
149.09596	9.2
157.10133	17.6
165.12703	4.8
170.15399	15.3
171.72137	2.2
175.11201	19.5
193.12245	99.4
198.14880	14.1
204.10915	2.7
211.11307	4.5
211.13281	67.7
229.14255	2.4
239.02682	2.3
253.08549	2.8
263.26755	2.3
267.15927	21.4
270.12564	2.7
284.63602	2.8
285.16910	98.0
285.22110	7.4
285.25272	5.1
285.29724	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	285.0831
Annotation	9-.beta.-D-Ribofuranosylxanthine
Peak:m/z	Relative Intensity
52.53987	0.5
55.01876	6.3
57.03153	0.5
57.03439	10.0
57.07088	0.6
59.04993	1.6
61.02918	1.9
64.33646	0.5
69.03433	5.6
70.06599	5.4
70.81954	0.8
71.01377	2.4
73.02921	6.9
81.03358	0.5
84.07623	0.5
84.08151	1.0
85.02905	8.1
87.04460	1.3
97.02907	3.6
98.97568	0.7
99.04470	0.6
103.03954	1.1
110.03530	6.2
110.07162	1.7
112.07616	3.9
115.03930	5.3
128.04555	1.1
129.64342	0.5
133.04964	11.8
136.01421	11.0
136.06180	1.3
137.61076	0.6
138.27623	0.5
140.07088	2.3
148.37663	0.4
153.04080	100.0
154.02501	11.5
154.04405	0.7
154.07243	0.7
267.14175	0.6
285.14890	1.0
286.17538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99076	0.4
53.03938	0.5
55.01868	5.7
55.05493	0.7
56.96568	2.2
57.03439	9.1
57.07052	0.5
59.04984	1.2
61.02913	2.8
67.05461	0.5
68.30272	0.4
69.03434	6.0
69.94566	2.3
70.06596	6.9
71.01355	2.6
71.08628	0.6
72.08120	0.5
73.02914	6.0
73.06551	0.6
81.03430	0.8
81.07030	0.8
84.08160	2.1
85.02899	9.0
87.04458	2.0
87.16520	0.5
91.05474	0.8
97.02895	4.7
98.97567	0.6
103.03938	1.2
109.02908	0.5
110.03529	4.2
110.07181	3.3
112.07616	6.1
115.03927	6.3
116.98588	0.7
124.03957	1.1
127.03907	0.9
128.04553	0.7
128.45749	0.4
133.04962	10.6
134.06029	0.6
134.99660	0.7
136.00522	0.3
136.01419	9.6
136.06158	0.5
140.07074	3.4
152.05750	0.9
152.07057	1.4
153.04071	100.0
154.02478	12.5
154.04391	1.0
154.94118	0.7
156.07726	0.7
157.09889	0.5
163.12302	0.7
164.07063	0.6
171.01385	0.8
172.95238	2.6
177.00816	0.5
190.96284	1.9
205.10580	1.4
220.09607	0.6
223.01205	0.6
227.06802	0.9
232.99677	0.5
237.02759	0.6
242.95784	0.5
267.14014	0.5
284.29562	0.5
284.96661	0.9
285.09076	0.9
285.14490	2.3
286.17734	1.8
302.97928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Crotonoside
Peak:m/z	Relative Intensity
53.31751	0.4
55.01863	1.5
55.05516	0.7
56.05029	0.9
56.96554	1.7
57.03428	1.3
57.07090	0.4
59.04995	1.0
61.02915	1.1
67.05498	0.5
68.04993	0.4
69.03421	2.4
69.07085	1.0
70.02952	1.0
70.06593	2.3
70.12019	0.8
70.12431	1.4
71.01353	0.7
72.08154	0.5
73.02907	1.4
79.05489	0.6
81.03390	1.0
82.06571	0.4
84.04489	2.0
84.08147	2.5
85.02895	4.7
86.09685	0.6
87.04453	1.4
91.05467	1.8
93.06998	0.6
93.46600	0.4
95.04965	0.9
97.02870	2.0
103.03905	0.6
105.05525	1.2
105.07021	0.9
107.08598	0.8
109.02878	0.7
109.05180	0.5
110.03538	1.1
110.07175	0.7
114.05550	0.7
115.03881	0.5
116.07045	0.4
117.01895	0.5
119.01906	0.6
119.04915	0.6
119.08556	0.5
121.06490	2.0
123.04431	1.0
125.03478	0.8
127.03988	0.9
128.04578	1.0
129.05573	0.5
129.07018	0.6
131.04938	0.9
131.08588	3.3
132.08128	0.6
133.06494	1.0
134.99599	0.5
135.03001	1.6
136.06172	6.0
136.07291	0.4
136.07639	0.5
137.06013	2.0
139.03960	0.5
141.10237	0.6
145.03593	0.4
145.04968	1.4
145.10107	0.6
147.07993	0.6
149.04916	0.5
149.05884	2.2
149.09598	0.7
150.05515	0.5
151.03865	1.0
151.07431	0.4
152.05672	100.0
153.02866	0.8
153.04080	11.0
154.02452	0.7
158.09697	0.7
159.08070	3.5
161.02948	0.6
161.09615	0.6
162.05510	2.6
164.07027	1.0
165.00659	0.5
165.05432	0.5
165.09129	0.5
169.09805	0.6
173.09575	0.5
174.12790	1.0
175.04773	0.7
175.06274	3.2
175.07556	0.9
176.10690	0.6
177.07730	0.5
177.09103	6.9
178.12251	0.6
187.07547	0.5
189.07796	1.2
201.02455	0.7
202.12286	1.0
203.10748	0.7
204.10201	30.6
206.11722	3.6
207.12195	0.6
208.12370	1.5
220.07645	0.4
220.13287	2.7
221.11758	0.5
222.11241	4.6
230.11775	2.7
231.10243	0.6
238.08707	0.6
238.11964	0.7
248.12819	10.6
256.12875	0.8
257.04782	0.4
258.11456	0.4
261.02875	0.9
266.07956	0.6
266.13898	12.0
269.33585	0.4
284.06262	0.6
284.09305	1.8
284.11615	0.8
284.14905	23.5
284.29440	3.9
295.05280	0.5
302.06750	0.5
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	NSC19994
Peak:m/z	Relative Intensity
53.09090	0.8
55.01870	1.4
56.96553	1.0
57.03428	2.2
57.07061	0.8
69.03432	1.3
70.06180	3.9
70.06581	2.7
71.01334	2.5
73.02904	1.2
74.16584	0.8
81.07063	1.0
82.04068	2.4
84.04506	1.5
84.08146	1.0
85.02907	2.6
91.05479	0.9
94.04058	1.0
95.91789	0.9
97.02891	0.8
97.04008	1.1
97.05170	1.2
103.34997	0.7
105.07025	1.1
109.05136	5.0
110.03522	3.6
110.09612	1.0
112.07607	1.4
124.06219	1.5
125.04611	3.4
125.06980	1.0
126.07764	3.3
127.06148	11.3
128.04582	2.3
130.08644	1.0
131.08568	0.8
133.06432	0.9
135.03012	2.2
135.05406	1.6
136.06186	93.4
137.04622	6.7
149.05901	0.9
151.06168	1.3
152.05673	100.0
153.04057	0.8
154.07236	9.7
159.08038	1.6
162.05540	1.7
164.05713	1.4
174.12791	1.1
175.06207	1.9
177.09132	4.2
178.07228	2.4
178.67714	0.8
186.04337	1.0
204.10213	13.6
222.11186	2.1
224.07463	0.8
239.07819	1.2
240.06310	1.2
248.12839	5.1
256.10373	1.4
261.02942	1.0
266.08896	3.3
266.13846	6.7
267.07407	1.1
284.01968	1.6
284.09912	28.1
284.14798	14.5
284.29468	5.6
306.02637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
52.94256	1.7
53.03941	5.5
55.05516	11.8
57.07073	3.4
65.03937	1.7
66.29737	1.5
67.05179	1.7
67.05511	20.7
69.03413	6.5
69.07060	12.9
71.04996	24.8
77.03933	2.2
79.05500	19.7
80.90412	1.6
81.07056	41.7
83.04977	3.9
83.08604	5.3
91.05479	24.3
93.07040	39.6
95.04958	13.2
95.08619	20.4
97.06528	6.5
103.05500	3.0
105.07037	54.8
107.08600	32.2
109.06517	8.2
109.10155	21.6
111.08070	3.6
115.05460	4.4
117.07014	14.5
119.07792	3.4
119.08582	43.9
121.06483	7.7
121.10148	86.4
121.11031	4.7
123.08058	10.6
123.11696	7.7
128.06215	7.1
129.06989	5.1
130.07785	6.3
131.08585	37.2
133.10138	31.3
135.08029	12.1
135.11697	11.1
142.07784	6.2
143.08556	23.9
144.09378	3.1
145.10132	50.2
146.07246	3.9
146.10463	2.1
147.08073	3.2
147.11702	10.7
149.09691	2.8
149.13271	3.2
155.08530	3.3
156.09319	4.5
157.10138	17.8
158.10905	8.1
159.08022	3.4
159.11684	14.7
161.09631	31.8
161.13246	7.9
163.11220	6.9
169.10112	6.0
170.10895	2.2
171.11655	13.1
173.09732	2.5
173.13263	67.4
174.13708	2.1
175.11240	4.5
175.14836	8.1
179.08655	2.2
181.10078	5.0
183.11732	7.2
185.09779	3.3
185.13237	9.4
187.14809	11.1
189.12714	3.6
191.14272	4.5
193.10175	2.4
194.10867	3.5
195.11661	8.9
197.13263	3.7
199.11127	3.0
199.14865	8.8
201.16235	2.5
203.14305	3.0
207.11731	2.6
209.13298	14.0
211.14845	2.7
213.12689	2.6
213.16344	3.5
218.01271	2.1
223.14847	9.0
225.16411	3.7
227.14282	7.4
235.14738	2.6
239.17926	2.7
255.21046	9.7
265.19617	20.6
283.20566	100.0
284.20959	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.01867	8.7
55.05510	16.7
57.03456	7.3
57.07095	6.2
58.63951	3.9
62.52162	3.2
67.05502	29.5
69.07065	10.6
70.74617	3.4
71.58463	4.4
77.78676	3.2
79.05496	30.9
81.03440	3.6
81.07056	34.2
83.04977	6.5
83.08625	11.9
91.05456	17.7
93.07042	57.5
95.04971	11.2
95.08614	43.4
97.02905	8.7
97.06502	4.5
99.04479	7.4
105.07040	14.3
107.04953	8.5
107.08612	44.3
109.06530	3.3
109.10142	4.7
111.04437	6.1
111.08097	3.3
117.07020	11.2
119.08582	11.2
119.87877	3.2
121.10122	20.4
129.06989	3.4
131.08572	13.1
133.10123	5.6
135.11687	38.7
143.08604	3.3
145.10135	22.5
147.11694	4.2
163.11192	57.5
173.13284	23.9
181.12199	16.4
191.14310	6.4
209.11658	3.9
227.12775	100.0
235.26181	3.1
283.15338	38.6
283.20535	7.2
283.28403	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03922	3.6
55.01839	4.5
55.05516	17.8
57.03421	6.2
57.07071	4.4
67.05501	27.3
69.03405	8.2
69.07066	19.9
71.04994	22.8
79.05495	31.1
81.03426	2.6
81.07059	49.7
83.04979	5.8
83.08599	8.9
91.04957	3.2
91.05478	33.9
93.06480	3.5
93.07047	56.2
95.04980	16.7
95.08051	2.4
95.08605	28.7
97.06501	8.7
97.10122	4.6
103.05466	2.2
105.07030	60.8
106.38107	2.2
107.08604	39.0
109.06506	10.9
109.10140	25.0
111.04405	4.2
111.08063	3.2
111.11655	2.0
115.05383	3.2
117.07026	19.4
119.07814	3.4
119.08582	50.5
121.06519	11.1
121.10150	100.0
123.08044	10.3
123.11669	7.5
125.09615	2.3
128.06207	3.6
129.06966	8.3
130.07765	8.4
131.08571	39.4
133.10124	40.7
135.08080	12.1
135.11681	17.8
142.07730	6.8
143.08542	19.8
144.09360	4.4
145.09048	3.9
145.10126	58.6
146.07239	4.1
147.07990	3.4
147.11681	11.7
149.09630	3.7
149.13240	5.3
153.12683	3.0
155.08517	3.1
156.09323	4.4
156.10603	2.0
157.10146	17.1
158.10883	6.6
159.08064	2.6
159.11719	12.7
161.09613	29.9
161.13202	4.2
163.11166	15.3
163.14824	3.0
167.08435	2.2
169.10046	5.3
170.10863	2.6
171.11670	11.9
173.09619	3.5
173.13264	80.7
175.11153	3.4
175.14859	11.9
179.08505	5.0
181.10098	6.4
183.11655	4.8
185.13185	6.2
187.14818	11.1
189.12709	2.8
191.14232	8.6
193.10239	2.5
193.15871	2.6
194.10872	2.8
195.11673	6.0
197.13196	4.6
199.11046	2.2
199.14743	5.9
201.12709	3.4
201.16307	2.5
208.12401	2.3
209.11482	2.4
209.13364	11.2
211.14767	2.0
213.16403	3.9
215.14149	2.8
223.14742	6.9
225.16467	4.3
227.12485	3.7
227.14400	5.6
239.17807	2.3
255.20984	6.4
265.19540	14.3
283.15305	7.0
283.20465	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03256	0.9
53.03946	2.5
55.01875	3.4
55.05516	10.5
56.96575	1.9
57.03440	10.6
57.07079	1.7
65.03931	1.2
67.05509	12.6
69.03440	1.8
69.07062	7.3
71.05003	2.2
71.57489	1.6
79.05499	22.4
81.03410	2.8
81.07056	17.3
82.18167	1.0
83.04979	4.6
83.08623	6.6
83.15679	1.0
89.06037	1.8
91.05461	7.9
93.07047	33.8
95.04974	6.8
95.08610	32.8
96.08910	1.1
97.02910	4.3
97.06539	3.1
97.10167	1.4
99.04478	4.0
100.83421	1.0
105.07014	6.7
107.04950	7.3
107.08597	24.2
109.06527	2.5
109.10161	2.9
111.04436	2.1
116.98643	1.5
117.07014	9.5
119.08588	8.6
121.06512	5.3
121.10150	13.8
125.06007	2.3
129.06963	1.4
130.07813	2.0
131.08539	1.5
133.10144	4.2
135.08116	1.1
135.11693	40.3
136.11974	1.1
139.07541	2.7
143.08589	1.4
145.10130	27.0
145.11296	1.5
147.11664	1.2
149.09610	4.1
153.12738	1.6
157.10184	1.0
163.11182	56.0
164.11621	1.1
169.00125	1.0
181.12222	13.9
197.87744	1.0
209.11781	1.1
209.77185	1.1
227.12781	100.0
228.13130	3.0
233.84856	0.9
283.15363	31.2
283.20578	2.6
285.45068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
55.05513	14.1
57.03427	11.7
57.07063	9.6
67.05503	22.7
69.07054	11.3
70.77827	6.7
71.08640	2.8
79.05495	24.3
81.03388	2.6
81.07059	22.7
83.05015	4.8
83.08614	10.4
84.44965	2.5
85.10142	2.6
91.05477	12.3
93.07039	37.8
95.04964	7.7
95.08598	34.3
97.02903	3.5
97.06535	3.5
97.10168	3.1
98.21416	3.2
99.04465	5.6
105.07018	8.7
107.04942	10.8
107.08601	23.3
109.10159	3.4
111.04393	3.6
111.08036	2.6
117.07001	10.4
119.08563	9.9
121.06512	6.3
121.10141	16.6
131.08571	3.1
133.10149	5.3
135.11691	35.9
143.08540	2.9
145.10117	27.5
149.13339	2.6
163.11180	57.6
172.95259	2.6
181.12193	13.3
190.96294	2.6
227.12778	100.0
228.13123	5.4
246.99057	3.5
260.98492	2.7
283.15363	42.0
283.20496	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05498	12.4
57.03436	13.2
57.07061	6.4
57.98861	2.4
67.05510	18.6
69.03432	4.2
69.07064	9.8
70.85886	2.6
71.08609	6.0
79.05490	25.1
81.03419	4.6
81.07063	21.7
83.04996	6.3
83.08620	11.0
89.06024	3.2
91.05463	10.3
93.07043	38.8
95.04969	10.5
95.08608	34.9
97.02885	5.1
97.06530	7.6
98.20659	4.1
99.04448	6.9
103.05383	3.1
105.07009	10.5
107.04946	8.2
107.08585	23.8
109.10160	6.8
111.04478	3.6
117.07009	10.1
119.08586	9.8
121.06490	8.5
121.10131	13.1
125.05963	4.2
133.10139	5.1
135.08035	2.9
135.11697	51.0
145.10120	27.5
163.11182	66.2
181.12236	19.3
190.96214	5.1
191.10638	4.5
209.11682	4.0
227.12782	100.0
251.24052	3.2
283.15350	42.0
283.20264	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06768	1.7
53.03944	3.2
55.01873	2.5
55.05508	12.1
57.03434	13.9
57.07070	4.2
67.05505	15.1
69.03416	1.9
69.07076	10.9
69.81989	7.1
69.82397	3.8
71.04988	1.9
71.08644	2.7
71.95285	1.5
72.13090	1.6
73.96226	1.5
79.05490	24.4
81.03429	3.9
81.07055	20.6
83.05000	5.3
83.08631	8.3
85.02876	1.6
85.10200	2.2
89.06055	2.6
91.05476	7.9
93.07044	32.7
93.11839	1.6
95.04981	6.1
95.08609	37.9
97.02901	3.6
97.06522	3.5
97.10213	1.9
99.04509	1.9
105.07031	8.3
107.04932	9.5
107.08588	26.5
109.06501	3.0
109.10184	3.1
111.04446	3.2
111.98161	1.7
117.06999	8.6
119.08584	11.6
121.06498	5.9
121.10151	13.9
122.47310	1.6
125.05976	2.5
130.07774	2.3
131.08556	1.9
133.10146	3.9
135.08072	3.0
135.11699	43.0
145.10115	24.6
153.12769	1.9
163.11183	53.3
172.95222	2.9
173.09660	2.1
181.12259	13.7
191.10713	3.4
209.11789	3.4
223.14841	1.8
227.12785	100.0
246.98984	2.1
257.96091	1.5
283.15363	46.3
283.20599	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01852	3.6
55.05513	8.5
57.03437	9.7
57.07053	2.9
58.37883	0.9
67.00554	1.0
67.05502	14.9
69.03416	2.6
69.07060	7.7
70.71223	3.3
70.76786	0.8
71.04969	3.5
73.02898	1.0
79.05491	20.2
81.03403	2.4
81.07058	18.7
83.01319	0.8
83.04984	4.8
83.08611	7.6
85.06542	1.6
91.05486	6.8
93.06474	1.4
93.07044	31.3
95.04958	8.2
95.08607	35.6
97.02905	4.8
97.06513	3.9
97.10156	1.1
97.48549	0.8
98.38184	0.9
99.04437	4.2
103.05443	2.7
105.07021	6.0
107.04391	0.9
107.04965	10.6
107.08600	23.8
109.06454	2.9
109.10146	3.8
111.04426	2.4
111.08092	1.3
113.05985	1.1
117.07014	10.6
119.08572	7.4
121.02776	1.0
121.06522	4.3
121.09415	1.2
121.10148	11.3
125.05968	3.0
129.06982	1.2
130.07784	2.2
131.04897	1.7
131.08513	2.3
133.10173	1.3
134.09625	1.3
135.08066	2.1
135.11688	43.2
136.12100	1.2
139.07536	1.5
143.08551	1.6
145.10120	25.4
153.12717	2.0
163.11183	54.5
164.11461	1.5
173.09633	1.5
181.12233	14.9
181.60890	1.0
209.11761	2.4
227.12772	100.0
228.13168	1.6
231.07332	1.0
244.20938	1.0
245.03116	1.0
257.27808	1.0
283.15384	35.7
283.20493	2.1
284.15668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01869	5.4
55.05505	10.7
56.66603	1.1
57.03435	11.0
57.07056	2.5
57.83397	1.2
58.00669	1.2
62.68970	1.2
67.05503	14.9
69.03415	2.1
69.07077	8.4
69.55550	10.3
71.04987	3.0
71.08588	1.6
79.05073	1.5
79.05496	27.3
80.54962	1.2
81.03410	3.4
81.07061	21.7
83.04974	6.9
83.08624	8.2
85.06560	1.7
89.05999	2.3
91.05495	8.7
93.07048	39.2
95.04980	8.8
95.08609	40.9
97.02882	5.1
97.06501	3.2
97.10145	1.8
99.04427	3.7
105.07040	9.5
106.74973	1.4
107.04949	8.6
107.08591	26.4
109.06506	2.1
109.10143	4.6
111.04419	3.4
111.08118	1.7
113.05959	1.4
117.07018	9.9
119.08573	10.9
121.06500	6.5
121.10142	13.1
124.88314	1.3
125.05988	3.3
130.07751	3.3
131.08524	1.6
133.10126	3.2
135.08031	2.3
135.11693	53.4
135.12718	2.8
139.07547	1.8
143.08545	1.7
145.10132	30.7
153.12724	1.8
157.10115	1.9
159.11723	1.1
163.11186	58.9
164.11627	1.9
173.09576	2.0
174.28189	1.3
181.12192	12.0
191.10594	1.3
209.11722	3.7
227.12776	100.0
228.13272	2.5
255.15945	1.4
283.15402	41.8
283.20541	5.1
283.24124	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19571	4.9
54.20750	4.3
55.05507	14.6
57.03429	11.6
57.07081	6.1
67.05495	15.4
69.07082	11.3
69.46463	47.2
71.04993	6.7
79.05500	29.5
81.07053	25.2
83.04992	6.6
83.08619	9.1
91.05477	11.6
93.07040	38.4
95.04977	9.1
95.08608	30.6
98.20792	10.1
105.07040	10.9
107.04919	6.0
107.08625	26.3
109.06504	7.6
109.10284	4.7
111.04434	4.8
117.07043	7.7
119.08588	11.5
121.06499	6.9
121.10168	14.1
135.08089	5.3
135.11703	36.6
145.10185	26.2
161.90587	4.6
163.11174	50.6
173.09695	5.1
181.12277	16.5
188.65013	4.9
209.11783	7.1
227.12799	100.0
283.15475	46.4
283.20389	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	3.6
55.05512	8.8
57.03446	9.7
57.07076	1.3
63.14642	0.4
65.03921	1.0
67.05162	0.9
67.05511	13.6
69.03436	2.2
69.07069	6.6
71.04987	2.3
71.59499	0.6
73.02923	1.2
79.05499	21.5
81.03425	2.8
81.07065	15.5
81.24949	0.5
83.05000	3.8
83.08624	6.6
85.02899	0.8
85.06553	0.9
91.05483	7.4
93.07053	30.7
93.22480	0.5
95.04977	6.7
95.08613	31.0
97.02911	3.3
97.06522	2.8
97.10175	1.4
99.04459	4.1
103.05436	0.6
105.07025	5.8
107.04964	8.1
107.08607	23.5
109.06525	2.0
109.10157	3.3
111.04462	1.6
111.08087	1.3
117.07035	7.6
119.08588	7.4
119.09375	0.9
121.02872	1.6
121.06519	6.4
121.10154	11.9
123.08055	0.6
125.06003	2.7
125.09679	0.8
127.07612	0.7
129.06998	0.7
130.07779	1.5
131.08543	0.7
133.10120	2.3
135.08049	2.1
135.11702	39.2
136.12032	1.0
139.07570	1.7
139.11182	0.6
143.08571	1.2
145.06546	0.7
145.10129	24.1
149.09721	0.5
153.12798	1.2
155.08551	1.0
163.11194	54.2
164.11571	1.2
173.09613	1.1
181.12254	14.7
182.96988	0.5
191.10635	0.6
204.76669	0.5
209.11746	2.0
214.17036	0.5
227.12798	100.0
228.13181	2.1
283.15414	31.3
283.20471	1.2
284.15961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01875	4.1
55.05306	0.9
55.05512	9.3
57.03433	10.4
57.07058	2.8
67.05185	1.2
67.05508	15.1
69.03405	1.8
69.07075	6.7
69.24101	0.7
69.41217	7.5
71.04977	3.8
72.42790	0.8
73.02920	1.3
76.74244	0.9
79.05069	1.5
79.05495	21.9
79.05959	1.3
81.03394	2.4
81.07060	20.7
83.04964	4.4
83.08614	8.6
91.05477	6.5
92.42088	0.8
93.07043	34.5
95.04950	6.8
95.08611	36.7
96.08945	1.2
97.02879	3.2
97.06519	3.2
97.10122	1.5
99.04453	4.9
105.07041	6.6
107.04974	7.9
107.08596	24.4
109.06515	1.5
109.10143	4.0
110.18520	0.7
111.04427	2.0
111.08035	1.2
115.05454	0.9
117.07024	7.7
119.08580	9.1
121.06491	5.3
121.10143	12.3
125.05982	2.5
129.06989	0.9
130.07773	1.4
133.10107	2.5
135.08026	2.3
135.11690	47.9
139.07590	1.7
143.08612	1.3
145.06458	1.0
145.10127	27.0
151.42616	0.8
153.12698	1.2
161.92769	0.8
163.11180	58.0
164.11508	1.4
168.60277	0.8
173.09718	1.3
181.12228	12.9
190.96259	1.3
209.11765	1.1
227.12782	100.0
228.13170	1.7
246.98987	1.1
283.15372	36.5
283.20407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03941	2.0
53.97287	0.5
55.01871	4.1
55.05264	0.7
55.05511	9.9
57.03151	0.6
57.03436	11.0
57.07063	0.7
65.03938	1.0
67.05503	12.9
69.03431	2.3
69.07072	6.9
69.44765	2.8
69.45183	1.3
70.06587	1.0
71.04991	2.5
73.02919	1.0
77.03898	0.5
79.05490	22.9
81.03410	4.2
81.07056	17.3
83.04960	4.2
83.08619	8.7
85.02901	0.8
85.06537	0.7
91.05487	8.9
93.03398	0.7
93.07043	32.9
95.04964	6.2
95.08607	32.1
96.48277	0.5
97.02881	3.6
97.06526	5.1
97.10181	1.1
99.04456	4.0
103.05491	1.2
105.07030	5.9
107.04954	8.5
107.08595	24.5
109.02831	0.5
109.06522	2.9
109.10162	3.1
109.81956	0.5
111.04430	3.6
111.08080	1.4
112.07611	0.6
113.06041	1.1
113.09628	0.6
117.07013	8.5
119.08576	9.3
121.02837	1.9
121.05656	0.7
121.06496	5.4
121.10139	11.5
123.04469	0.7
125.05975	3.5
125.09628	1.4
129.07008	0.9
130.07771	2.0
131.04945	0.5
131.08545	0.9
133.10147	2.4
135.08095	2.5
135.11691	40.0
136.12038	0.8
137.06033	0.8
137.09583	0.6
137.13231	0.5
139.07552	1.9
139.11066	0.6
141.16235	0.5
143.08568	1.6
145.06458	0.7
145.10121	26.3
149.09656	0.6
153.12740	1.5
155.08554	0.8
163.11183	52.6
164.11487	0.8
173.09656	1.5
181.12241	13.7
190.39920	0.4
191.10681	1.4
209.11707	2.7
227.12778	100.0
228.13161	2.2
229.03191	0.5
265.14578	0.6
283.10263	1.4
283.15393	37.2
284.15854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.8
55.05510	19.4
56.96532	2.1
57.03432	14.7
57.07068	4.1
67.05173	2.4
67.05502	27.9
69.03415	4.9
69.07068	14.1
70.06604	4.6
71.04981	6.0
71.08604	2.8
72.50587	2.2
79.05068	2.6
79.05493	39.5
81.02982	2.8
81.03415	31.7
81.07045	27.9
83.01353	3.0
83.04986	22.6
83.08624	13.4
85.02880	3.9
85.06555	2.9
91.05482	17.5
93.06480	3.3
93.07045	42.3
95.04974	15.7
95.08599	34.2
97.02885	8.9
97.06522	9.7
97.10161	3.0
98.21490	5.7
99.04449	7.3
105.07032	12.8
107.04951	34.9
107.08582	30.3
109.02876	2.4
109.06510	4.9
109.10134	6.5
111.04462	17.4
111.08079	7.7
115.05405	2.4
117.07008	11.7
118.25417	2.0
119.08573	11.7
121.02859	5.1
121.06473	9.6
121.10157	15.5
123.04463	2.2
123.08088	5.7
125.05991	5.2
125.09623	2.9
129.05415	2.3
129.07007	4.5
131.04826	2.4
131.08560	8.0
133.10081	5.7
135.11681	45.6
137.05946	4.5
137.09575	3.9
142.35400	2.2
143.08549	3.1
145.10129	31.9
147.08020	3.5
147.11667	3.9
149.09531	2.4
153.12744	17.8
155.08493	2.4
159.11679	3.3
163.11180	68.3
173.09607	7.5
181.12227	22.3
191.10681	16.1
208.65886	2.1
209.11717	10.4
227.10518	4.8
227.12787	100.0
228.13110	2.9
228.79840	2.1
234.75821	2.3
237.10405	2.0
253.40170	2.3
263.08820	2.3
283.10605	4.0
283.15396	74.8
283.20538	5.7
284.15881	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
54.44280	0.7
55.01871	4.1
55.05260	0.9
55.05508	11.4
57.03193	0.8
57.03440	12.1
57.07060	1.5
65.03928	1.9
66.04642	0.6
67.05176	1.2
67.05507	16.6
69.03419	4.0
69.07069	7.9
70.06577	1.6
70.19889	1.5
70.20296	0.8
71.04995	3.4
73.02908	1.5
73.85612	0.6
79.05497	26.5
81.03406	4.1
81.07059	18.9
83.04974	6.1
83.08619	8.4
85.02876	1.5
85.06538	1.0
91.05483	9.8
93.07045	40.1
95.04967	8.2
95.08607	36.5
97.02888	5.3
97.06528	7.0
97.10164	1.7
99.04450	4.6
103.05463	0.7
105.01950	0.6
105.07030	8.8
107.04962	10.2
107.08596	27.3
109.06518	2.8
109.10155	3.6
111.04456	3.3
111.08085	1.5
113.06046	1.0
114.09167	0.7
116.98619	0.8
117.07010	7.9
117.42497	0.6
119.08588	9.5
121.02882	2.8
121.06510	6.0
121.10138	13.5
123.08080	0.7
125.06011	3.2
125.09621	2.5
129.07028	1.1
130.07768	2.5
131.04890	0.8
131.08565	2.3
133.10123	3.0
135.08073	3.0
135.11696	41.6
136.12036	1.5
137.06003	1.3
139.07509	2.1
143.08575	1.4
145.06482	1.0
145.10121	30.0
147.08040	1.1
147.36168	0.6
149.09636	1.3
153.12717	2.3
155.08470	1.0
163.03763	0.7
163.11183	63.5
164.11545	1.4
173.09583	2.2
181.09920	0.6
181.10501	0.7
181.12224	13.9
191.10706	1.5
209.11780	3.6
222.98087	0.7
227.12781	100.0
228.13159	2.5
259.60031	0.7
280.72540	0.7
283.10507	1.5
283.15402	40.0
284.15671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.01867	8.7
55.05510	16.7
57.03456	7.3
57.07095	6.2
58.63951	3.9
62.52162	3.2
67.05502	29.5
69.07065	10.6
70.74617	3.4
71.58463	4.4
77.78676	3.2
79.05496	30.9
81.03440	3.6
81.07056	34.2
83.04977	6.5
83.08625	11.9
91.05456	17.7
93.07042	57.5
95.04971	11.2
95.08614	43.4
97.02905	8.7
97.06502	4.5
99.04479	7.4
105.07040	14.3
107.04953	8.5
107.08612	44.3
109.06530	3.3
109.10142	4.7
111.04437	6.1
111.08097	3.3
117.07020	11.2
119.08582	11.2
119.87877	3.2
121.10122	20.4
129.06989	3.4
131.08572	13.1
133.10123	5.6
135.11687	38.7
143.08604	3.3
145.10135	22.5
147.11694	4.2
163.11192	57.5
173.13284	23.9
181.12199	16.4
191.14310	6.4
209.11658	3.9
227.12775	100.0
235.26181	3.1
283.15338	38.6
283.20535	7.2
283.28403	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.5
57.03437	9.5
67.05505	14.3
69.07071	7.3
69.30915	9.2
69.31332	17.1
79.05499	23.1
81.03407	3.6
81.07067	21.0
82.82944	3.0
83.04989	3.5
83.08616	5.7
89.06047	4.0
91.05499	9.2
93.07037	33.7
95.04953	8.2
95.08611	36.9
97.02905	5.9
105.07040	6.7
107.04960	8.8
107.08604	26.0
117.07043	9.1
119.08607	9.7
121.06506	3.4
121.10160	11.2
125.05995	3.7
135.08109	2.4
135.11703	45.7
137.16530	2.7
145.10110	27.4
163.11185	56.3
181.12204	12.7
192.39987	2.5
197.52859	2.6
227.12785	100.0
228.13231	2.9
247.17329	2.4
283.15369	42.0
283.20404	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	283.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05504	2.1
56.96550	1.1
57.03428	1.7
57.07072	1.0
67.05512	3.0
69.03407	0.8
69.07073	2.9
69.60952	1.1
69.61367	3.5
71.04948	0.8
79.05499	3.8
81.03416	0.7
81.07053	4.9
83.04980	1.8
83.08622	1.5
85.06540	0.7
91.05478	1.9
93.07047	6.2
95.04937	1.4
95.08612	5.7
97.02869	1.3
97.06522	1.5
97.10189	1.1
98.97569	1.4
99.04455	0.5
105.07024	2.6
107.04949	1.7
107.08608	4.4
109.06498	0.9
109.10143	1.9
111.04460	0.9
116.98618	1.5
117.07001	1.8
119.08582	2.4
121.02895	1.0
121.06540	0.7
121.10149	2.5
121.17239	0.5
125.09657	0.5
129.06970	0.6
131.08611	0.9
133.10129	1.3
134.99652	1.1
135.11691	7.0
139.11160	0.6
145.10118	5.0
146.99562	0.7
147.11713	1.1
159.11691	0.7
161.01212	0.8
163.11185	7.7
173.13217	0.6
175.11234	0.7
181.12239	2.4
187.08086	0.8
191.10669	0.7
201.12669	0.8
204.64194	0.6
227.12791	13.4
233.11539	2.6
237.02800	1.8
255.08086	0.6
265.14240	0.7
269.12396	3.8
274.09610	1.2
280.61627	0.6
283.15189	100.0
283.24078	2.3
284.15625	2.6
292.14154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.7
67.05497	4.8
69.07067	19.6
71.51048	4.1
79.05497	11.1
81.07065	3.5
91.05470	10.8
93.07048	4.2
95.04961	3.2
97.06538	100.0
107.04977	5.1
109.02876	5.0
114.65402	3.3
115.11551	2.9
119.04945	10.3
123.04469	6.1
132.85503	2.9
135.04424	6.3
137.05974	82.2
147.04396	6.2
148.05177	8.5
148.08255	3.2
151.03790	2.9
164.07047	9.5
169.04961	3.6
177.09084	27.4
182.88885	2.7
189.09084	14.4
195.97522	3.2
206.11780	15.6
233.11717	76.4
235.13196	7.8
238.17989	6.3
264.15964	75.3
265.10770	3.3
265.14380	5.2
282.13596	5.0
282.16855	7.3
283.06085	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	282.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85509	3.2
59.66076	3.5
61.07669	3.0
67.05502	7.4
69.07070	22.3
69.87212	11.4
69.87619	7.7
71.05025	2.7
71.85659	3.2
74.38681	2.7
79.05505	22.8
85.83739	2.8
91.05494	15.1
95.04976	6.1
95.08611	3.6
96.63673	2.8
97.06535	97.7
98.21409	6.2
105.07073	4.2
107.04993	7.1
107.08624	4.1
111.08021	2.9
117.07005	3.8
119.04961	8.3
123.04439	6.2
129.09135	9.2
130.18494	3.4
131.08583	3.0
133.06419	5.3
135.04396	5.7
135.11691	7.9
136.47211	3.0
137.05984	100.0
147.04399	8.2
148.05171	7.4
149.06006	3.5
158.45534	2.6
163.11209	7.5
164.07074	9.3
172.16406	3.1
177.09134	31.4
187.11397	3.2
189.09097	20.2
206.11816	17.5
215.10672	14.4
227.12810	13.3
233.11745	69.7
235.13242	5.0
247.13300	40.3
250.14337	4.2
254.83881	3.2
255.77197	3.4
264.15945	80.3
265.14343	13.1
283.15411	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	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01879	4.2
55.05495	3.4
57.03428	7.3
59.04984	2.0
61.02929	3.3
65.73367	2.1
66.59760	2.0
67.05492	3.8
69.06722	2.6
69.07072	38.9
71.01436	3.6
71.01778	3.3
73.95820	1.7
79.05502	16.7
81.03471	2.0
81.07039	3.6
85.06543	2.7
91.05479	19.5
93.07023	2.3
96.38219	1.8
97.06534	86.3
98.06909	1.9
100.13506	1.6
103.50436	1.8
109.06526	2.0
111.08094	3.8
115.56237	1.8
119.04948	12.4
119.40496	1.5
123.04467	2.1
129.09113	14.4
135.04405	5.6
137.05986	100.0
138.06363	2.0
147.04442	11.1
148.05229	3.9
149.05969	2.4
162.91402	1.9
164.07089	3.8
175.07533	2.1
177.09140	14.2
180.24196	2.5
189.09114	19.1
206.11754	10.0
215.10739	2.9
222.10930	1.8
233.11736	89.3
233.14098	4.2
234.12021	2.9
238.18057	7.8
247.13271	2.9
250.14543	3.6
262.25244	2.0
264.15970	56.5
265.10519	3.8
265.14325	41.8
282.20642	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	282.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05500	1.3
55.65280	1.0
57.03445	5.1
59.04998	1.1
61.02922	2.9
67.05496	1.7
69.07072	31.8
70.51660	4.4
71.05009	1.3
73.25037	1.1
78.04722	1.0
79.05495	16.0
81.07089	1.9
81.80385	1.2
85.06528	1.1
91.05487	16.5
97.06535	67.4
107.04939	1.4
109.06543	1.1
111.08078	2.3
117.07025	1.3
118.60502	1.1
119.04959	10.3
121.06508	2.2
123.04427	1.4
129.09117	13.1
133.06508	1.4
135.04417	3.7
137.05984	100.0
147.04396	5.3
148.05141	2.7
149.06012	1.5
159.47232	1.0
163.07570	1.5
163.11098	1.2
164.07060	4.2
168.81277	1.1
177.09114	10.6
189.09122	16.2
206.11765	9.8
215.10712	3.7
227.12839	2.3
233.11731	60.5
234.11943	1.3
247.13249	7.7
250.14482	3.4
256.39285	1.0
258.97299	1.1
264.15958	36.8
265.14359	41.9
266.00305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01875	2.2
55.05504	3.7
56.96561	1.7
57.03434	5.2
61.02932	2.8
67.05500	3.0
69.03448	2.3
69.07064	2.1
70.06582	1.4
71.04996	4.4
71.58957	1.6
72.08147	1.6
79.05502	4.0
81.03407	1.9
81.07070	2.7
83.04984	2.6
83.08622	1.0
84.04501	2.0
84.08134	2.3
85.02889	1.6
85.06556	1.6
85.21226	1.0
86.09703	1.4
91.05480	8.6
93.07052	3.3
95.04978	2.3
95.08629	2.7
96.01616	1.0
97.02935	2.0
97.06545	2.7
98.97604	2.0
103.05479	2.7
105.07026	7.3
107.04977	3.9
107.08627	1.3
109.02902	1.7
113.09631	2.1
116.98641	1.6
117.07017	4.1
119.04949	2.9
119.08588	2.2
120.04456	1.5
120.08157	1.4
121.05110	1.7
121.06530	5.9
123.04433	1.6
128.06258	4.9
129.06978	1.1
131.04982	2.6
131.08603	3.1
133.06500	22.8
133.10144	3.7
134.09666	1.6
134.99677	2.2
135.04478	2.5
137.05978	5.7
141.07016	1.7
143.08557	4.5
145.06500	2.7
145.10037	1.1
146.07294	1.0
147.04417	1.9
147.08081	2.1
149.05981	9.6
151.03906	1.9
152.05679	34.6
153.04106	4.1
153.05379	1.0
154.07790	1.4
159.08047	2.8
159.11728	1.5
161.06030	2.8
161.09619	17.2
162.05498	3.0
163.03918	1.3
163.07532	7.5
164.07091	2.2
167.06989	6.8
169.10141	1.5
171.08105	3.5
173.06036	1.3
177.00703	1.7
177.09126	10.1
187.11168	3.4
189.05565	5.0
189.09114	100.0
205.12341	3.9
206.11758	34.6
209.11928	1.1
215.10666	7.3
216.02567	1.0
232.13332	2.6
233.11716	23.5
235.63731	1.5
236.12894	3.2
247.09645	3.9
247.13252	4.7
250.14348	3.1
263.64633	1.3
264.09387	1.9
264.12350	3.1
264.15942	12.4
265.10699	3.6
265.14365	23.6
282.10269	1.9
282.13159	3.6
282.15823	5.3
282.22098	2.1
283.15427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01862	5.3
55.05513	30.7
56.96559	1.6
57.03439	32.7
57.07065	4.1
57.82775	1.2
64.50439	1.4
65.03939	6.2
67.05506	95.1
69.03421	2.9
69.07068	19.6
69.48299	9.4
71.04990	3.4
71.08624	1.5
71.31062	1.1
73.06540	1.9
79.05495	100.0
81.03422	12.0
81.07059	67.2
83.04985	33.0
83.08623	11.9
85.06541	3.8
91.05483	67.4
91.90382	1.3
93.07047	79.1
95.04974	31.3
95.08608	44.1
95.09230	2.2
97.06516	9.1
97.10163	5.3
98.20842	1.8
99.08049	1.6
103.05459	1.8
105.04468	1.4
105.07037	51.2
107.04964	7.5
107.08601	25.8
109.06527	11.1
109.10130	7.8
111.08082	2.5
115.05436	2.1
117.07032	11.3
119.08582	34.2
121.06499	4.8
121.10116	5.9
123.08070	14.0
123.11717	1.3
127.07602	2.0
128.06229	4.4
129.07018	22.1
131.08569	3.8
133.06450	1.8
133.10136	15.6
135.08084	2.1
135.11684	4.1
143.08585	11.1
145.10120	14.0
147.08057	4.7
147.11693	52.8
150.02682	1.6
151.02852	1.6
159.11714	2.2
161.09602	6.9
161.13243	21.5
163.11162	2.1
171.11699	39.7
189.12740	18.5
207.13800	19.5
220.72862	1.3
221.08025	1.2
225.14865	2.0
263.20132	1.6
281.17490	78.5
282.17783	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2475
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05514	46.5
57.07072	40.7
66.87088	5.6
67.05505	38.0
69.07071	100.0
71.08633	23.8
71.32726	9.7
76.91094	6.4
79.05514	17.8
81.07065	65.2
83.04976	5.9
83.08612	58.3
85.06561	9.4
91.05480	12.8
93.07040	27.5
95.08603	60.1
97.06543	10.0
97.10179	54.6
105.07014	14.7
107.08604	21.2
109.10149	30.4
111.08092	8.1
111.11729	27.0
119.08578	23.4
121.10143	20.9
123.11726	16.3
123.27081	6.1
125.09594	7.5
125.13256	7.7
125.32034	6.2
133.10147	26.7
135.11696	21.0
141.09200	6.8
147.11687	20.5
149.02347	7.6
149.13269	14.1
150.02672	13.6
151.02827	12.9
161.13284	12.8
163.14851	9.0
165.12733	10.3
170.77811	5.9
175.14819	10.3
179.14391	8.5
189.16338	10.1
193.15919	6.8
221.22704	16.0
245.22641	37.6
263.23755	38.3
265.25082	8.8
281.15237	6.7
281.18860	13.4
282.27939	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01858	2.7
55.05500	1.4
56.05037	1.2
56.96561	1.9
57.03417	3.7
61.02928	6.6
69.03425	9.8
70.06588	2.7
71.58419	1.6
72.08131	1.1
72.13201	0.9
73.02905	2.3
75.53911	0.9
79.05518	1.0
81.03403	4.7
81.07075	1.3
82.54880	0.9
84.04472	2.2
84.08143	24.5
85.02908	54.2
85.06079	1.2
85.06548	23.3
87.04464	1.5
91.03938	4.5
91.05472	3.8
91.31956	1.0
93.07055	1.1
95.08562	1.1
97.02885	12.4
99.04443	3.1
100.99490	1.2
103.07578	5.5
105.07008	2.1
107.04952	1.8
109.02879	3.8
109.06495	1.4
112.07608	1.5
115.03899	1.3
116.98608	1.4
117.07024	2.4
118.32723	0.9
119.08594	3.1
121.06496	1.1
123.04387	1.2
127.03912	16.2
129.06982	3.7
130.06496	1.1
131.08583	1.6
133.05113	1.0
133.06429	1.5
133.10059	1.1
134.05997	1.0
134.09621	2.3
134.99651	1.2
136.06189	29.1
137.05983	3.8
143.08571	3.4
145.04961	25.6
145.06183	1.7
145.10085	1.5
146.09639	2.8
147.04442	1.3
147.08031	3.5
148.07561	2.3
150.07759	2.7
151.06224	3.0
152.05663	6.8
152.06876	1.4
154.72101	1.1
157.06476	2.7
159.07991	1.1
160.05165	2.4
161.04707	1.4
161.05963	2.3
161.09589	2.1
162.05496	3.9
162.12773	1.4
163.06049	9.2
163.07323	1.9
164.07031	1.7
165.09105	1.7
171.08041	2.2
172.11198	3.5
173.05974	1.3
174.09152	2.8
175.07542	6.8
176.07050	4.2
176.12709	1.1
177.00769	1.3
177.07848	16.0
177.09270	1.8
178.07245	1.8
180.05165	2.4
188.07500	1.1
189.09209	5.1
190.12257	3.6
191.08510	1.4
192.04297	1.2
193.08521	2.6
200.10707	4.1
200.54648	1.5
201.09128	2.5
203.07312	1.2
203.09386	1.2
204.10165	1.8
206.11763	100.0
207.12166	1.7
218.11783	9.7
219.08015	1.2
220.09673	6.1
220.13393	1.2
229.10735	3.7
236.12698	1.2
246.11305	3.4
249.13644	2.3
264.12344	7.5
264.15936	1.9
265.07129	2.2
282.08627	8.6
282.13348	70.6
282.16507	7.1
282.22079	2.5
282.27780	1.3
283.07446	1.7
283.13498	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03942	7.0
53.60654	2.2
55.01855	5.8
55.05262	3.0
55.05509	38.2
57.03442	28.1
57.07064	3.2
65.03934	4.2
67.05505	93.0
69.03436	2.1
69.07068	25.4
71.04989	3.2
71.08608	2.5
71.13406	4.4
73.86829	2.4
79.05493	100.0
79.05965	4.9
80.00748	1.9
81.03425	16.6
81.07060	71.9
83.04982	35.7
83.08624	14.5
85.06538	4.0
89.76077	2.4
91.05484	71.7
93.06466	4.1
93.07049	73.1
95.04967	32.4
95.08614	47.9
97.06518	6.1
97.10149	6.6
103.05489	2.4
103.83079	2.1
105.06383	4.0
105.07034	52.1
105.19199	2.8
107.04948	12.8
107.08599	29.2
109.06529	9.2
109.10152	7.6
111.08068	4.8
115.05447	2.5
117.07020	12.3
119.08585	34.7
121.06543	4.9
121.10123	6.7
123.08086	7.9
129.06995	20.1
131.08542	3.9
133.10149	13.9
135.11726	2.9
137.08194	2.2
143.08562	12.1
145.10091	12.8
147.08020	3.8
147.11693	52.3
152.23466	2.2
161.09648	5.4
161.13260	16.7
168.13588	2.5
171.11697	43.6
181.87442	2.4
189.12741	15.5
207.13826	18.4
230.37781	2.5
281.17465	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.82386	2.3
53.03932	8.3
55.01867	4.1
55.05272	3.0
55.05512	28.8
57.03437	31.5
57.07067	2.9
65.03936	5.2
67.05503	75.5
69.03439	2.3
69.07071	17.2
70.71404	2.2
70.71758	6.9
71.04996	4.0
74.70860	2.0
79.05492	100.0
79.58816	2.5
81.03420	16.5
81.07058	64.5
83.04977	38.2
83.08612	8.3
85.02861	2.7
85.06539	3.1
91.05479	67.4
93.07044	70.4
95.04959	30.5
95.08610	38.5
97.02888	3.6
97.06512	6.0
97.10163	6.8
99.04423	3.2
105.07033	53.7
105.64624	2.1
107.04942	10.2
107.08608	23.0
109.06514	9.1
109.10164	8.2
114.13144	2.4
115.05479	2.4
117.07037	6.7
119.08583	29.7
121.06522	5.3
121.10146	5.9
123.08070	9.2
127.38448	1.9
129.07008	17.7
131.08569	4.7
133.10117	15.7
135.11725	2.5
143.08533	11.8
145.10100	12.7
147.08022	2.4
147.11687	45.5
149.02362	2.2
149.07664	2.1
151.02879	4.3
158.02351	2.0
159.11726	2.2
161.09630	7.8
161.13260	19.9
171.11671	34.8
189.12733	11.8
207.13779	15.6
265.12289	3.1
275.60132	2.0
281.12833	4.1
281.17487	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18305	0.3
51.02392	0.3
53.03945	0.7
55.05502	0.8
56.02576	0.3
56.44171	0.2
57.03435	0.5
57.07083	2.0
58.07403	0.4
65.15733	0.3
67.05499	1.7
69.07064	0.6
69.74932	1.7
79.05492	9.0
81.03399	0.5
81.07080	1.3
83.08644	0.3
88.72481	0.2
91.05466	2.1
93.07048	1.5
95.04980	1.7
95.08595	0.9
97.06541	0.3
103.05465	6.0
105.07029	97.4
106.07333	0.5
107.04963	1.3
107.08619	0.3
108.05280	0.7
118.06554	0.8
119.08616	0.7
129.07059	0.4
132.08199	0.3
137.27809	0.3
140.29675	0.3
140.76588	0.3
143.57379	0.3
145.10091	0.5
146.09584	0.5
147.10449	0.2
147.11674	1.1
149.01147	0.5
149.02336	8.7
150.01509	0.6
150.02681	9.3
151.02783	0.3
155.58017	0.3
168.03760	0.4
171.11676	0.6
176.14359	5.4
189.12808	0.4
207.13840	0.5
210.06314	0.4
238.05774	1.9
280.06873	0.8
280.20599	100.0
281.17474	1.5
281.20880	1.4
302.62408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1544
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
55.01875	0.6
61.02643	0.5
61.02925	5.4
70.10332	2.2
84.08141	3.8
87.04456	1.3
91.05479	1.9
96.25662	0.4
98.20798	0.4
105.07015	2.5
117.07013	0.8
119.08580	1.4
121.06523	0.4
126.51636	0.4
128.06268	0.7
129.07011	4.6
129.93159	0.4
131.04897	0.6
131.08566	2.7
132.05692	0.9
133.06531	0.8
142.07765	0.9
144.05704	0.8
144.86513	0.4
145.10107	1.1
147.04408	0.6
147.08044	5.7
149.02342	1.1
149.05980	1.3
149.09601	0.8
150.02666	1.2
157.06493	2.5
157.10129	1.9
159.08037	3.2
160.05199	2.8
161.06020	2.4
167.08588	0.6
173.09589	1.4
174.06776	0.6
174.12767	2.1
175.07561	9.9
177.09102	4.1
185.09583	1.5
187.07553	1.0
189.09106	2.0
191.10649	1.4
195.08087	0.6
201.09135	1.0
202.12305	1.6
203.07050	1.7
203.10594	2.1
205.08620	1.7
213.09070	1.1
217.25452	0.5
219.10173	2.1
230.09802	0.5
230.11751	2.9
231.10086	0.9
244.13333	1.4
245.11697	0.6
248.12836	2.0
262.14401	4.9
263.12753	0.8
280.15433	100.0
281.15805	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	280.1544
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
55.01861	0.5
61.02921	6.9
61.40574	0.4
71.04037	0.9
71.04373	0.6
76.65760	0.6
84.08131	3.3
87.04450	0.7
91.05469	1.9
105.07037	2.3
107.08572	0.6
115.05415	0.7
115.73781	0.4
117.06966	1.2
119.04951	0.4
119.08595	2.9
121.06541	0.5
128.06267	0.9
129.06999	5.7
131.04880	0.4
131.08575	2.2
136.07578	0.6
142.07753	1.1
145.10124	0.7
147.04366	0.6
147.08054	5.9
149.02315	1.4
149.05959	0.7
149.09608	1.2
150.02666	1.5
157.06534	2.8
157.10133	1.0
159.08098	2.6
160.05209	1.8
161.06021	2.5
161.09499	0.7
165.09129	0.6
167.08511	0.5
170.07196	0.6
173.09598	0.8
174.06848	0.6
174.12801	1.5
175.07545	11.2
177.05548	0.4
177.09114	3.9
179.07079	0.6
185.06059	0.7
185.09607	1.8
187.07498	1.0
187.11351	0.5
189.09076	1.8
190.06253	0.6
191.10651	2.1
192.41965	0.5
195.08066	0.8
199.02625	0.5
200.53772	0.5
201.09172	0.7
202.12289	1.8
203.07021	2.3
203.10612	2.0
205.08609	1.3
213.09071	1.3
216.07864	1.0
219.10153	2.0
230.11665	2.3
231.10220	0.8
244.13335	1.5
245.11699	0.8
248.10504	0.6
248.12868	6.1
262.14398	4.3
263.12766	0.6
280.15433	100.0
281.15656	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	280.1545
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
53.75297	1.0
55.05506	1.5
56.96546	1.2
57.03408	1.3
57.07082	5.6
67.05490	2.6
69.07057	3.0
70.86122	1.7
70.86463	1.9
79.05476	2.7
80.05007	2.4
81.07043	3.7
81.19610	0.9
83.04954	1.5
85.06507	2.3
91.05470	3.7
93.07046	3.1
94.06570	2.5
95.04948	3.0
95.07345	3.0
95.08605	2.6
97.06507	3.3
98.97595	3.8
105.06999	2.8
106.06538	1.0
107.08636	1.5
108.04455	1.1
109.10142	1.2
116.17711	1.0
116.98617	2.6
119.04848	1.1
119.08577	1.8
120.08075	3.9
121.06546	2.0
121.10129	1.7
121.88134	1.0
122.06023	12.9
123.06808	7.0
123.08082	2.1
127.07558	3.9
131.08484	1.6
132.08087	1.9
133.10117	1.5
134.06012	3.2
134.09633	3.3
134.99654	2.7
135.10402	1.2
136.07610	1.8
137.05968	4.0
137.08344	2.4
145.10091	1.5
147.04312	1.1
148.07576	3.7
148.11165	2.3
149.01175	1.3
149.02344	23.8
149.09619	2.1
150.02679	27.7
150.05508	19.8
151.06288	56.8
152.07037	2.5
158.99643	1.2
159.08099	1.2
159.64641	1.1
160.11150	2.6
162.05423	1.1
163.11206	2.8
164.07066	1.3
165.07820	1.9
174.12810	3.7
176.07088	11.3
177.00755	2.5
200.02182	1.2
202.12280	4.6
203.10742	2.1
220.13327	7.6
230.11696	4.0
234.14919	7.7
244.99707	1.8
248.12816	31.9
262.14319	8.8
263.12769	8.3
280.15442	100.0
281.15732	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	280.1545
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
50.24987	0.4
55.01868	0.5
55.05491	0.6
56.96555	0.4
57.03412	0.8
57.07063	1.6
58.07399	0.6
67.05510	0.8
69.07070	2.4
69.28154	1.2
69.28565	3.4
79.05482	1.2
80.05008	3.5
80.88387	0.4
81.03455	0.4
81.07034	1.1
82.06577	0.6
85.02901	0.5
85.08789	0.4
91.05457	1.3
93.07040	0.7
94.06567	1.9
95.04940	1.5
95.07341	3.7
95.08584	0.5
97.06528	2.5
98.21482	0.9
105.07019	1.4
106.06550	2.5
107.04927	0.7
107.07327	0.4
107.08559	0.5
108.04462	1.0
108.08118	0.5
110.06050	0.4
116.98592	0.8
117.07001	0.5
117.17754	0.4
118.06523	1.1
120.08095	3.5
121.02853	0.4
121.06541	0.4
121.08897	0.7
121.10133	0.4
122.06027	11.3
123.04449	0.7
123.06808	7.4
123.08081	2.2
129.06978	0.5
129.15898	0.4
131.08562	1.3
132.08086	0.8
133.05234	0.5
133.10089	0.8
134.06032	2.7
134.09653	3.4
134.99690	0.8
135.08046	0.7
135.10414	2.0
136.07565	2.3
137.05981	1.8
137.08386	2.9
137.09309	0.6
144.04396	0.7
145.08824	0.6
145.09988	0.5
146.05975	0.6
146.09636	0.8
147.04414	0.6
148.07576	4.2
148.11195	2.8
149.02342	8.4
149.06041	0.6
149.09596	1.5
150.02692	7.5
150.05505	17.9
150.12761	1.0
151.06284	51.9
152.07069	2.4
153.07901	0.7
154.06320	0.7
157.10124	1.6
159.08121	0.5
160.11214	1.5
162.05496	0.8
162.82947	0.4
163.11168	1.9
164.07005	0.4
165.07845	2.9
166.08574	1.0
167.03326	0.4
167.07123	0.7
173.08311	0.5
173.09686	0.5
174.12738	3.6
175.11151	0.7
176.07069	9.7
176.10657	0.8
177.09122	1.0
178.08696	0.5
178.12268	1.1
184.11322	0.5
185.09605	0.5
185.32617	0.5
189.05516	0.5
189.12680	0.7
192.13832	2.8
202.12283	4.7
203.10646	2.0
203.12355	0.4
204.10222	0.6
218.11821	0.5
220.13319	9.0
230.11774	3.4
231.10133	0.8
234.14880	5.7
236.12732	0.5
248.12823	29.7
249.13171	0.8
262.14374	8.7
263.12793	1.6
280.15427	100.0
281.15826	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	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05509	9.2
57.07079	10.7
65.03934	3.3
67.05506	98.0
68.05842	1.5
69.07079	7.5
69.07375	1.5
70.87674	3.3
70.88051	3.3
79.05492	9.7
81.07059	100.0
82.07387	1.6
83.08614	4.8
91.05483	2.9
93.07032	10.4
95.08608	77.3
97.06513	1.8
97.10193	3.5
105.07069	2.0
107.08579	6.1
109.10152	43.8
119.08575	3.7
121.02867	6.0
121.10137	5.5
122.72168	1.6
123.11712	27.0
131.08542	3.2
133.10117	3.3
135.11751	2.0
137.13280	8.1
141.42870	1.5
147.11606	1.8
149.02351	83.8
149.13234	2.4
150.02696	3.5
151.11191	1.6
151.14784	3.5
161.13326	2.0
161.75322	1.5
163.14995	1.8
173.13164	2.4
187.14745	2.3
195.13713	1.8
209.15445	2.6
243.21030	1.8
261.22226	3.0
279.23196	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1543
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
55.01865	1.3
57.03432	1.4
61.02927	9.3
62.81129	0.5
63.38015	0.7
63.97885	0.6
69.03410	2.0
70.94284	1.4
70.94654	1.4
71.04996	0.7
73.02907	1.9
74.47633	0.6
81.03409	0.9
84.08151	4.0
85.02899	4.0
87.04454	1.0
91.05473	3.0
93.07090	0.9
97.02906	1.4
98.51376	0.7
98.97569	0.8
102.79053	0.7
105.07056	4.8
115.05426	1.0
116.06174	0.6
117.07008	1.6
119.01888	2.0
119.08591	5.5
123.57815	0.7
127.03926	1.4
129.07007	7.1
131.08577	3.3
136.06198	0.8
142.07750	0.8
144.05632	1.0
145.05009	0.8
145.06464	1.0
145.10081	1.5
147.04065	0.8
147.06857	1.1
147.08012	7.4
148.07556	2.9
149.02344	2.8
149.05937	1.7
149.09607	1.7
150.02730	3.3
157.06497	2.6
157.10144	2.1
159.08018	4.3
160.05159	3.5
161.02907	0.7
161.05943	4.1
167.08685	0.9
173.03041	0.7
173.09695	0.7
174.12813	2.4
175.07538	12.6
176.07063	1.4
176.10744	6.6
177.09113	5.3
184.52762	0.9
185.02895	0.9
185.09618	2.1
187.07538	1.2
188.10742	0.8
189.09093	2.4
191.10655	2.6
200.04404	2.2
202.12300	2.5
203.06999	2.0
203.10680	2.7
204.10190	15.2
205.08618	2.0
205.10826	0.8
213.09084	1.6
219.10107	1.8
220.13333	0.9
230.11758	3.0
231.10117	0.9
244.13354	1.4
245.05057	1.2
245.11758	0.9
248.12808	6.3
262.14407	5.5
277.07593	0.9
280.15436	100.0
281.15704	3.7
291.71603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.05511	6.4
57.07056	3.3
62.18785	1.0
63.02389	1.0
65.03926	2.5
67.05505	100.0
69.07056	5.8
70.22832	5.2
79.05488	11.9
81.07056	98.8
83.08601	3.6
85.06531	2.3
91.05469	5.0
93.07047	11.4
93.40497	1.1
95.08607	86.9
97.06553	1.4
97.10169	3.2
97.75339	1.2
104.11811	1.1
105.06993	2.5
107.08564	8.3
109.09468	1.8
109.10160	26.9
111.07939	1.1
117.07043	1.4
119.08565	3.1
121.10136	5.1
123.08032	1.5
123.11713	19.0
128.72404	1.0
131.08562	4.5
133.10138	1.7
135.08073	1.4
135.11679	6.1
137.13252	13.2
141.09039	1.4
145.10110	3.4
147.11688	2.4
147.36731	1.2
149.02339	10.3
149.09634	2.7
149.13248	5.6
151.11197	1.4
151.14824	4.4
153.09067	1.5
159.11710	3.9
161.13271	3.0
163.11200	1.6
163.14859	1.9
173.13277	6.6
177.12782	3.0
177.16383	1.3
181.12250	2.6
187.14830	4.5
191.14322	3.3
195.13820	4.9
209.15375	6.9
219.20947	1.2
223.16896	4.2
237.18489	1.8
243.21120	3.5
261.22058	5.5
262.94800	1.1
279.23190	39.3
280.23648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	1.3
55.05512	6.8
57.07058	2.9
65.03925	2.2
67.05506	92.6
68.05814	1.2
69.07076	8.9
70.85245	2.3
71.04994	1.5
79.05497	10.8
81.07059	100.0
82.07388	1.6
83.04945	0.8
83.08621	5.0
85.06525	2.2
91.05465	2.8
93.07056	9.8
95.08609	85.5
96.08913	1.2
97.06507	2.1
97.10144	2.8
105.07010	2.2
107.08596	7.0
107.12865	0.7
109.06552	0.9
109.10159	27.5
111.11693	0.9
116.97412	0.7
117.06992	1.9
119.08575	2.5
121.10133	6.0
123.08031	1.0
123.11709	16.1
127.07533	1.3
131.08595	6.0
133.10139	3.0
135.08011	1.0
135.11728	5.7
137.09628	1.2
137.13251	14.7
141.09077	0.9
145.10109	2.3
147.11679	2.4
148.68570	0.7
149.02356	8.7
149.09608	1.9
149.13243	4.5
151.14789	5.7
159.11681	2.3
161.13261	2.7
163.11165	2.6
163.14854	2.1
165.12807	1.2
165.16364	1.1
167.10652	1.5
173.13277	7.6
177.12752	2.9
179.14305	1.2
181.12213	2.2
187.14818	2.5
191.14279	3.4
195.13788	3.9
205.15813	1.1
209.15297	6.5
223.16997	2.8
237.18512	1.1
243.21080	3.1
260.11578	0.8
261.22195	3.5
279.23187	35.8
279.26282	1.8
280.23499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03933	4.7
55.05518	16.6
57.03431	6.5
57.07068	12.6
63.05147	2.2
64.13239	2.3
67.05173	3.3
67.05504	37.8
68.74055	2.3
69.07073	18.0
70.76697	7.0
71.04990	4.1
71.08611	13.1
79.05069	3.7
79.05496	63.8
81.03434	3.7
81.07063	52.4
83.04990	4.0
83.08599	10.7
85.06530	3.2
91.05479	25.0
93.07048	85.1
93.27906	2.8
95.04971	6.3
95.08613	36.0
97.06540	4.3
97.10186	2.5
99.08064	12.4
105.07027	23.2
107.04961	3.1
107.08596	60.5
109.06505	2.8
109.10171	13.3
117.06993	3.4
119.08578	12.3
121.10143	43.0
123.08054	4.4
123.11673	2.9
129.07010	3.7
131.08522	6.8
133.10135	17.9
135.07991	2.2
135.11697	52.1
135.12698	3.5
137.09563	3.2
145.10120	6.1
147.11684	8.3
149.09673	3.1
149.13275	17.6
151.11177	6.6
159.11685	6.4
160.99713	2.1
161.13287	5.5
163.11250	4.4
167.10634	3.1
168.40733	2.3
171.11693	3.1
173.13260	3.2
175.14758	2.4
177.12775	3.5
178.30060	2.4
179.10686	7.6
179.14362	24.3
185.13129	2.9
187.14827	4.9
195.13779	2.5
205.15886	3.3
221.15312	7.3
235.16899	29.4
238.31290	2.5
241.19388	5.0
255.90569	2.5
259.20520	8.7
266.73187	2.3
277.18054	24.9
277.21622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
53.87335	0.5
55.05505	0.4
57.07077	14.2
65.03938	1.5
67.05504	1.2
69.07064	2.4
71.59064	0.6
72.68816	0.5
79.05473	0.8
81.07052	1.0
84.04507	1.0
85.02921	0.7
86.09709	77.1
87.10046	0.6
91.05483	3.1
93.03403	0.8
93.07039	1.1
95.08611	1.2
97.06535	2.0
98.97598	1.2
103.05466	2.5
105.07015	1.1
116.98631	1.6
119.08578	0.8
120.08109	44.7
121.02865	3.7
132.10158	0.7
132.99033	0.5
133.10124	0.8
134.85989	0.4
134.99684	0.7
137.06009	0.7
137.09622	0.6
143.08516	0.7
149.02348	100.0
150.02707	1.7
166.08638	8.5
167.03453	2.9
169.96011	0.6
177.00714	1.3
178.04985	1.2
189.00644	0.6
190.05028	1.0
196.03560	0.6
205.08601	1.3
206.04555	0.6
218.11824	0.6
220.06117	0.7
233.16420	1.0
249.08777	1.0
258.09326	1.1
262.14249	1.3
279.14053	1.1
279.17020	5.7
280.15390	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03941	1.3
55.05512	8.9
57.03437	1.2
57.07079	6.5
60.95848	0.6
64.46621	0.4
65.03948	2.3
67.05505	92.2
69.07067	9.6
69.46420	1.4
69.46844	3.2
69.58212	0.4
71.04990	2.0
71.08638	0.7
79.05489	10.8
79.19334	0.5
81.07059	100.0
82.07386	1.6
83.04994	0.9
83.08628	5.9
85.06537	1.1
91.05471	4.7
93.07044	11.7
94.07370	0.5
95.04961	0.7
95.08608	83.2
96.08940	0.9
97.06548	1.2
97.10172	4.1
99.08112	0.7
105.07026	4.0
107.08595	8.4
108.08897	0.5
109.06548	1.1
109.10158	45.8
111.11683	1.2
115.07597	0.5
117.07032	1.3
119.08573	3.8
121.02893	1.4
121.10145	9.7
123.08084	1.2
123.11711	24.9
131.08582	3.5
133.10100	2.7
134.99461	0.6
135.08051	1.0
135.11684	4.8
137.09619	1.6
137.13243	10.3
139.11182	0.9
145.10109	3.2
147.11671	3.9
149.02345	34.5
149.09618	1.7
149.13277	3.2
150.02689	1.2
151.11174	1.0
151.14836	3.3
153.00504	1.3
153.09138	0.6
158.03265	1.8
159.11713	2.1
161.13268	2.2
163.11168	1.1
163.14816	2.2
165.12749	1.6
165.16357	1.1
167.03409	1.1
167.10732	1.5
169.54086	0.6
173.13277	4.1
175.14870	1.1
177.12747	1.7
177.16444	0.9
179.14259	1.5
181.12245	1.9
187.14807	2.7
191.14328	1.2
195.13789	2.0
197.15381	0.6
201.16338	1.0
205.15871	1.7
209.15356	3.9
219.21117	1.2
223.16971	3.5
237.18472	1.3
243.21098	3.5
261.22156	5.3
278.64175	0.8
279.13507	2.6
279.23193	64.9
280.23523	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	277.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.6
55.05465	1.6
57.07075	32.8
57.07333	1.9
57.07472	1.3
59.34186	0.4
67.05499	2.0
69.07067	1.9
69.39524	3.8
79.05492	3.8
81.07059	2.6
83.08569	1.2
91.05474	1.9
93.07041	5.1
95.04925	1.3
95.08607	2.3
97.06466	0.4
98.20790	0.8
100.56698	0.4
105.07018	2.0
107.08589	3.8
109.10110	0.7
117.06987	0.6
117.39408	0.4
119.08548	1.1
121.10132	3.1
123.04414	2.6
131.08514	1.0
133.10066	0.9
135.07982	0.7
135.11662	2.9
147.11644	1.1
149.13196	1.3
157.10127	0.4
159.11674	0.6
161.06097	0.4
161.13228	0.5
163.07494	0.9
177.12744	0.8
179.10678	20.3
189.12692	0.4
211.03491	0.4
217.15910	1.4
219.13811	3.4
221.11722	0.5
235.16920	71.9
236.17300	1.6
259.20544	0.6
277.18005	100.0
277.21478	9.2
278.18311	3.9
295.42783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03933	3.1
55.01853	1.0
55.05512	15.8
55.58446	1.0
57.07061	1.4
62.41763	0.9
62.91783	1.0
65.03909	1.1
67.05502	26.9
69.07079	15.9
69.35164	6.0
69.35583	3.5
71.04987	1.5
77.03899	1.3
79.05492	71.6
81.07059	29.8
83.04978	2.4
83.08614	7.7
85.06521	1.7
91.05479	23.0
93.07044	100.0
95.04965	6.9
95.08043	1.7
95.08605	20.5
97.06539	2.7
97.10149	2.3
98.21464	1.6
102.75248	1.1
105.04533	1.5
105.07034	14.4
107.08595	47.2
107.57598	1.2
109.06507	2.0
109.10149	11.3
111.11749	1.1
114.90289	1.0
117.07004	2.3
119.08588	8.3
121.10140	38.5
123.08057	1.0
123.11700	3.1
125.09675	1.1
129.07050	1.8
131.08543	4.1
133.10117	12.0
134.55423	0.9
135.11693	42.3
137.09715	1.2
143.08557	1.6
145.10138	2.4
147.11661	5.7
149.13261	17.6
157.10126	1.3
159.11696	3.1
161.13214	3.4
163.11111	1.2
163.14810	4.1
171.11681	2.1
173.13266	2.3
175.11169	1.4
175.14818	1.2
181.12254	1.3
185.13295	2.6
195.13832	1.3
199.14886	1.9
207.13785	2.3
213.16391	2.1
221.15344	2.6
235.16919	2.6
241.19534	1.2
259.20493	1.5
277.21631	50.6
278.22162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03938	7.2
55.05513	16.3
57.07071	4.0
64.30898	1.7
67.05508	31.5
69.07068	18.5
69.55673	1.7
71.04980	4.0
73.76898	1.9
79.05499	73.2
79.05964	3.8
81.07061	30.8
83.08614	7.7
91.05482	25.2
93.07049	100.0
95.04957	6.6
95.08612	26.4
97.06505	2.9
97.10166	4.4
98.21513	4.2
105.04550	2.2
105.07029	12.9
107.08601	52.9
109.06499	2.1
109.10170	11.0
111.08111	2.3
112.44036	1.9
117.07008	3.7
119.08591	13.0
121.09317	3.0
121.10149	43.9
123.11681	3.0
130.43024	1.9
131.08542	2.4
133.10136	12.8
135.11699	53.2
143.08611	3.1
145.10126	3.9
147.11696	7.5
149.09593	2.2
149.13274	21.2
159.11674	3.3
161.13248	6.0
163.14832	3.9
171.11734	2.0
173.13264	2.2
185.13309	4.2
207.13741	2.2
213.16437	2.2
221.15433	3.4
229.65341	2.1
234.81639	2.2
235.16885	3.5
241.19592	2.4
259.20663	4.3
277.21640	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03933	3.0
55.01863	3.0
55.05266	1.0
55.05514	16.6
56.96580	0.9
57.03456	1.1
57.07078	4.2
65.03938	1.9
67.05505	35.4
68.77631	0.8
69.07072	14.6
69.27647	4.4
69.28082	4.5
70.51927	0.9
71.04995	2.7
71.08624	1.9
79.05495	55.2
81.03419	1.3
81.07059	35.7
83.04971	2.2
83.08618	6.0
85.06532	3.0
91.05481	21.7
93.07047	76.8
95.04971	9.0
95.08607	20.6
97.06522	3.4
97.10163	3.7
98.21511	1.6
99.08086	2.3
105.07037	15.8
107.04940	1.1
107.08600	42.7
109.06509	2.2
109.09457	1.3
109.10161	14.4
111.08072	1.3
117.06999	3.7
119.08595	10.7
121.06486	1.0
121.10146	35.7
121.11028	1.8
123.08089	2.1
123.11707	4.3
125.09635	2.8
129.07008	2.4
131.08568	4.1
133.10127	12.8
135.08032	1.5
135.11693	43.7
137.09610	1.7
143.08553	1.9
145.10110	4.3
147.04353	0.8
147.11694	8.8
149.09749	0.8
149.13258	19.4
151.11186	2.6
157.10149	2.6
159.11682	3.2
161.09665	1.6
161.13261	6.9
163.11205	2.3
163.14792	6.6
165.12747	1.3
171.11714	3.2
173.13240	2.6
175.11252	1.7
175.14835	3.1
177.12784	2.1
177.16386	0.9
181.12195	1.7
185.13286	2.2
189.12675	1.7
189.31084	0.9
195.13814	2.2
199.14871	1.6
201.16499	1.5
203.14400	1.1
207.13866	2.6
213.16400	1.5
217.15945	0.9
217.19472	0.8
221.15387	3.3
231.17435	1.0
231.21063	1.7
235.16951	4.7
241.19527	4.3
244.01360	0.8
259.20593	6.8
277.18442	3.2
277.21631	100.0
278.21918	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.107
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
55.01856	3.3
55.05508	3.6
56.96555	1.0
57.03432	2.5
57.07067	2.5
58.46909	1.0
58.70287	0.8
65.03983	0.8
67.05487	4.1
69.03407	2.1
69.07062	16.1
70.99275	2.7
78.51992	0.8
79.05487	14.5
81.07045	3.1
81.97519	1.0
88.03988	1.5
89.03917	4.2
91.05457	2.7
93.07021	2.4
95.05001	1.1
95.08586	3.0
97.06529	100.0
98.06869	1.0
105.03344	1.3
105.06998	1.6
107.04955	4.8
107.08588	2.5
107.80115	0.9
109.10135	2.1
110.97778	0.8
117.03373	4.5
119.08613	2.0
121.10159	2.0
129.07053	1.1
131.08542	2.3
133.02858	4.6
133.10158	1.4
135.04416	10.8
143.08549	1.0
145.02802	7.7
145.10139	1.5
147.11678	1.0
149.09546	1.2
151.03979	1.9
159.04430	6.4
159.08023	1.1
161.02341	20.8
161.06039	1.1
163.03902	48.4
171.11719	1.0
173.02332	35.8
177.05406	1.4
179.03398	1.8
185.05977	4.0
187.07588	1.5
189.05444	1.5
189.09056	1.3
191.03398	27.4
195.08003	1.0
197.05956	1.5
203.07022	1.8
215.07022	57.8
216.07367	2.2
217.04964	1.9
231.10695	1.3
233.08055	13.2
241.08513	1.9
259.09671	65.7
259.17072	1.8
260.09988	3.6
277.08249	1.0
277.10785	6.9
277.18329	4.1
277.21701	3.7
277.24768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.086
Annotation	6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one
Peak:m/z	Relative Intensity
55.01857	1.0
70.12458	2.1
91.05490	0.7
92.58855	0.4
117.09283	0.5
128.06219	2.2
165.06972	1.2
178.07716	1.5
189.06982	1.4
190.07764	7.2
191.08551	1.5
193.10100	1.4
202.07761	9.6
203.08559	23.0
204.09314	1.7
205.10124	11.0
207.08061	1.3
214.07591	0.5
215.08563	27.7
216.09146	1.7
218.07280	7.0
219.07999	1.1
220.02307	0.5
220.08830	0.4
221.09616	5.6
231.08047	69.5
232.08791	9.5
233.09613	24.2
235.07544	7.7
243.09241	0.8
246.06750	1.2
247.07642	0.8
249.09111	7.0
259.07544	38.0
260.07809	0.8
263.07031	1.5
277.08597	100.0
278.08972	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	277.086
Annotation	6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one
Peak:m/z	Relative Intensity
55.05517	2.0
56.05824	0.6
57.07074	3.1
61.41236	0.4
67.05503	2.6
69.07074	2.1
70.06594	0.8
71.19744	0.9
77.32771	0.4
77.72543	0.4
79.05508	4.2
80.05836	0.5
81.07065	3.0
83.08642	0.9
87.75877	0.4
88.07623	1.3
91.05490	3.2
92.05816	1.3
93.07047	5.2
94.07341	0.7
95.04939	0.7
95.08610	1.7
97.06514	0.5
97.10166	0.5
105.07047	3.1
106.07358	1.9
107.07793	0.8
107.08598	3.3
108.08991	0.5
109.10145	0.5
111.11763	1.1
119.08590	1.9
119.35752	0.5
121.10132	2.1
125.37717	0.4
130.06693	0.4
131.08586	0.9
133.10136	2.3
134.10454	1.2
135.10788	0.5
135.11685	2.1
145.10097	0.9
146.10471	0.7
147.11697	1.3
148.12022	1.1
149.02338	1.7
149.13272	1.1
159.11707	0.8
179.10669	1.6
190.07846	1.2
191.08618	0.4
202.07770	14.8
203.08577	13.0
204.09315	0.8
205.10115	4.4
215.08571	23.3
217.12364	0.7
221.09644	1.6
230.07301	0.5
231.08000	42.1
235.16971	5.3
249.09180	2.4
257.05981	0.8
258.06860	0.7
258.26852	0.6
259.07556	100.0
260.07889	1.1
276.28049	10.6
277.08493	1.1
277.17902	5.5
277.20920	13.0
277.28238	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	277.0857
Annotation	6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one
Peak:m/z	Relative Intensity
53.04171	0.3
55.01873	0.5
55.05511	1.7
56.96552	0.4
57.07074	5.7
58.06593	0.6
58.07191	0.3
58.07410	3.1
58.24849	0.3
59.07753	0.5
62.06054	0.3
62.46451	0.3
67.05496	2.9
69.92284	1.6
70.06590	9.5
71.04988	0.5
71.06921	4.8
71.08630	2.8
72.07251	0.6
72.08965	1.7
75.66432	0.3
79.05486	3.5
81.03416	0.4
81.07049	2.7
83.04977	0.3
83.08607	0.5
85.06517	0.7
85.10190	0.8
86.10506	0.3
88.07635	9.3
89.07953	5.4
90.08004	2.1
91.05483	1.9
91.08385	0.3
93.07039	5.1
95.04958	0.8
95.08620	2.0
97.10157	0.4
98.20786	0.3
98.97569	0.5
99.04464	0.3
99.08079	0.5
102.09176	2.3
103.09509	1.8
104.09657	0.3
105.07036	1.5
106.08665	4.5
107.08538	1.7
107.09038	1.7
108.09106	2.0
109.09482	0.3
109.10155	1.0
111.08069	0.5
116.98601	0.3
117.06966	0.4
119.08622	1.3
121.10159	2.4
131.08556	0.6
133.10118	0.9
134.99680	0.3
135.08051	0.3
135.11691	2.6
135.91254	0.3
145.10126	0.6
147.11694	0.6
149.02322	0.6
149.09590	0.3
149.13254	1.0
151.11163	0.6
159.11656	0.6
161.06087	0.3
161.13240	0.6
163.11156	0.9
165.06964	0.5
175.14882	0.4
177.00694	0.6
185.13174	0.3
189.07021	1.8
190.07755	2.5
191.08507	0.6
199.14848	0.3
202.07765	2.5
203.08578	5.0
204.09355	0.7
205.06488	0.3
205.10115	3.6
206.07295	0.8
207.08009	0.5
210.06552	0.3
214.24440	0.3
215.08566	11.0
216.09242	0.6
218.07271	3.2
219.07996	0.4
221.05977	0.4
231.08037	14.7
231.25189	0.4
232.08826	2.5
232.25421	0.6
233.09607	19.7
234.06738	1.7
235.07530	4.0
235.16982	0.8
238.06215	0.9
245.05936	0.4
246.06699	0.8
249.09155	2.6
253.08630	0.9
256.26361	0.7
257.26620	0.4
258.27008	5.5
259.07535	29.0
259.20581	1.0
259.27478	1.6
262.06320	0.9
263.07022	0.7
266.05734	0.5
276.28033	100.0
277.08588	13.8
277.18320	0.8
277.21689	8.2
277.28287	32.2
281.08109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
71.13258	29.1
84.08140	16.6
90.02925	10.3
107.56823	13.0
110.28735	11.0
113.82873	11.4
187.96466	14.5
199.07504	11.9
277.03156	100.0
277.09109	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98027	9.6
64.63487	10.0
70.87859	29.5
103.36594	9.0
110.17119	9.5
119.32174	9.9
130.41624	10.2
146.95070	9.8
181.12125	10.2
196.76744	11.7
205.72026	9.5
217.91371	10.2
277.03235	100.0
277.06635	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21538	2.1
54.26917	2.0
55.01863	2.9
55.05507	15.5
57.07080	12.5
63.91513	1.8
67.05499	23.7
69.07068	21.3
69.09926	1.9
69.40851	13.2
69.41270	7.5
71.08619	7.3
79.05502	16.8
81.07059	71.2
83.08599	11.1
85.10182	2.6
91.05479	28.4
93.07053	18.8
95.04971	2.2
95.08607	53.9
97.10160	5.4
105.06381	3.7
105.07035	45.9
107.08598	21.1
109.06483	2.6
109.10150	30.8
111.08030	2.0
111.11745	4.4
117.07003	7.8
117.20979	1.8
119.08585	26.1
121.06498	4.6
121.10153	7.5
123.11691	14.5
125.09646	2.1
125.13333	2.2
129.06970	4.0
131.08553	11.2
133.10135	29.8
135.08060	2.3
135.11688	7.3
137.13254	7.5
143.08484	3.1
145.10120	15.5
147.11707	21.7
149.09586	3.6
149.13231	6.4
151.14813	2.4
157.10106	3.6
159.11681	8.2
161.13283	4.2
165.16521	2.9
173.13226	4.2
175.42325	2.2
177.12753	2.8
180.64632	2.1
183.11765	3.2
185.13280	3.0
191.08525	3.1
213.00104	3.1
239.17905	2.9
247.07626	2.8
257.18985	11.7
275.07129	9.8
275.20068	100.0
275.27441	39.4
276.06976	3.5
276.20493	5.9
284.61078	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.71642	1.2
53.03946	2.6
55.01864	2.3
55.05272	1.3
55.05513	18.9
57.03426	1.5
65.03929	1.7
67.05507	16.6
69.07068	9.5
69.87815	7.5
79.05492	14.4
81.07058	20.0
83.04992	1.4
83.08609	5.0
85.06525	1.4
89.54604	1.1
91.05482	51.1
93.07041	13.4
95.04957	2.2
95.08610	13.6
97.06503	1.5
97.10152	5.1
103.05458	3.3
105.07035	90.9
105.72350	1.2
107.08607	10.9
109.06519	2.6
109.10173	4.3
111.08116	1.4
117.07009	11.1
119.08588	39.7
121.06476	1.3
121.10130	3.9
123.08013	1.9
129.07050	1.2
131.08566	16.4
133.10133	46.6
134.10503	1.7
135.08011	1.3
135.11725	2.5
141.06989	1.8
143.08557	3.0
145.10130	18.6
147.10516	1.8
147.11685	27.7
149.09666	1.3
155.08496	1.3
157.10129	2.4
159.11646	7.4
161.13268	5.0
163.11192	1.2
165.12744	1.3
169.10089	1.7
171.11679	3.4
173.13301	3.0
183.11670	3.5
185.13210	2.3
189.12491	1.2
195.67287	1.2
197.13272	1.7
201.12775	1.3
203.14345	1.4
229.19583	1.3
239.17955	3.4
257.19058	12.6
275.07092	2.1
275.09784	12.7
275.20068	100.0
275.27759	2.6
276.20398	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.68171	0.8
53.03941	1.4
55.01860	3.3
55.05511	11.3
57.03429	1.5
57.07076	1.3
62.92160	0.7
65.03938	0.7
67.05505	13.1
69.03414	1.0
69.06769	0.8
69.07069	8.8
70.72530	2.2
71.04983	1.9
79.05489	14.5
81.07055	15.9
83.04968	2.6
83.08630	4.9
85.02876	0.9
85.06538	1.9
91.05479	29.5
92.05802	1.1
93.07043	13.8
95.04949	3.5
95.08611	11.8
97.06518	2.5
97.10140	2.5
103.05433	1.2
105.07026	42.1
106.07390	0.7
107.04941	3.2
107.08592	14.3
109.06516	3.3
109.10151	6.1
111.08099	1.2
114.79750	0.8
117.07008	6.9
119.08578	24.7
121.06483	1.6
121.10148	8.3
123.08068	1.5
123.11708	1.2
125.09625	1.3
127.11238	0.7
129.07027	1.4
131.08568	11.2
133.06406	0.8
133.10123	29.6
134.99626	0.8
135.08029	2.4
135.11687	3.5
137.05969	4.0
137.09581	1.8
139.11102	2.3
141.07001	1.2
143.08527	2.3
145.10115	14.2
147.04460	0.8
147.08090	0.9
147.11688	20.3
149.04918	0.7
149.09631	4.2
149.13261	1.9
151.11171	1.4
155.08568	1.1
157.10109	2.8
159.08008	1.0
159.11719	8.5
161.09636	0.8
161.13231	4.3
163.11133	3.6
169.10091	1.6
171.11664	2.8
173.13210	3.8
175.11093	1.2
175.14870	0.8
177.12749	2.0
179.14348	0.8
183.11717	2.2
185.13309	0.8
187.11259	1.0
187.14870	1.6
189.07043	0.9
190.07759	1.4
191.08661	4.0
191.10054	0.8
191.14305	0.8
193.12311	1.0
197.13290	2.4
201.12846	0.8
202.07755	2.2
202.25319	0.7
215.10735	4.4
215.14301	1.2
218.07243	2.4
219.08061	4.1
227.12622	1.2
229.15990	0.8
229.19524	1.9
231.08023	9.6
232.08353	0.9
239.18004	3.2
245.13699	3.6
247.07527	9.2
247.20610	1.1
248.07755	0.9
257.05771	1.0
257.19028	10.0
274.59793	1.9
275.07013	38.7
275.20059	100.0
276.07416	2.9
276.20361	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03947	1.4
54.25449	1.1
55.01880	5.2
55.05510	14.8
57.03430	1.4
59.04972	1.5
67.05504	20.2
69.07072	9.7
69.24170	0.9
69.90548	3.0
69.90964	3.2
70.06609	1.0
71.04986	3.0
71.23342	1.0
79.05495	21.1
81.03463	1.0
81.07061	18.7
83.04983	2.4
83.08614	5.4
91.03557	0.9
91.05482	30.0
93.07045	17.6
95.04961	4.7
95.08607	12.4
97.06528	5.7
97.10184	3.1
105.07034	47.1
107.04957	13.8
107.08601	16.1
109.06493	2.2
109.10164	8.1
111.08086	1.4
117.07011	8.4
119.08587	26.9
121.06478	2.8
121.10154	8.1
121.98532	1.1
123.08041	1.8
123.11656	2.5
125.09647	2.7
131.08575	11.4
133.10126	26.0
135.08041	5.7
135.11696	2.6
137.09569	1.3
143.08554	2.4
145.10126	12.5
147.08023	1.9
147.11685	18.1
149.09607	18.2
155.08566	1.8
157.10136	2.5
159.11668	6.8
161.13237	4.0
163.11179	2.5
169.10146	1.7
169.12238	1.2
171.11681	1.8
173.09598	1.2
173.11873	1.4
173.13280	3.4
175.14705	1.5
177.12730	1.1
183.11673	1.2
187.11101	1.2
187.13332	1.1
187.14816	1.3
197.13312	2.2
215.14296	1.0
229.06499	1.1
229.19521	3.6
233.15494	1.2
239.17920	3.3
246.98993	1.4
247.20624	2.2
257.06027	1.4
257.18976	12.6
275.07184	4.9
275.20065	100.0
275.27823	8.7
276.20364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
51.66116	0.5
52.46411	0.5
53.03933	1.0
55.05268	0.7
55.05512	10.2
57.03447	0.6
57.07063	0.6
62.88216	0.5
65.03947	1.1
67.05508	10.0
69.03403	0.7
69.07069	5.9
70.14701	1.6
70.15096	0.9
71.04986	1.5
79.05490	9.3
81.07063	10.5
83.04970	1.3
83.08627	5.0
91.05486	31.1
93.07053	10.1
95.04977	1.6
95.08605	7.2
97.06516	1.2
97.10170	2.3
99.08093	0.7
102.21612	0.6
103.05505	1.1
105.07035	58.2
106.07374	1.3
107.08601	11.9
109.06535	0.7
109.10125	2.8
111.08107	1.1
117.07023	6.0
119.08585	25.5
120.08941	0.7
121.10129	2.5
123.07998	0.8
123.11722	0.8
125.09613	1.6
129.07024	0.8
131.08577	9.1
132.09366	0.9
133.10138	37.6
135.11678	2.0
135.39992	0.6
137.09590	0.6
143.08574	1.9
145.10133	15.4
145.11284	1.0
146.10782	1.1
147.11696	26.8
149.09645	1.7
155.08578	0.6
157.10123	1.5
159.11707	4.9
161.09567	0.9
161.13277	3.7
163.11198	1.6
169.10109	0.9
171.11665	2.3
173.13248	2.2
175.14914	1.0
179.10556	0.6
183.11681	1.7
185.13301	1.2
192.33528	0.6
197.13300	1.7
239.17937	3.2
257.05679	0.6
257.19034	9.4
275.06955	1.9
275.20071	100.0
275.27740	3.3
276.20435	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.0
55.01863	3.1
55.05309	0.8
55.05514	9.5
57.03436	1.5
57.07055	1.5
65.03936	0.9
67.05505	13.9
68.33382	0.7
69.03431	1.4
69.07071	7.6
70.01851	3.3
71.04981	1.9
79.05496	11.8
80.06198	0.8
81.07066	16.3
83.04979	4.5
83.08636	4.1
83.78935	0.8
85.06549	0.8
86.91903	0.7
91.05487	21.8
93.07047	16.8
95.04979	3.6
95.08616	12.3
97.06523	2.9
97.10139	2.1
98.20826	1.1
98.69777	0.9
103.05475	1.1
105.07035	33.4
107.04972	3.7
107.08593	10.1
109.06530	5.8
109.10161	4.4
111.08050	1.0
117.07014	5.6
119.08583	20.1
121.06509	6.1
121.10176	5.3
123.08113	3.6
123.11701	1.2
129.06989	2.7
131.08580	11.6
133.06477	1.8
133.10133	22.6
135.08051	2.8
135.11690	2.4
135.73982	0.8
137.09572	1.1
143.08565	2.4
145.06468	1.0
145.10135	12.1
146.10950	1.0
146.86745	0.8
147.08000	1.3
147.11691	14.8
149.09663	4.6
149.13226	1.4
151.11179	1.8
155.08554	1.4
157.10152	2.4
159.08057	1.4
159.11722	8.2
161.09615	1.7
161.13226	3.2
163.11165	2.7
165.12811	1.1
169.10182	1.1
171.11667	2.1
173.09637	1.8
173.13318	4.0
175.11182	2.6
177.12784	1.7
183.11667	2.2
187.11212	1.0
191.14258	1.3
197.13278	1.7
201.12679	1.8
202.07713	1.3
203.08594	1.1
207.13776	1.1
215.14348	1.0
215.17963	1.6
219.13791	1.4
229.19499	2.0
231.07968	1.1
233.15465	0.8
239.18004	3.6
247.07448	1.6
247.20578	0.8
257.19064	10.6
275.06992	6.3
275.20074	100.0
275.27795	5.9
275.62198	0.8
276.20422	2.7
291.57867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03936	1.1
55.01862	1.4
55.05511	12.3
57.07071	1.1
67.05505	11.3
69.07073	4.7
71.03735	2.1
79.05495	10.0
81.07056	11.2
83.04967	1.3
83.08618	4.0
88.03130	0.8
88.07629	2.4
91.05482	26.3
93.07042	8.7
95.04949	1.4
95.08595	7.2
97.06512	1.2
97.10170	3.2
105.07030	48.2
107.08591	9.0
109.10165	3.8
111.08072	1.1
117.07037	4.5
119.08585	22.5
121.06482	1.1
121.07369	0.8
121.10123	3.3
125.09612	1.3
125.92066	0.8
129.07011	1.3
131.08565	8.7
133.10138	30.3
135.08080	1.7
135.11716	1.8
136.07964	0.9
143.08568	2.0
145.10117	14.5
147.11694	22.9
148.11955	0.9
149.09631	2.8
155.08514	1.5
157.10149	1.7
159.11656	5.1
161.13240	3.6
163.11172	1.3
169.10229	1.6
169.38361	0.8
171.11691	3.2
173.13220	2.2
183.11758	1.9
185.13242	1.5
197.13322	2.3
239.17992	4.5
257.18985	8.4
275.07050	1.1
275.20068	100.0
275.27786	18.7
275.34219	1.0
276.20480	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.56772	0.9
55.01845	1.5
55.05512	8.1
56.12501	0.9
57.07064	3.3
61.07069	0.8
67.05514	8.5
69.07085	5.1
70.06591	2.0
71.04972	4.2
71.18697	1.1
71.19014	1.2
79.05492	10.0
81.07053	8.7
83.04993	1.2
83.08596	3.8
85.06535	2.3
87.44847	0.9
88.07630	4.6
89.07963	2.1
91.05481	23.8
93.07035	8.5
95.04951	1.7
95.08606	9.7
97.06525	1.2
97.10149	2.7
102.09205	1.0
105.07027	45.9
106.07356	1.0
106.08656	1.5
107.08595	10.0
109.06503	2.0
109.10147	3.9
111.08077	2.5
117.07024	6.2
119.08578	22.4
121.10143	7.6
123.11692	1.5
125.09656	2.3
128.06204	0.9
129.06921	1.1
131.08568	11.0
133.10124	31.3
135.08028	4.4
135.11710	2.7
137.09584	2.9
141.06973	1.2
143.08539	3.6
145.10129	18.0
147.11687	22.6
149.09589	2.0
155.08604	1.2
157.10155	5.8
158.10852	1.2
159.11714	9.4
161.09622	0.9
161.13252	3.8
163.11186	1.8
169.10098	1.6
171.11699	5.3
173.13229	11.9
174.13957	1.1
175.11180	1.9
175.14862	2.0
177.12700	1.5
179.65118	1.1
183.11673	2.7
187.14830	1.4
191.14355	1.3
197.13213	2.4
199.14764	3.1
201.12721	2.7
213.16298	1.4
217.15903	0.9
229.76891	1.1
233.15564	1.0
239.17982	3.7
245.10382	1.0
257.19019	14.5
257.26614	2.4
275.20059	100.0
275.27756	48.4
276.20374	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	275.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01856	1.9
55.05515	9.9
57.03438	1.4
59.04990	0.7
59.21734	0.6
65.03932	1.1
67.05503	10.3
69.06767	0.7
69.07076	6.9
71.03860	1.1
71.04208	1.0
71.04988	1.9
79.05495	11.6
79.32111	0.6
81.07059	13.1
83.04970	2.4
83.08619	3.0
85.06522	1.3
91.05479	30.6
92.05819	0.7
93.07055	10.9
95.04955	2.7
95.08614	7.0
97.06520	1.7
97.10168	2.5
103.05456	0.7
105.07031	47.6
107.04939	1.5
107.08600	9.2
109.06519	1.9
109.10145	2.9
110.61772	0.7
111.08060	0.8
113.06012	0.7
117.07018	7.2
119.08584	24.0
121.06509	2.2
121.10133	4.8
123.08069	1.6
125.09593	1.0
129.07005	2.3
131.08572	10.7
132.09296	0.7
133.10133	29.0
134.10555	0.8
135.08066	1.0
135.11678	2.0
137.09608	1.7
143.08566	2.0
145.10118	14.1
147.11696	20.8
149.09596	2.7
149.13292	0.9
151.11185	1.0
155.08531	1.4
155.10626	1.4
157.10141	2.6
158.43431	0.7
159.11717	6.6
161.09604	1.4
161.13312	3.5
163.11217	1.6
171.11728	2.9
173.13307	3.0
175.11162	1.2
177.12830	1.0
179.10616	0.7
183.11682	2.1
185.13293	1.2
191.14299	1.2
197.13342	1.1
203.14275	0.7
215.14340	0.8
229.19574	1.1
231.08124	1.3
239.18024	2.7
247.07460	1.0
247.11284	0.9
247.20567	0.9
257.19022	8.8
275.07010	5.3
275.20074	100.0
276.20511	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.1
53.50695	0.5
55.01860	1.5
55.05272	0.5
55.05513	8.3
57.03426	1.9
57.07062	1.1
59.05009	0.6
65.03926	0.5
66.49645	0.4
67.05502	10.0
69.07070	6.0
69.66703	3.1
70.90559	0.4
71.04980	1.3
78.72554	0.4
79.05056	0.7
79.05492	10.1
81.07058	10.2
83.04972	1.3
83.08620	5.3
85.06531	1.2
87.74966	0.4
91.05479	27.8
93.06471	0.8
93.07038	10.5
95.04966	2.0
95.08605	6.8
95.47441	0.4
97.06518	1.7
97.10150	2.0
99.08019	0.5
99.16529	0.4
102.43027	0.4
103.05463	1.1
105.07029	46.6
107.04956	1.0
107.08578	8.0
109.06499	1.3
109.10155	3.4
111.08059	0.9
113.05983	0.4
117.07020	6.3
119.08582	25.2
121.06522	1.0
121.10123	3.4
123.08040	1.2
123.11750	0.6
127.07630	0.5
129.06992	2.2
130.07802	0.5
131.08565	8.5
132.09129	0.4
133.10130	27.6
134.10419	0.7
135.08020	0.9
135.11697	1.8
137.09647	0.6
141.07039	0.9
141.09073	0.5
143.08510	2.2
145.10115	13.6
145.11256	0.7
147.11682	25.0
149.09612	2.7
151.11125	0.7
155.08562	1.1
157.10150	2.3
159.11690	10.0
161.09561	0.8
161.13266	5.4
163.11169	1.3
163.73450	0.5
169.10129	1.4
171.11667	2.4
173.13289	3.7
175.11093	0.9
179.10675	0.5
181.12305	0.6
183.11670	1.7
185.13237	3.2
187.11038	0.5
190.07838	0.4
191.08482	1.2
197.13243	1.9
197.84029	0.4
201.12775	0.7
201.16411	0.6
202.07683	0.6
203.08546	1.8
203.14328	2.6
204.09314	4.1
205.12262	0.6
211.14903	0.8
215.08614	2.4
215.17946	0.5
216.09280	0.6
219.08203	0.8
219.11908	0.9
219.13768	0.8
219.17392	0.9
229.06494	0.5
229.10123	1.0
229.15913	0.7
229.19545	1.0
231.08063	4.1
232.08829	5.8
239.17952	3.6
247.07484	1.3
247.11189	19.8
247.16698	0.6
248.11549	1.3
257.06210	0.7
257.19019	10.1
275.07050	7.8
275.10635	17.0
275.20056	100.0
275.27765	2.6
276.11032	1.4
276.20337	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	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03950	0.9
55.01865	2.1
55.05513	10.5
57.03430	1.4
66.21719	1.0
67.05507	10.0
68.20970	0.9
69.07073	6.5
70.54924	3.1
71.10023	0.8
79.05495	10.3
81.07051	11.6
83.08624	5.5
91.05483	26.9
92.17182	0.9
93.07050	9.5
95.08611	8.9
97.06540	1.2
97.10171	2.1
103.05409	1.3
105.07030	55.5
107.08592	8.6
109.06524	1.0
109.10157	2.4
117.07014	7.1
119.08583	24.4
119.20316	1.0
121.10137	3.2
121.99490	0.9
123.11639	1.1
129.06990	1.6
131.08563	8.9
133.10132	32.0
135.11674	1.8
143.08572	1.6
145.10139	13.1
147.11685	28.1
148.11981	1.1
149.09598	2.1
157.10132	2.0
159.11679	8.2
161.13266	3.8
171.11667	1.8
173.13304	1.8
183.11755	1.5
184.09808	1.1
185.13283	2.4
197.13274	1.6
239.17976	3.8
257.19022	8.1
275.07037	1.5
275.20059	100.0
276.20441	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0375
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
50.05286	7.5
51.42957	8.2
55.17434	7.7
56.05005	7.8
56.96561	13.2
57.03424	9.6
58.12811	8.4
59.75931	7.7
69.03438	8.8
69.07063	13.2
70.06612	17.3
71.04973	10.3
71.59218	20.1
79.05494	10.4
80.60236	8.1
81.03422	10.6
81.07064	7.5
84.08144	8.2
85.02867	10.1
86.09706	23.2
87.05580	14.8
88.03970	18.6
91.05464	8.5
93.07040	11.6
95.06089	11.4
95.08579	9.9
95.37009	8.7
96.00130	8.9
97.02919	8.8
98.97593	15.5
113.07106	9.7
114.05499	10.0
116.07111	9.8
116.98625	24.1
119.08580	11.0
123.05545	10.1
134.99699	13.3
143.62009	9.7
215.01511	13.1
257.02704	91.2
257.15106	10.1
263.75015	8.8
275.03580	66.8
275.11005	100.0
275.16782	10.5
275.19913	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.00221	0.9
53.03939	1.1
55.01872	13.5
55.05512	12.6
57.03430	1.5
57.07071	1.2
65.03928	1.3
67.05508	15.4
69.03408	1.2
69.07068	10.3
71.04984	1.7
71.33583	2.2
79.05490	15.8
81.07059	19.4
83.04969	2.9
83.08617	5.7
85.06534	1.1
91.05480	29.5
93.07044	15.7
93.79853	0.9
95.04951	2.7
95.08611	10.2
97.06527	19.9
97.10160	2.0
103.05460	1.2
105.07034	44.5
107.04952	6.5
107.08601	12.2
109.06503	2.8
109.10151	5.0
111.08095	1.1
115.05432	1.4
117.07030	8.3
119.07793	1.6
119.08588	23.0
121.06478	1.9
121.10121	6.3
123.08112	2.2
123.11643	1.5
129.07082	2.2
131.08574	11.1
133.10135	28.6
135.08052	2.9
135.11668	4.5
137.09610	2.0
140.15996	1.0
141.07021	2.0
143.08569	1.7
145.10114	14.5
147.11687	22.0
149.09601	5.7
149.13243	1.1
151.11179	2.3
157.10152	2.5
159.11685	5.9
161.13229	4.4
163.11194	3.4
163.14819	1.0
165.09113	1.5
169.10110	1.5
171.11742	3.1
173.11906	1.0
173.13255	4.2
184.32797	0.9
187.11215	1.2
191.08620	1.5
191.14290	1.1
215.18091	1.4
229.19609	2.5
239.17874	3.5
247.07483	1.4
247.20583	3.2
257.19067	9.2
275.07059	6.0
275.20065	100.0
275.27798	3.7
276.20493	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	273.2576
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05498	19.9
67.05516	32.2
69.07073	30.2
70.15552	89.6
79.05500	16.4
79.94193	17.3
81.07050	49.3
93.07043	42.9
95.08591	49.3
98.20870	23.9
107.02820	15.7
107.08625	43.8
109.10168	54.8
119.04902	26.5
121.10159	36.6
123.11739	32.0
124.73927	16.4
132.21991	15.5
135.11728	28.1
147.04425	40.6
149.13290	38.6
153.01895	100.0
163.14867	21.4
217.19569	26.0
273.07642	77.8
273.25650	90.9
278.09189	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	1.0
55.01877	4.5
55.05265	0.7
55.05511	10.6
57.03441	7.9
57.07063	1.3
59.04993	0.6
60.67428	0.6
64.23721	0.6
65.03916	0.7
67.05505	11.4
69.03426	0.8
69.07077	7.0
69.78892	3.0
71.04986	1.8
79.05071	0.7
79.05498	10.7
81.03418	0.6
81.07057	11.1
83.04970	1.7
83.08620	4.8
85.06528	2.4
91.05479	24.7
93.07040	7.4
95.04958	2.0
95.08606	5.9
97.06521	1.8
97.10168	2.3
103.05467	1.9
105.07034	18.9
107.04947	2.5
107.08584	5.4
109.06520	4.1
109.10143	2.6
111.08050	1.0
115.05469	4.2
116.06242	2.8
117.07020	25.1
119.04948	2.2
119.08584	18.7
119.63103	0.7
121.06516	1.9
121.10141	3.0
123.04417	0.9
123.08057	1.5
125.05987	0.6
125.09641	1.1
128.06265	3.0
129.07011	12.6
130.07776	5.0
131.04944	0.7
131.08572	30.6
132.05679	1.1
133.06491	2.5
133.10136	4.8
135.08060	5.1
135.11705	0.8
137.05972	0.9
137.09572	0.6
141.06976	1.4
142.07793	2.0
143.08554	13.8
144.09358	1.9
145.06488	1.8
145.10118	35.8
147.04427	2.1
147.08051	14.4
147.11665	1.1
149.06026	0.8
149.09586	1.9
151.11217	0.6
153.01822	4.7
153.07007	1.3
155.08556	3.2
156.09377	1.0
157.10123	14.9
159.08075	4.6
159.11694	13.1
161.09608	7.1
161.13240	0.8
163.11223	1.1
167.08568	1.3
169.10136	2.3
171.08060	0.8
171.11670	5.6
173.09625	2.1
173.13194	2.7
175.11206	5.8
181.06456	0.9
181.10068	1.3
183.11653	3.2
185.09583	1.6
185.13287	1.1
187.11185	1.4
189.12685	0.7
191.41054	0.6
193.12257	0.7
195.11665	2.2
199.11180	2.1
199.14821	2.9
201.12775	2.9
209.13245	1.2
213.12862	0.8
213.16466	0.8
217.12480	0.6
217.15907	10.4
227.14406	0.7
227.17960	2.0
237.16408	5.4
241.08575	0.6
245.18893	1.4
255.17432	9.3
273.07156	3.4
273.18500	100.0
274.18829	1.4
288.10754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.45994	1.1
54.38850	1.2
55.01863	1.6
55.05503	6.0
57.07070	3.1
62.63043	1.3
63.29520	1.3
65.03941	2.9
67.05171	2.1
67.05507	36.0
67.58473	1.2
69.03429	5.0
69.07066	14.4
69.70293	9.9
71.04980	3.5
74.05510	1.3
79.05505	13.6
80.73582	1.1
81.03416	1.8
81.06694	1.1
81.07069	11.8
83.04953	2.7
83.08625	1.5
85.02916	1.7
85.06528	1.9
85.69405	1.4
91.04964	2.5
91.05485	28.9
93.07031	11.6
95.04958	5.9
95.08593	6.0
95.09154	1.4
97.06502	2.6
97.16143	1.2
98.97588	1.6
103.05455	1.8
105.07028	23.2
107.08607	11.9
109.06522	17.5
109.10163	7.3
111.08099	2.8
117.01485	1.3
117.07010	5.1
119.04947	14.9
119.08584	21.4
121.10136	12.7
123.04382	1.6
123.08069	2.9
127.03957	1.6
128.06203	3.2
129.07005	7.3
130.07751	3.3
131.08574	12.1
133.06459	10.3
133.10136	9.7
135.08061	7.9
135.11658	1.8
137.05975	40.7
137.09595	6.0
141.07028	3.5
142.07805	7.4
143.08563	15.8
145.10123	18.1
147.04407	24.1
147.06830	2.2
147.08025	2.8
147.11720	8.0
149.09583	6.8
153.01822	15.1
155.08556	9.7
156.09332	10.1
157.10133	22.5
158.10857	1.6
159.07999	3.2
159.11687	8.7
161.09624	4.7
165.07059	2.7
166.07796	2.1
167.08554	6.0
167.10681	2.5
169.10132	14.6
170.10895	4.4
171.11700	19.3
173.09622	14.6
173.13248	5.8
173.78934	1.7
174.10426	3.9
175.11185	7.8
180.09401	2.2
181.10139	7.1
182.10890	8.8
183.11725	7.1
184.12456	1.9
185.09619	3.3
185.13234	6.9
187.11223	3.1
187.14825	2.7
189.12733	12.4
193.10152	1.9
195.11678	6.0
196.12495	4.3
197.13264	31.4
198.13989	4.4
199.11203	14.8
207.11696	4.8
208.12332	2.4
209.13234	3.5
211.14824	14.4
212.15617	8.6
213.12813	4.5
213.16379	23.4
214.13356	2.0
215.14294	9.1
217.12263	4.7
222.14076	4.2
225.12733	2.2
227.14293	9.9
227.17900	1.6
229.15945	7.9
230.16553	2.4
231.17494	4.3
237.16409	6.8
240.15111	4.2
245.05983	1.6
255.17448	46.3
273.07635	12.2
273.15051	5.7
273.18497	100.0
274.09576	5.4
274.18613	2.0
280.58374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20823	0.9
55.05519	1.9
56.05023	1.4
56.96567	4.7
57.03428	2.2
67.05508	1.5
69.03427	2.1
69.07101	0.9
70.06581	3.3
71.04981	1.2
71.08617	0.8
71.10252	2.4
72.08149	1.4
73.02905	2.0
73.06578	1.0
79.05487	2.2
81.03380	0.8
81.07066	9.1
82.05262	0.9
82.06605	1.0
83.06113	8.7
84.08146	1.2
84.96063	0.9
85.02894	4.1
86.09710	1.2
88.04013	0.8
93.04535	5.6
94.06573	3.0
95.06089	13.1
97.02888	2.9
98.06045	1.2
98.97567	2.1
109.02843	2.4
110.07169	85.6
111.05544	2.6
112.07620	1.7
112.08685	2.9
116.07066	1.3
116.98562	1.5
119.01820	1.1
123.06683	2.5
124.07590	11.6
126.05526	1.7
127.03902	1.4
129.10155	1.0
129.87321	0.9
134.06030	1.4
134.99731	1.7
140.05553	1.2
140.06978	0.9
140.09349	1.3
142.08580	1.9
146.99683	1.1
147.04413	1.5
152.07085	0.9
153.01823	2.9
155.04628	2.6
156.07674	10.6
161.01183	2.0
162.05472	1.7
163.03903	1.4
163.12332	7.1
164.05139	1.9
165.07387	1.3
165.16379	0.8
168.06552	8.9
169.04930	1.8
182.03342	1.0
186.07625	11.0
190.13350	2.3
191.03905	1.6
193.13313	1.0
208.06027	1.4
208.14484	13.1
210.15913	1.0
211.14302	1.3
212.07555	1.2
215.72809	1.0
226.15520	22.0
227.06827	2.7
227.13902	1.3
228.17067	1.1
236.05527	2.0
237.02867	1.4
254.06535	2.8
254.15001	18.3
272.06293	3.7
272.09216	8.6
272.16055	100.0
273.07642	3.4
276.88437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2212
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05504	5.1
57.07069	1.3
67.05496	7.9
69.07065	4.5
70.41234	4.6
71.05003	9.6
79.05494	4.1
81.07056	24.9
83.08600	1.4
85.06535	2.2
91.05471	7.8
93.07040	12.1
94.36272	1.3
95.04981	3.1
95.08604	18.4
97.06541	1.7
97.10171	1.7
105.07027	23.9
105.07664	1.7
107.08595	15.7
109.06527	5.2
109.10174	6.8
111.08092	13.4
113.09669	5.1
117.07043	4.5
119.08577	40.0
121.10146	15.2
123.11685	7.5
131.08575	14.5
133.10138	8.8
135.11717	3.3
137.09651	2.4
139.11189	1.7
143.08549	5.8
145.10126	18.0
147.04376	2.9
147.11673	8.9
149.13313	3.7
151.07616	1.2
153.01833	7.0
157.10139	9.4
159.11696	36.7
161.13261	7.0
163.11253	1.9
163.14865	3.6
171.11716	6.1
173.13269	10.7
175.14851	5.6
177.12782	5.8
179.14343	2.7
185.13297	7.2
187.14873	4.8
189.16411	5.2
190.89374	1.3
199.14786	12.2
202.07863	4.8
203.14328	2.1
203.18034	1.8
213.16382	7.8
215.08517	1.4
215.17950	49.2
217.10127	11.9
217.15932	2.4
226.07848	3.9
227.08636	4.8
227.17938	2.1
228.08972	1.5
229.19490	8.2
245.09642	3.4
245.49399	1.2
255.07977	8.1
255.21088	42.5
258.06842	2.1
273.09164	100.0
273.18741	4.4
273.22119	69.9
274.09518	9.9
274.22501	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03926	1.9
55.01867	2.8
55.05515	9.0
56.96557	2.5
57.07081	2.4
60.83211	1.9
65.03938	3.2
67.05510	20.9
69.03419	3.1
69.07087	12.4
69.95200	5.3
69.95597	3.2
70.18605	1.8
71.04986	3.4
76.04140	1.7
79.05507	11.9
81.07063	14.8
83.04973	3.4
83.08611	3.7
85.06539	3.1
91.05474	26.1
92.05840	2.5
93.07045	13.6
95.04974	6.7
95.08615	9.8
97.06535	9.6
97.10149	1.8
98.21438	2.6
98.97551	2.3
101.98049	1.9
105.07028	24.1
107.04948	4.4
107.08595	10.8
109.06505	11.5
109.10137	7.8
111.04444	3.8
111.08074	2.9
115.05402	2.0
116.98612	4.2
117.07019	13.1
119.04932	19.0
119.08589	28.1
121.06521	2.4
121.10146	8.8
123.04462	2.4
123.08035	4.3
127.03902	4.5
128.06189	4.4
129.06960	7.4
131.08574	22.2
133.06516	10.9
133.10141	11.7
134.99660	3.3
135.08055	7.5
135.50952	1.7
137.05997	19.4
137.09581	2.0
141.06987	6.6
142.07774	6.3
143.08543	21.7
145.06464	3.9
145.10149	24.8
147.04416	49.4
147.06859	4.2
147.08040	9.0
147.11659	7.1
149.09622	5.8
153.01834	29.8
153.06859	2.8
155.08551	7.8
156.09348	9.7
157.06413	2.3
157.10106	20.5
158.10876	2.9
159.08096	3.5
159.11710	9.1
161.09630	8.7
163.11269	2.8
165.06963	2.1
167.08585	4.0
169.10120	12.8
170.10896	3.8
171.11691	21.3
173.09612	10.2
173.13301	5.4
175.11212	7.1
177.00754	3.1
177.09064	2.3
179.08530	2.3
181.10088	3.8
182.10927	6.8
183.11732	5.5
185.09581	5.7
185.13258	5.3
187.11171	3.2
187.14885	3.3
189.12752	8.2
191.10681	2.3
194.10992	2.3
195.11627	9.1
196.12531	3.3
197.13266	21.7
199.11131	9.5
201.12889	2.0
202.07648	2.6
207.11766	2.4
209.13322	4.2
211.14864	19.2
212.15553	6.8
213.12776	5.1
213.16350	15.0
215.10704	3.4
215.14291	5.7
217.12148	2.3
225.12724	2.7
227.14297	5.9
227.17859	2.6
229.15887	3.5
231.17462	3.5
237.16313	9.1
240.15100	3.6
245.05983	3.8
255.17470	42.4
273.07465	21.9
273.13998	3.9
273.15448	3.1
273.18500	100.0
273.25714	2.5
274.09714	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	273.0911
Annotation	7,8-Benzoflavone
Peak:m/z	Relative Intensity
50.50836	0.3
52.95556	0.3
57.02003	0.3
57.78739	0.3
59.34837	0.3
59.63943	0.4
71.05077	0.5
71.05406	0.6
103.28458	0.4
115.24108	0.3
119.04993	0.4
134.79715	0.4
147.04405	0.5
153.01814	1.3
156.04243	0.5
202.07790	5.4
205.06508	0.4
209.23453	0.4
215.08606	1.8
216.09395	0.6
217.10138	11.7
226.07780	3.6
227.08527	4.7
231.07903	0.4
239.08345	0.4
244.08856	0.5
245.09637	3.4
254.64301	0.4
255.08041	8.6
256.08771	1.0
258.06720	1.6
259.03262	0.4
271.07660	1.6
272.08197	0.5
273.09109	100.0
274.09448	2.4
293.78802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	p-Coumaroyltriacetic acid lactone
Peak:m/z	Relative Intensity
50.01606	0.1
51.02367	0.1
53.03950	0.1
55.01868	0.1
57.03427	0.1
63.02354	0.1
65.03922	0.7
65.04220	0.1
67.01863	4.7
67.05496	0.3
68.30644	0.1
69.03419	0.1
69.07067	0.6
70.17943	0.2
71.04990	0.6
71.61770	0.1
79.05498	0.1
81.03415	0.4
81.07052	0.1
85.02901	0.4
86.96214	0.1
91.05476	10.3
92.05815	0.1
93.07037	0.2
95.04991	0.1
95.08605	0.1
97.02884	0.8
97.06533	0.1
99.04452	1.1
105.07027	0.1
107.04959	0.2
107.08570	0.1
109.02854	0.1
109.10149	0.1
110.03685	0.1
119.04938	26.9
120.05240	0.3
123.04472	0.1
125.02343	0.1
127.03911	10.0
128.04320	0.1
128.06207	0.1
129.06978	0.1
131.04915	0.1
137.05952	0.5
137.09593	0.1
146.03596	0.1
147.04402	100.0
148.04738	1.7
153.01845	0.3
157.06560	0.2
161.06004	0.1
165.06805	0.1
171.08105	0.1
173.02400	0.4
176.07112	0.1
177.05533	0.1
181.06546	0.1
182.50888	0.1
185.05972	0.3
191.03484	0.1
199.07539	0.1
213.05479	0.3
215.07036	0.3
227.07074	0.2
229.12033	0.1
231.06584	0.1
245.05963	0.1
245.08047	0.1
255.06519	1.1
273.07581	3.1
273.11078	0.1
273.14853	0.2
273.18765	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01881	8.8
55.05507	13.9
56.96558	4.5
57.03439	28.7
57.07056	5.2
60.73663	1.8
67.05505	62.8
69.03414	7.4
69.06765	1.9
69.07066	17.4
70.75123	5.8
71.05001	11.1
73.02904	5.3
79.05496	19.9
81.03413	8.0
81.07059	62.5
83.04979	10.3
83.08617	6.3
85.02903	3.9
85.06519	7.2
91.05482	47.7
93.07040	25.3
95.04940	6.3
95.08607	12.7
97.06523	6.3
98.97582	4.6
99.04476	8.6
99.08053	2.5
105.07034	48.3
107.08600	39.6
109.02886	19.3
109.06536	8.7
109.10160	91.8
111.08133	3.2
113.05975	3.9
116.98629	2.4
117.07085	2.1
119.08585	5.4
121.10149	4.1
123.08089	3.2
123.11703	21.5
125.09610	3.2
127.03905	7.7
127.07533	5.5
128.04272	1.8
129.05469	2.0
131.08539	3.7
133.10130	100.0
135.11734	2.4
137.06030	2.4
137.09573	2.1
151.09966	3.4
151.11191	69.0
153.01823	3.1
154.94766	2.0
159.11676	2.5
159.70081	2.0
161.09645	2.0
169.12227	16.3
169.36491	1.9
179.10623	2.8
193.15848	2.5
215.12772	6.8
253.14384	9.9
262.09625	1.9
271.05963	38.6
271.15387	96.8
271.20001	3.0
271.24292	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	272.113
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
51.02376	0.3
53.03944	0.7
55.01231	0.3
55.01876	0.9
55.05499	0.4
56.96559	1.6
57.03439	2.2
60.41439	0.4
61.02927	3.6
63.50381	0.3
65.03945	4.0
67.05515	0.7
69.03430	4.9
70.06602	1.3
71.01359	0.5
71.04999	0.8
71.56857	0.5
72.08141	0.4
73.02911	2.1
73.97539	0.4
79.05507	0.4
80.05048	0.8
81.03419	1.7
81.07052	1.2
82.05314	0.4
83.01357	0.5
83.04992	0.4
83.06100	1.1
84.08125	1.1
85.02908	13.1
86.00657	0.3
86.09693	0.5
87.04469	1.7
90.94795	0.5
91.03979	0.6
92.05006	55.1
93.05791	4.8
94.06570	8.6
95.06104	1.7
97.02892	5.5
98.06052	0.5
98.97568	1.0
99.04457	1.4
101.00871	0.7
101.02396	0.6
103.00671	0.5
109.02875	1.2
110.06046	100.0
110.07140	11.2
111.02138	0.4
111.06387	0.8
112.08700	0.6
113.96425	0.8
115.03902	0.5
116.98638	0.7
117.02181	0.5
119.01882	2.4
120.01995	0.6
121.01674	1.3
124.99199	0.4
126.05421	0.4
126.06606	0.7
127.03925	3.7
130.03694	0.5
131.01886	0.9
131.97438	0.5
132.53618	0.6
133.01715	0.5
133.03459	1.2
135.03239	1.0
139.02707	0.4
139.04109	0.7
143.01942	0.4
143.05577	0.5
145.03435	0.5
145.04965	1.4
145.54269	0.5
149.02931	0.6
149.04709	0.7
152.07048	3.7
153.05782	4.5
153.55898	2.3
154.05797	0.7
155.01952	0.7
156.07709	1.5
158.99680	0.7
161.01234	0.7
161.02968	0.7
161.06638	4.2
161.55719	0.6
162.06310	4.0
162.56467	1.8
163.02890	0.6
163.04446	1.2
163.06300	1.6
163.12315	0.9
164.07080	0.8
165.07489	2.0
167.55612	0.4
170.99611	0.6
173.02997	0.9
174.04504	0.7
175.08170	0.4
177.00772	1.1
177.04181	0.7
178.04868	2.0
179.07668	1.2
180.07922	0.6
181.05217	0.6
181.07370	0.5
181.55431	1.2
182.05235	0.7
183.96127	0.5
185.06627	0.6
189.00751	0.5
191.03975	0.6
191.06528	0.5
200.04417	0.6
202.96382	0.5
203.03970	0.7
203.07626	1.1
208.14510	1.6
211.56476	1.2
211.96390	1.1
212.06261	0.7
212.09271	0.5
215.07628	0.7
217.00052	0.6
226.06848	1.2
226.15573	1.8
229.02330	0.5
249.02696	0.6
254.10324	3.0
254.15135	1.5
257.97046	0.5
272.11340	39.9
272.15857	11.8
273.11734	0.9
291.09131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01877	0.9
55.05531	1.8
56.96574	1.0
57.03441	1.1
57.07094	1.8
61.50466	0.5
67.05209	0.6
67.05527	2.8
67.30474	0.6
69.03444	2.1
69.07069	3.9
69.50616	5.1
70.06593	53.0
71.05021	1.1
72.58955	0.7
79.05491	0.7
81.03432	2.4
81.07057	3.4
83.04988	1.0
83.08618	1.1
85.02912	1.5
86.09706	31.2
88.08492	0.5
91.05485	2.3
93.07057	1.8
95.04984	1.2
95.08608	2.4
97.02901	0.6
97.06519	1.1
97.10130	0.7
99.04450	2.1
105.07034	2.0
107.08585	0.8
109.02885	6.8
109.10172	2.3
111.08074	0.9
112.07612	6.8
116.07091	100.0
116.98640	1.4
119.04945	1.3
119.08558	0.9
121.10159	1.3
123.08092	0.7
127.03879	3.3
128.10716	18.2
133.10123	1.6
140.07072	3.4
149.09529	0.7
153.01805	1.2
156.10173	2.3
159.11618	1.0
202.05774	0.7
211.07619	0.8
235.16612	0.6
239.03290	0.7
271.05853	22.3
271.10672	1.5
271.17020	0.7
271.19998	0.7
271.22662	1.1
272.08966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0919
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
55.05480	0.5
56.96562	2.0
60.37826	0.2
69.03416	0.7
69.07046	0.4
70.06603	0.4
70.37153	0.3
70.37494	1.1
72.08157	0.4
79.05487	0.7
81.03366	0.3
81.07035	0.3
84.08147	0.4
84.96024	0.2
85.02886	0.7
85.19940	0.3
86.09670	0.3
89.03904	0.4
91.05463	1.1
97.02866	0.7
98.97593	1.5
100.11253	1.6
105.07066	0.4
106.06577	2.2
107.04916	0.4
109.06461	0.5
116.04999	2.9
116.98608	1.2
117.03348	0.6
119.04896	0.3
123.04402	0.9
124.45979	0.3
124.99133	0.3
127.02221	0.3
131.00154	0.3
133.05312	0.2
134.06009	5.0
134.99667	0.9
135.04410	5.0
136.03900	0.5
137.06006	1.5
143.00139	1.4
143.95294	0.3
144.04459	0.6
147.04375	0.3
151.03851	0.3
153.01823	0.4
153.27359	0.3
158.99689	0.4
161.01205	2.1
161.09583	0.3
162.05504	10.6
163.04030	0.3
167.63751	0.2
170.99629	0.2
173.01227	0.5
173.09554	0.3
177.00703	0.6
184.55757	0.2
185.01216	0.4
189.00826	0.5
191.02350	0.7
203.02269	0.5
216.10286	0.4
219.01674	0.3
221.11668	0.3
227.17570	1.9
244.09740	0.6
244.99660	0.3
249.02776	1.2
251.56491	1.6
252.06776	0.4
257.06830	2.1
267.03821	1.9
272.09171	100.0
273.09570	1.8
285.04861	1.1
290.05289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03940	3.2
55.01858	3.4
55.05514	18.7
56.96544	6.3
57.03184	2.3
57.03436	30.6
57.07061	4.4
65.03917	3.2
67.05505	78.6
69.03439	2.6
69.07069	30.4
69.48985	17.5
71.04977	7.1
79.05067	2.6
79.05493	48.2
81.07056	100.0
83.04984	11.3
83.08621	17.7
85.06525	6.7
88.88054	2.0
91.05476	23.3
93.06487	3.8
93.07047	72.7
95.04940	6.7
95.08604	30.1
97.06537	16.3
97.10143	4.3
99.08070	7.5
104.98932	2.1
105.07008	9.2
107.08591	37.7
109.06490	5.0
109.10152	5.5
111.08070	9.0
113.09684	2.4
117.07018	11.5
117.75801	2.1
119.08535	3.9
121.10144	20.0
123.11665	4.2
131.08556	14.1
133.10126	18.9
135.08043	3.3
135.11707	13.7
137.01344	2.6
145.10107	3.2
147.11610	2.9
149.13263	50.4
151.11154	3.8
159.11687	27.2
161.13213	4.0
163.03906	5.2
177.12738	18.5
195.13809	18.1
207.06433	3.8
251.20065	5.5
269.17404	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.08434	1.9
52.77929	1.9
55.01863	3.3
55.05513	22.2
55.55253	1.8
57.03196	2.6
57.03439	35.9
57.07064	4.4
65.03935	2.0
67.05506	81.7
69.07066	29.4
70.65302	3.4
70.65638	3.5
71.04975	8.2
79.05067	2.7
79.05496	44.2
81.03407	4.2
81.07056	100.0
81.17644	1.8
81.99684	2.1
83.04980	10.7
83.08186	2.8
83.08618	19.1
85.06521	7.1
91.05480	30.2
91.60592	1.8
93.07046	74.9
95.04949	7.0
95.08603	28.4
97.06542	18.2
97.10142	3.0
99.08066	7.3
105.07022	10.3
107.08600	32.4
109.06535	4.3
109.10185	4.8
111.08083	13.9
113.05982	3.5
117.06996	8.7
119.08571	3.1
121.06503	1.9
121.10143	24.4
123.08088	2.3
123.11718	4.1
131.08569	12.5
133.10127	12.9
134.06854	1.8
135.11697	18.0
149.09625	2.6
149.13252	58.5
151.11244	3.0
159.11711	29.9
161.13261	3.7
168.08099	2.3
177.12767	20.8
179.14249	4.2
195.13789	14.2
241.73178	2.1
269.17465	85.0
269.22449	4.2
269.25281	2.2
270.18140	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	270.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
56.96569	6.8
57.03429	3.8
57.07071	3.5
57.49313	2.2
59.05014	15.8
61.02906	3.5
62.00114	2.3
66.49258	2.5
69.03426	5.6
69.07067	7.0
70.06584	8.1
71.01334	3.4
71.58335	5.0
73.06560	38.1
75.04467	8.0
78.93804	2.5
84.08144	36.9
85.02908	10.5
85.08475	16.8
86.09641	3.3
87.04461	23.3
89.97095	2.5
91.05489	4.2
91.07574	6.2
95.08575	2.4
97.02942	3.4
98.97577	4.1
103.03954	8.8
105.06985	3.5
110.07156	3.1
116.98592	5.0
119.04953	4.9
120.08116	6.5
127.03913	3.7
127.15739	2.4
128.03043	2.4
131.03377	11.7
132.08073	2.8
133.04970	3.3
134.09621	4.3
134.99698	3.2
136.05278	2.6
136.06187	15.4
136.07468	2.5
137.05853	4.0
137.06630	2.8
140.06999	2.6
145.05066	4.7
145.06415	3.0
151.07559	2.8
154.18678	2.9
161.04468	29.7
162.05484	5.4
164.07048	2.5
177.00742	4.9
179.08389	4.3
187.55862	2.4
194.37376	2.5
206.11737	8.5
207.12167	3.8
208.12117	12.9
217.03435	100.0
224.10919	3.1
224.12912	10.6
235.04471	29.4
252.12558	2.9
252.15125	9.6
270.07758	4.4
270.11038	4.5
270.13474	11.3
270.16287	18.3
270.27850	4.8
271.06073	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05506	1.0
62.77173	0.5
67.05492	1.6
69.07057	1.2
70.93430	1.2
79.05473	2.1
81.05793	0.9
81.07053	1.9
83.08600	0.9
91.05485	1.5
93.05790	0.9
93.07028	1.3
94.06546	1.1
95.08595	2.1
96.08138	1.8
105.07012	1.3
106.06548	1.9
107.08575	1.2
108.08117	8.3
109.02821	0.7
109.10144	1.5
112.35283	0.6
118.06561	0.8
119.08568	1.5
119.63541	0.5
121.10168	0.8
122.09669	0.8
131.08517	0.7
132.85696	0.6
133.10143	1.3
134.06000	1.6
136.07529	1.2
143.08638	0.8
144.08076	1.0
147.11655	0.6
148.07594	0.9
151.11197	0.8
153.01842	1.7
153.41049	0.6
154.06549	1.2
155.08498	0.6
156.08075	0.6
157.10147	1.4
158.06024	1.0
158.09612	1.1
159.08038	1.3
160.07489	0.6
168.08073	3.4
169.08914	2.9
169.10132	0.7
170.09729	1.1
172.07608	1.5
174.09140	1.6
181.10057	1.1
182.09685	1.4
183.10405	6.8
184.07684	0.6
185.10774	1.8
186.11482	1.5
188.10637	0.6
196.07524	3.7
197.08351	6.7
198.09262	1.3
198.12773	5.9
199.08676	6.7
199.12267	1.4
200.13081	1.6
208.11209	0.9
210.09149	1.8
210.11508	0.7
211.09937	12.1
211.14774	0.6
212.09447	1.1
213.10228	11.2
214.11003	4.7
215.15526	2.9
215.17418	0.7
225.11386	0.9
225.13800	0.7
226.12283	25.6
227.08275	0.9
227.11783	16.2
228.12573	24.6
241.09727	2.2
242.10446	1.3
242.14093	0.6
243.14946	21.3
253.13402	3.7
254.11771	2.0
255.11279	21.3
256.12064	26.4
269.12802	1.2
271.06030	18.5
271.14413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.99338	2.2
53.03936	4.0
55.01866	4.2
55.05312	1.7
55.05515	18.1
57.03433	25.5
57.07067	5.5
57.37444	2.3
67.05504	81.7
68.66565	2.7
69.07066	23.6
71.04975	6.1
73.02900	2.3
79.05067	3.7
79.05489	44.4
81.07054	100.0
82.08006	2.1
83.04957	8.8
83.08614	23.3
85.06528	6.5
87.55940	2.4
91.05477	24.2
93.06476	4.5
93.07040	80.0
95.04939	7.0
95.08607	30.4
97.06542	16.8
98.20727	8.0
99.08079	7.0
105.07019	11.2
107.08594	35.4
109.06491	4.6
109.10165	5.2
111.08069	10.1
117.07021	14.7
121.10143	22.0
123.11700	5.1
131.08572	13.6
133.10138	14.7
135.11665	14.8
147.11693	3.3
149.13257	48.3
159.11713	31.5
171.11668	3.0
177.12762	16.9
191.21867	2.1
195.13814	23.7
213.14760	3.3
218.70847	2.0
229.89670	3.2
269.17432	96.2
269.22394	5.2
270.17822	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	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03949	2.8
55.01872	3.1
55.05511	19.4
56.96572	0.5
57.03438	30.5
57.07079	4.2
57.22813	0.5
65.03938	2.2
67.05505	77.0
69.03426	1.0
69.07069	28.7
71.01401	0.5
71.04991	6.3
71.08607	1.0
71.58750	0.9
73.02917	1.1
77.03928	0.7
79.05494	43.1
81.03419	2.0
81.07057	100.0
82.07392	1.2
83.04488	0.5
83.04984	10.4
83.08135	1.0
83.08622	18.3
85.02892	0.8
85.06544	5.8
91.04897	0.8
91.05482	26.5
93.07044	75.4
94.07376	0.8
95.04964	7.1
95.08611	25.2
97.06536	17.7
97.10169	2.1
99.08092	5.1
103.03864	0.5
105.04570	0.7
105.07027	10.0
107.04969	0.7
107.08596	35.9
109.06522	3.7
109.10152	5.1
111.08081	10.1
111.11684	0.7
113.06045	0.7
113.09695	0.6
115.05418	0.7
117.07025	12.1
119.08604	3.3
119.43476	0.5
121.06522	1.8
121.10145	19.0
121.11029	1.0
123.08053	0.7
123.11691	3.7
124.67865	0.5
125.09619	1.1
127.07594	0.9
131.07611	0.5
131.08577	12.2
133.10132	13.5
135.08058	2.7
135.11697	11.8
139.11191	2.5
145.10155	0.6
147.11665	1.8
149.09624	1.4
149.13261	49.1
150.13600	1.1
151.11174	2.3
153.09111	0.9
157.10123	1.0
159.11693	28.4
161.13243	2.0
165.12749	1.0
167.14310	1.5
177.12762	15.2
177.14314	0.5
179.14281	1.5
185.13229	0.7
195.13814	19.5
201.79408	0.7
211.10834	0.7
213.14810	1.3
251.16158	0.7
251.20151	0.7
269.17453	85.2
270.17743	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.01867	4.3
55.05513	20.9
57.03442	29.2
57.07064	6.4
57.07351	1.9
65.03940	3.4
67.05508	80.3
67.05872	3.9
69.07076	31.5
71.04985	7.5
71.08622	3.2
71.56032	2.0
79.05495	45.8
81.03432	2.0
81.07064	100.0
83.04985	12.5
83.08630	24.7
85.06538	6.6
91.05488	25.6
93.07051	76.2
95.04962	5.4
95.08607	28.3
97.06523	18.0
97.10169	4.8
99.08092	5.4
105.07036	9.4
107.08595	41.6
109.06494	4.0
109.10175	8.6
111.08076	10.2
113.05971	2.4
117.07031	12.5
119.08571	3.8
121.10155	18.9
123.11726	7.5
125.09615	2.5
131.08606	10.7
133.10153	17.1
135.11688	13.4
147.11681	2.0
149.13268	52.6
151.11209	4.7
155.17834	1.7
157.10121	2.1
159.11703	26.9
161.13293	3.7
177.12767	18.8
179.14230	2.2
195.13800	21.7
251.20088	4.0
269.11594	2.7
269.17490	81.4
269.22110	3.1
270.17871	2.0
293.60138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01879	0.2
57.03439	0.4
69.46979	1.5
73.02930	0.2
84.08158	0.5
85.02905	0.4
86.35084	0.2
94.04069	0.2
97.02912	0.2
98.21526	0.3
119.03535	0.6
136.06183	100.0
137.04605	0.4
137.06609	0.9
177.07907	0.8
199.41972	0.2
206.11757	3.9
235.82146	0.2
250.14362	0.8
268.10400	8.1
268.15070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.95703	0.2
57.03418	0.5
62.41435	0.1
69.03406	0.2
71.40900	0.4
73.02924	0.2
84.08134	0.7
85.02905	0.4
94.04022	0.4
97.97873	0.2
119.03568	0.6
123.04466	0.2
136.06186	100.0
137.04623	0.3
137.06540	0.5
145.83006	0.2
206.11763	0.7
219.06168	0.2
250.14400	0.5
268.10416	8.1
268.15329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1544
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
70.06577	0.5
70.75340	1.1
77.74532	0.3
84.08144	12.6
84.99664	0.3
123.04410	1.4
128.06198	0.4
131.08539	0.6
135.04422	0.5
136.06171	1.3
137.05998	0.9
143.08571	2.1
147.04430	0.3
148.05182	0.4
148.76253	0.3
149.05984	0.5
159.08055	1.3
160.05170	0.7
160.11200	1.1
161.05974	2.9
162.05495	1.0
164.07045	3.8
171.08038	2.2
174.06680	0.4
176.07053	1.0
177.07848	27.1
177.33704	0.3
178.08566	0.4
188.10684	2.1
189.09093	2.1
204.10110	0.4
206.11763	100.0
207.12082	1.4
250.14391	14.6
268.15442	27.6
269.15707	0.4
288.97614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03944	3.5
55.01869	2.2
55.05517	21.1
57.03437	30.1
57.07066	4.0
62.31622	1.6
65.03925	2.3
67.05508	75.2
69.03418	1.8
69.06719	2.3
69.07063	25.2
70.18906	5.0
70.19318	3.0
71.05003	7.5
71.08604	2.7
79.05495	44.9
81.03413	2.9
81.04022	1.5
81.07058	100.0
83.04990	12.2
83.08617	19.7
83.37069	1.4
85.02872	1.5
85.06520	5.1
86.57642	1.5
87.44839	1.6
91.04974	2.0
91.05488	25.0
93.07043	72.3
95.04960	7.3
95.08607	30.3
97.06526	17.6
97.10133	3.6
99.08079	5.3
105.07030	10.9
107.08598	34.3
109.06487	4.5
109.10130	8.0
111.08067	11.6
117.07018	12.5
119.08543	6.7
121.06505	2.9
121.10144	16.6
123.11658	5.0
131.08557	17.0
133.10133	15.5
135.08037	3.3
135.11688	15.3
139.11128	2.1
145.10127	2.9
147.11630	4.7
149.09544	1.7
149.13263	41.3
151.11115	2.8
159.10478	2.1
159.11697	31.4
161.13272	1.7
171.11610	1.9
173.13298	2.5
177.12730	19.7
187.14795	1.7
195.13803	16.1
196.02615	1.7
197.09541	1.6
208.33061	1.6
251.16507	2.3
251.19911	2.2
269.17413	75.3
269.22467	5.1
273.23917	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2066
Annotation	(-)-Pohakuline
Peak:m/z	Relative Intensity
55.05269	0.5
55.05509	4.7
56.05051	0.4
56.96551	0.9
57.03420	1.0
57.07064	0.7
58.06599	3.6
59.41140	0.4
61.06634	0.5
63.35394	0.4
65.03911	0.5
67.05492	2.9
68.04991	0.5
69.03407	1.1
69.07051	2.2
70.77367	1.4
71.04991	0.6
79.05473	1.9
80.05019	5.5
81.03413	1.7
81.07054	4.7
82.06575	18.1
83.04967	0.8
83.08639	2.1
84.08136	0.7
85.06516	0.9
91.05478	2.6
93.07044	2.6
94.06565	3.6
95.04979	0.8
95.07336	1.2
95.08609	3.2
96.08144	3.6
97.02869	0.5
97.06523	0.7
97.08891	1.0
97.10130	0.8
98.97584	0.9
98.98427	0.6
105.07016	2.1
107.04926	0.7
107.07306	0.6
107.08575	1.6
108.08116	14.5
108.08865	0.7
109.02820	0.6
109.08945	0.5
109.10144	1.3
110.06036	0.5
110.09684	1.6
111.08070	0.5
116.98582	0.5
117.57649	0.4
119.08553	1.6
120.08107	10.7
121.06493	0.6
121.08851	0.7
121.10136	1.6
122.09628	2.0
123.10448	0.6
123.11680	1.0
125.09599	0.8
129.07040	0.5
131.08580	0.5
133.10104	1.8
136.06180	1.0
138.34180	0.4
147.11674	0.8
159.11758	0.5
161.13252	0.7
170.34378	0.6
176.07065	0.8
178.15913	0.8
188.14296	0.8
191.02400	0.4
192.13811	1.1
193.12160	0.6
204.13878	0.7
205.10773	0.5
206.11737	0.7
206.15381	2.8
210.14920	0.9
224.16447	100.0
225.16716	1.2
232.16965	6.9
245.06133	0.7
249.19611	4.5
250.18022	12.7
255.04134	0.6
267.20667	90.0
268.21017	1.1
273.05145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Curvularol
Peak:m/z	Relative Intensity
53.03943	7.8
53.29723	2.1
55.01868	4.8
55.05511	33.5
56.96562	9.2
57.03439	40.4
59.05005	2.4
65.03952	3.9
67.05506	77.1
69.03430	10.3
69.07074	21.9
69.50750	18.5
71.04988	7.4
77.03927	2.8
79.05495	83.3
79.05960	4.2
81.03419	42.5
81.07058	68.9
83.04980	61.4
83.08602	8.2
83.32281	2.1
84.08121	2.2
85.06527	5.8
91.05479	100.0
93.07046	48.7
95.04973	37.3
95.08603	28.5
97.02890	4.8
97.06541	11.9
97.10144	4.1
98.97550	2.7
99.04443	2.7
99.08082	4.9
105.04525	2.4
105.07035	59.0
107.04955	25.5
107.08594	14.9
109.02901	2.9
109.06542	12.5
109.10156	7.7
111.08080	5.1
113.97451	2.4
115.05402	2.7
117.07011	6.5
119.04919	3.4
119.08588	35.6
121.06473	2.5
121.10133	12.7
123.08047	4.3
123.11770	3.1
125.06012	2.5
125.09666	2.1
127.03890	2.1
127.07541	5.6
129.06993	20.0
131.08566	25.8
133.06519	4.5
133.10133	46.4
135.11684	2.6
137.09621	5.0
139.04985	2.3
142.07806	4.6
145.10133	9.3
147.04433	2.6
147.08054	6.8
147.11684	32.8
148.07561	2.7
149.09602	7.3
151.11206	2.7
155.08521	2.5
157.10133	30.2
159.11769	2.6
161.09653	2.7
163.11220	5.7
165.12695	3.2
175.11186	33.8
176.07062	5.2
185.09651	2.1
185.13388	3.3
189.12794	2.3
193.12231	21.7
201.07962	2.3
203.06006	2.1
204.08345	6.6
211.13100	2.9
219.09065	6.7
231.13905	3.6
245.04781	9.3
245.10396	15.2
245.60701	3.0
249.18573	3.2
256.61169	6.1
267.09589	2.4
267.13348	4.3
267.15936	74.5
267.20911	6.1
268.06235	2.5
282.87488	2.1
285.10083	5.7
288.02097	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03949	3.9
55.01868	2.6
55.05515	8.2
56.96576	4.4
57.03439	20.6
57.07068	0.9
65.03931	1.5
67.05179	0.9
67.05509	18.3
69.03436	4.7
69.07056	6.1
69.44951	1.6
69.45357	5.2
71.04990	4.2
73.02926	1.5
79.05499	16.6
81.03419	100.0
81.06579	1.2
81.07056	21.6
82.03766	0.8
83.04987	8.9
83.08621	15.3
85.02908	2.2
85.06531	1.3
91.05484	21.0
93.07053	11.0
95.04973	24.3
95.08610	9.6
97.02876	3.3
97.06542	5.9
97.10145	1.1
98.97579	4.3
99.08044	1.4
105.07034	18.2
107.04959	6.9
107.08598	6.3
109.02869	2.8
109.06522	5.2
109.10151	2.9
110.03161	1.1
111.04441	1.7
111.08083	7.6
115.05431	1.7
116.98620	4.8
117.06988	1.9
119.04961	1.2
119.08586	13.6
120.08076	0.8
121.06477	2.8
121.07275	0.8
121.08438	1.0
121.10141	7.5
123.08045	2.9
123.11726	1.9
127.03852	0.8
129.07028	8.6
131.00168	2.0
131.08566	7.2
133.06473	3.3
133.10143	7.1
134.99638	2.2
135.04431	1.0
136.06195	3.5
137.05966	3.6
137.09625	2.3
142.07776	2.5
143.08640	1.0
145.06529	1.2
145.10104	2.5
147.04358	0.9
147.08052	2.5
147.11690	13.3
149.01253	3.8
149.09627	5.2
149.13251	0.9
151.11229	1.1
155.49435	0.9
156.03584	1.7
157.10107	10.7
158.99663	1.1
159.11751	1.0
161.01302	0.8
161.09573	1.4
161.13197	1.1
165.12775	3.0
167.02275	1.0
175.11191	10.9
177.00693	3.7
185.13295	1.2
187.08047	1.1
192.56764	0.8
193.12242	22.7
201.07538	0.8
211.13263	6.0
219.01753	1.2
231.13757	1.0
233.11612	1.3
235.59193	0.8
237.14801	1.1
243.08827	12.4
244.59798	1.6
244.81841	0.9
249.08118	3.3
249.14835	3.5
255.04146	2.9
259.10162	3.3
267.15921	79.7
268.10663	3.7
268.16095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	18.5
58.31981	0.5
69.25155	3.1
69.25588	2.2
71.95247	0.8
74.97613	0.8
81.07028	0.8
84.54992	0.6
87.38427	0.5
98.21582	0.8
103.00697	3.1
115.00667	1.4
121.01730	4.2
129.02234	0.7
133.01733	1.9
139.02782	1.0
141.02231	0.8
144.03380	0.6
147.03293	1.7
154.67638	0.5
155.03819	1.9
159.03270	1.2
169.05432	0.7
171.03258	1.2
173.04863	8.5
180.77937	0.5
185.04875	0.6
187.06476	0.9
191.05899	4.2
197.08488	1.8
199.06419	2.2
199.10205	0.7
201.08031	1.9
214.07480	0.5
215.09579	3.0
217.07503	1.4
217.11130	1.1
219.09029	1.5
225.07896	8.2
231.13745	0.7
238.11281	0.6
243.09055	100.0
244.09326	0.6
261.10107	70.7
266.10641	23.5
284.11707	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	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05269	2.5
55.05511	36.9
57.03437	2.3
57.07071	15.6
67.05507	39.3
69.07069	53.5
69.34781	12.2
69.35199	4.7
71.04994	3.5
71.08629	10.4
71.64890	1.9
79.05490	24.2
81.07059	43.1
83.04979	2.6
83.08141	3.0
83.08617	41.4
85.06552	3.3
85.10180	3.8
88.49374	1.6
91.05470	5.9
93.07049	28.6
95.04977	3.0
95.08609	45.2
97.06519	13.0
97.09549	2.1
97.10174	29.0
99.08099	3.1
103.27438	1.5
105.07011	1.6
106.39977	1.9
106.87490	1.6
107.04910	4.1
107.08586	17.0
108.13935	1.7
109.10163	20.7
109.55335	2.4
111.08100	7.9
111.11718	11.9
117.84813	1.6
119.08550	2.2
121.10146	36.1
123.11674	10.2
125.09603	3.1
135.11687	31.4
137.13252	4.0
149.13272	13.9
151.14812	4.8
153.12828	2.0
159.11705	2.1
163.14813	6.5
165.16399	3.7
177.16425	3.3
191.18025	2.5
203.12752	2.1
233.15353	4.2
247.24211	35.1
265.12039	3.0
265.18060	2.4
265.25275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39845	0.6
66.64376	0.7
70.82426	1.7
96.32071	0.9
97.02895	1.0
97.81401	0.7
101.00806	1.0
119.01915	8.1
134.99983	0.9
137.02954	4.2
153.62090	0.7
177.00946	17.8
192.19356	0.8
193.04105	1.3
201.00870	1.2
201.02586	0.9
217.04105	2.8
219.02008	24.0
220.02139	2.5
222.23840	0.7
225.01024	2.4
242.03561	0.8
243.01906	6.6
261.03070	100.0
262.03085	2.8
266.03705	1.0
284.04636	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	18.5
58.31981	0.5
69.25155	3.1
69.25588	2.2
71.95247	0.8
74.97613	0.8
81.07028	0.8
84.54992	0.6
87.38427	0.5
98.21582	0.8
103.00697	3.1
115.00667	1.4
121.01730	4.2
129.02234	0.7
133.01733	1.9
139.02782	1.0
141.02231	0.8
144.03380	0.6
147.03293	1.7
154.67638	0.5
155.03819	1.9
159.03270	1.2
169.05432	0.7
171.03258	1.2
173.04863	8.5
180.77937	0.5
185.04875	0.6
187.06476	0.9
191.05899	4.2
197.08488	1.8
199.06419	2.2
199.10205	0.7
201.08031	1.9
214.07480	0.5
215.09579	3.0
217.07503	1.4
217.11130	1.1
219.09029	1.5
225.07896	8.2
231.13745	0.7
238.11281	0.6
243.09055	100.0
244.09326	0.6
261.10107	70.7
266.10641	23.5
284.11707	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	265.1799
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
51.82909	3.2
53.03942	3.3
55.01868	5.5
55.05495	11.8
56.96537	2.8
57.03442	4.1
57.07066	4.7
67.05502	28.3
69.03450	4.1
69.07059	28.1
70.92638	4.6
71.04985	3.1
79.05496	13.8
81.07052	31.6
83.04966	5.6
83.08601	4.7
85.06545	6.2
91.05480	23.2
93.07059	28.5
95.04951	12.4
95.08595	19.4
95.21535	2.9
97.06546	4.6
105.07044	18.5
107.04950	7.0
107.08588	13.8
108.03666	2.3
109.06530	8.4
109.10155	9.5
114.00294	2.8
117.07006	6.4
119.08590	15.7
121.06498	7.6
121.10134	14.2
123.08053	5.1
123.11736	4.5
129.06912	3.1
131.08612	15.7
133.10164	16.6
135.08055	5.1
135.11697	8.7
137.09589	5.6
137.13315	2.8
143.08530	3.8
144.29082	2.9
145.06447	3.4
145.10127	27.7
147.08041	4.0
147.11621	6.0
149.09595	14.2
151.11169	11.0
155.08508	3.6
159.11639	8.0
161.09695	3.5
161.13275	3.4
163.11214	29.5
173.09663	3.3
173.13239	2.7
177.16257	3.1
179.10704	3.4
187.11191	5.6
187.14813	6.3
191.10666	5.8
201.16458	13.3
205.12170	6.3
209.11725	3.6
211.14793	5.2
219.17455	27.9
229.15921	14.0
240.28699	2.9
247.07495	9.0
247.13231	3.9
247.14285	3.8
247.16908	49.0
265.17975	100.0
289.08572	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	265.1436
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
55.01872	3.3
55.05507	7.1
56.96555	3.5
57.03430	1.6
57.07082	8.7
59.04992	3.2
65.03934	3.4
67.05507	6.9
67.82332	1.5
68.99805	1.7
69.03438	7.8
69.07072	3.0
70.04185	6.8
71.04995	2.4
73.06569	7.6
79.05499	13.8
81.03410	2.4
81.07053	8.7
83.04989	10.6
83.08620	2.6
84.08176	1.8
85.02907	3.7
85.06559	1.5
91.05482	15.2
93.03418	2.7
93.07041	18.6
95.04958	9.1
95.08605	6.3
97.02888	1.4
97.06522	13.9
98.20763	1.8
98.97586	2.6
103.05436	1.8
105.07037	11.4
107.04966	2.9
107.08598	28.0
109.02892	2.8
109.06515	20.7
109.10136	5.2
111.04428	6.3
111.08083	11.5
113.02367	2.0
113.06022	1.8
115.05457	2.6
116.98650	1.8
117.07022	15.5
119.04917	2.3
119.08586	24.9
120.08119	20.0
121.02901	3.9
121.06505	27.2
121.10154	10.2
123.04427	3.7
123.08080	5.3
125.06050	2.0
125.09637	6.5
127.03901	1.7
129.07039	2.7
131.04927	1.6
131.08572	5.8
133.10129	4.4
135.04427	2.1
135.08061	49.6
135.11703	8.1
137.05988	8.4
137.09622	3.1
139.03912	5.6
139.07510	2.8
143.08516	2.0
144.09363	1.6
145.06470	12.1
145.10149	7.0
147.08037	6.4
149.06009	7.7
149.09650	2.2
151.07550	14.4
153.05510	2.6
153.09094	12.9
155.08517	1.8
159.03300	1.6
159.08066	4.6
159.11719	10.9
161.05997	1.7
161.09615	5.4
161.13313	2.0
163.07547	41.9
163.11183	4.6
165.09177	3.1
166.08681	12.6
170.10818	1.7
171.07961	1.7
172.08763	2.3
173.05994	3.4
173.09578	1.7
173.13269	8.7
177.12741	10.0
181.08603	26.1
183.11736	3.0
185.13261	2.5
186.10330	5.0
187.11159	10.8
189.09135	4.1
191.07065	10.2
201.12701	9.4
205.06784	1.4
205.12294	14.6
207.10196	1.7
209.08096	49.6
219.10223	1.7
219.13817	5.0
220.13478	1.7
227.09175	1.6
229.12250	9.2
234.12067	1.4
247.13329	11.8
247.16997	2.1
248.13301	1.7
249.11261	5.0
265.14349	100.0
266.14285	3.9
282.17371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
53.03943	2.9
55.01885	4.2
55.05524	3.9
56.11679	1.9
56.78708	1.8
56.96581	7.3
57.03447	3.7
57.07101	2.3
59.05022	2.0
65.03956	3.2
67.05517	11.4
69.03438	8.3
69.07069	10.2
69.75367	1.7
70.04136	9.7
70.06606	2.6
71.05020	3.0
72.08156	3.5
73.02949	4.3
73.63954	1.7
79.05502	15.9
80.05824	2.0
81.03429	4.8
81.07047	14.0
83.05011	6.5
83.08619	3.1
84.08177	3.0
85.02917	4.2
85.06573	1.9
91.05489	21.2
91.06004	2.1
92.05831	2.5
93.07037	15.8
94.06617	2.3
95.04964	19.4
95.08612	10.7
97.02910	4.4
97.06535	40.0
98.06884	13.6
98.97618	6.9
99.04453	1.8
103.05463	2.4
105.07040	28.8
105.07678	2.5
107.04964	4.0
107.08608	9.4
109.02926	8.5
109.06517	9.9
109.10214	5.7
111.04452	32.8
111.08099	2.2
113.06033	4.5
115.05499	1.9
116.98667	4.1
117.07024	12.1
119.04977	4.2
119.08579	18.0
121.02896	5.3
121.06544	8.0
121.10201	6.0
123.02704	3.4
123.04474	2.2
123.08142	3.2
123.11663	2.1
125.09789	2.2
128.06250	3.9
129.07074	4.4
129.09148	3.0
130.07788	2.4
131.08583	20.4
133.06506	14.0
133.10175	4.7
134.99658	3.5
135.04437	2.0
135.08098	6.0
135.11722	2.8
137.05974	30.7
137.06927	2.4
138.06306	14.5
139.11140	1.8
141.07092	5.1
142.07805	2.3
143.08617	7.2
144.09377	2.4
145.06548	7.2
145.10138	15.1
147.08047	24.2
149.06018	4.2
149.09647	4.5
151.03981	5.1
151.07510	2.1
154.07825	2.3
155.08670	3.9
155.10728	4.4
157.10107	3.2
158.07306	7.0
158.99628	2.0
159.08072	17.6
159.11716	18.4
161.05942	4.1
161.09700	6.5
161.13341	2.4
163.07628	6.5
164.07095	2.3
165.09122	2.1
171.08130	2.9
172.08929	6.6
173.09657	3.7
173.13332	5.7
175.07556	24.9
175.08774	2.2
175.11171	2.5
177.00760	4.5
179.06987	2.1
187.11182	13.3
189.09126	12.4
190.09532	4.5
191.10588	1.9
193.06905	3.2
193.08618	36.2
193.10240	3.2
194.08989	8.8
196.08908	2.2
201.12798	6.8
203.10722	1.7
205.08777	2.9
205.12431	3.0
211.11176	5.1
217.79831	1.9
219.13852	4.4
229.12386	5.6
234.12120	18.0
247.13359	12.8
248.13525	4.5
248.16446	2.2
249.11313	12.1
249.52536	2.1
254.06567	2.2
257.10699	4.4
265.08627	4.1
265.14197	100.0
266.14258	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
53.03933	8.8
53.15366	4.1
53.16401	4.0
55.01857	7.2
55.05511	13.7
56.96563	8.8
57.03431	3.9
57.07086	8.2
60.01591	3.8
65.03954	4.6
67.05507	19.0
68.35548	4.4
68.99802	4.8
69.03430	16.6
69.07078	15.0
71.03727	3.4
71.04985	7.4
75.77661	3.6
79.05505	19.9
81.03445	5.0
81.07074	28.8
83.04989	43.8
83.08614	7.0
84.96050	4.6
85.02927	7.3
85.06545	6.5
89.17553	4.3
91.05487	30.7
93.07042	31.4
95.04983	17.3
95.08603	16.9
95.51672	5.1
97.02881	6.1
97.06540	18.5
99.04502	4.5
100.30814	4.2
105.07024	28.5
107.08601	34.5
109.02893	13.8
109.06516	16.4
109.10162	13.4
111.04453	27.9
111.08075	8.5
113.06001	10.7
115.05469	5.2
117.07018	16.0
119.08604	22.6
121.06499	34.2
121.10158	13.6
123.04436	6.1
123.08078	12.2
124.99056	4.7
125.09666	8.0
129.07027	6.9
131.08604	13.8
133.06465	6.3
133.10159	13.5
135.04539	3.8
135.08052	54.2
135.11699	10.9
137.05977	11.5
137.09666	12.9
143.00198	4.8
144.09380	5.3
145.06462	11.6
145.10123	18.2
147.08105	5.3
147.11679	6.5
147.44504	4.1
149.06013	6.9
149.09627	18.4
151.03891	4.3
151.07616	4.4
153.09180	10.9
155.08578	4.5
157.10211	4.9
158.10892	9.9
159.08084	10.8
159.11659	19.8
160.08807	5.3
161.01218	9.8
161.09576	7.4
163.03961	5.3
163.07550	46.9
163.11185	16.3
165.09200	6.2
165.83263	4.0
167.17397	4.1
168.09418	4.0
170.10982	7.6
172.08882	4.4
173.05978	6.6
173.09642	13.5
173.13246	30.9
175.47777	3.8
177.12701	7.1
183.11633	4.7
184.02750	5.0
185.13252	5.2
186.10373	9.9
187.11206	50.8
191.07022	19.7
191.14232	7.8
201.12724	43.8
202.07854	6.7
203.08617	9.7
205.12306	23.6
209.08125	7.0
211.11327	6.6
219.08105	9.1
219.11865	5.6
219.13654	19.9
228.19556	4.3
229.12233	54.4
237.09200	5.3
247.07570	55.4
247.09431	5.4
247.13286	100.0
247.17107	6.6
254.06224	11.0
259.09610	10.3
265.14417	26.5
265.18024	5.2
265.25092	7.5
265.56985	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	265.1436
Annotation	Abscisate
Peak:m/z	Relative Intensity
55.05495	10.7
56.96556	18.1
57.07069	5.7
59.04988	9.4
65.03941	4.2
67.05500	17.5
69.03412	15.4
69.07057	13.3
69.66434	11.1
69.66844	18.1
79.05510	22.1
81.03414	7.4
81.07059	19.5
83.04995	45.6
83.08630	5.9
85.06535	5.5
91.05478	20.3
93.07050	24.2
95.04950	18.2
95.08603	14.7
97.02859	5.0
97.06516	13.2
98.97593	12.3
103.05453	6.7
105.07058	25.2
107.04971	7.5
107.08607	34.4
109.02892	26.4
109.06500	13.9
109.10152	10.7
111.04437	26.0
111.08081	8.7
113.05993	9.9
116.98634	4.9
117.07018	15.2
119.04932	6.1
119.08578	26.4
121.06518	31.7
121.10120	14.6
123.04401	5.6
123.08069	10.5
129.06985	6.4
131.08572	14.2
133.10133	9.5
134.99689	5.8
135.08063	61.4
135.11652	7.1
137.05992	10.3
137.09637	7.4
143.08606	7.2
144.09302	6.8
145.06439	10.3
145.10121	13.9
147.08054	5.1
147.11694	5.5
149.06020	9.8
149.09645	15.9
151.03899	9.4
151.07452	4.7
153.05460	12.6
153.09125	7.8
155.08492	5.1
157.10114	8.6
158.10944	8.0
159.08018	8.0
159.11697	18.1
161.06055	8.3
161.09621	10.9
161.13324	5.6
163.07547	48.2
163.11198	15.8
172.08757	4.5
173.09700	13.0
173.13304	26.4
177.12779	5.6
183.11697	7.6
185.13275	5.8
186.10475	10.9
187.11203	49.8
191.07063	15.8
201.12767	44.2
205.08504	5.4
205.12227	22.6
209.08083	9.7
211.11269	9.0
219.01724	6.4
219.13876	14.9
229.12274	47.2
247.13312	100.0
249.11137	12.7
249.62088	5.1
265.08334	4.5
265.14301	22.9
287.05743	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	265.1436
Annotation	alpha-Santalene-12,15-dioic acid
Peak:m/z	Relative Intensity
51.34126	1.3
53.03964	1.9
55.01864	2.1
55.05508	4.4
56.05029	1.6
56.96561	4.8
57.03434	2.2
57.07065	1.8
65.03949	2.9
67.05500	8.5
69.03435	7.2
69.07058	6.0
70.06584	5.3
70.50768	5.3
71.05006	2.7
72.08156	100.0
73.02881	1.7
79.05497	6.0
81.03403	3.1
81.07060	9.3
83.04996	3.0
83.56286	1.4
84.04518	3.5
84.08153	2.1
85.02898	5.2
86.09709	10.9
89.10801	2.0
91.05486	9.5
93.03368	2.3
93.07037	10.8
95.04966	8.6
95.08604	7.6
95.09152	1.8
97.02885	2.8
97.06526	4.1
98.97593	7.8
99.04455	2.3
105.07026	14.3
107.08620	7.4
109.02891	4.3
109.06506	7.9
109.10155	13.4
111.04445	5.2
111.08111	2.0
113.06033	3.1
116.98626	7.3
117.03365	4.0
117.07014	5.0
119.08588	19.4
121.02884	4.3
121.06506	8.6
121.10138	6.0
122.07209	2.1
123.04428	2.9
123.08058	5.2
124.35536	1.6
127.03931	2.4
128.06212	2.3
129.07008	2.9
130.07771	1.7
131.00197	2.7
131.04909	2.2
131.08569	11.3
133.06529	2.3
133.10139	4.9
134.99710	3.2
135.08054	11.0
137.09608	2.6
139.03908	5.5
141.07002	2.1
143.08556	5.3
144.09363	2.4
145.02855	12.2
145.06506	2.2
145.10094	7.2
147.08018	8.1
147.11726	2.6
149.01299	2.7
149.05978	3.8
149.09630	2.8
151.07549	2.9
152.05766	1.6
157.10069	3.0
158.07321	2.6
158.99640	2.0
159.08031	8.0
159.10510	1.9
159.11642	9.7
161.05911	1.6
161.09653	5.8
161.13223	2.7
163.03914	1.7
163.07515	3.3
165.09119	6.4
171.08072	1.6
172.08835	2.5
173.01251	2.3
173.09616	4.0
173.13225	7.3
175.07562	8.0
175.12007	3.2
176.06970	1.8
176.10632	2.3
177.00735	2.9
177.05460	22.7
177.09119	3.6
183.11708	3.8
185.09570	2.4
187.07576	2.1
187.11179	6.3
189.09094	3.4
189.12796	2.2
191.02295	3.5
193.08609	6.4
197.13042	2.0
201.00751	2.9
201.12740	5.6
202.98572	1.9
203.10707	5.8
204.10231	8.7
205.08705	1.6
205.12288	3.1
211.11136	2.8
217.12297	4.1
219.01736	2.9
219.13831	4.8
229.12317	5.8
230.11598	1.5
244.99930	1.4
247.13301	8.3
248.12863	8.5
265.15005	21.2
266.13840	5.9
288.20209	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03944	6.9
55.05504	12.6
56.96558	10.8
58.72333	3.3
60.05618	3.9
65.03951	5.4
66.40499	2.9
67.05485	21.0
69.03408	19.9
69.07065	8.1
70.06583	9.6
70.90561	9.3
71.04981	6.4
72.08161	21.2
79.05485	13.7
81.03397	6.3
81.07040	16.1
83.04976	8.9
84.04513	4.0
85.02901	8.7
85.06542	4.1
86.09708	7.6
91.05479	32.1
93.03367	4.3
93.07038	21.9
95.04962	30.8
95.08588	18.4
97.02888	6.1
97.06518	8.6
98.21421	3.6
98.97575	16.2
99.04455	6.3
105.07026	47.2
105.99793	3.3
106.04869	3.9
107.04971	5.7
107.08611	16.5
109.02857	8.4
109.06546	17.8
109.10183	5.1
111.04430	19.0
111.08080	5.5
112.99088	4.6
113.06024	10.7
116.98602	14.6
117.03413	18.1
117.07008	7.9
119.04967	4.3
119.08575	46.0
120.08055	4.2
121.02857	9.0
121.06507	25.4
121.08303	3.4
121.10145	12.7
122.07086	4.1
123.04411	4.5
123.08024	18.3
128.06252	6.4
129.07027	15.1
130.07806	4.3
131.00186	6.9
131.05074	3.9
131.08540	23.7
133.06474	6.0
133.10120	16.8
134.99664	5.1
135.08054	43.6
135.11656	5.0
137.05977	6.7
137.09595	10.5
139.03882	5.6
139.07619	6.2
141.07001	5.7
142.07765	5.7
143.08549	12.3
144.09315	7.4
145.02837	56.3
145.06473	12.5
145.10123	22.0
147.04381	8.4
147.08066	29.4
147.11681	10.5
149.01248	7.3
149.06006	9.7
149.09602	8.4
150.07732	3.8
151.07573	4.7
156.09383	7.7
157.10133	14.2
158.07245	14.9
158.99623	6.6
159.08046	29.2
159.11708	28.6
160.11928	3.6
161.01256	3.6
161.04646	3.5
161.05963	10.1
161.09642	25.3
161.13278	4.3
163.07469	8.0
165.09085	21.3
166.05026	6.6
168.09300	5.3
171.11714	7.7
172.08836	13.9
173.01271	8.1
173.09589	14.6
173.13268	14.3
175.07570	40.4
175.11147	22.5
177.00690	9.7
177.05463	100.0
177.09142	4.4
180.09505	3.7
183.11633	6.2
185.09639	7.0
187.07513	4.6
187.11174	22.5
189.09128	9.6
189.12778	13.1
191.02257	5.8
191.07144	4.0
193.08606	12.5
201.00691	3.5
201.12668	21.9
203.10626	28.1
204.10167	4.7
205.08562	5.5
205.12297	7.9
207.13953	5.0
211.11287	11.7
217.12254	22.9
219.01860	4.5
219.13904	8.8
226.03677	3.5
229.12280	14.4
235.13307	7.1
244.99721	7.1
247.13248	33.1
248.12770	21.9
265.11526	6.9
265.14948	51.9
265.25143	4.5
266.13873	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	265.086
Annotation	R162
Peak:m/z	Relative Intensity
66.97031	0.2
67.05490	0.4
69.97897	1.2
79.05469	0.2
81.07047	0.4
91.05486	0.5
93.07026	0.3
95.08617	0.3
105.07026	0.3
107.08557	0.3
115.05466	0.7
123.11738	0.3
128.06233	5.3
131.08594	0.2
145.06554	0.2
155.06100	0.2
165.06984	1.1
167.08549	0.6
168.48633	0.2
177.06990	1.2
178.07788	1.7
179.08508	0.3
181.06482	3.1
189.06912	1.5
190.07777	3.8
191.07219	0.2
191.08553	7.1
193.10155	1.9
195.08066	3.5
201.07010	1.2
202.07780	13.0
203.08568	13.1
205.06517	2.1
218.05153	0.3
218.07271	6.0
219.08058	11.0
220.08772	0.6
221.09622	10.8
222.06746	0.3
222.10098	0.3
223.07556	7.9
223.09746	0.5
229.07596	0.8
237.06670	0.4
237.09111	9.5
247.07547	100.0
248.07922	2.2
251.07030	0.7
265.08612	6.1
265.14084	0.3
265.17987	0.3
266.08951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03941	5.5
54.32651	3.4
55.01855	4.9
55.05499	14.6
56.96552	5.0
57.07071	3.5
57.15038	3.6
65.03952	6.4
67.05499	27.6
69.03429	34.5
69.07059	10.7
69.27338	3.5
71.04994	7.8
71.14674	8.3
71.14994	4.2
72.04496	4.0
74.31988	3.7
79.05508	22.2
81.03448	5.0
81.07066	28.1
83.04973	12.0
84.08126	4.4
85.02913	8.0
91.05472	48.6
93.03371	6.2
93.07037	43.1
95.04980	42.5
95.08635	24.7
97.02899	9.2
97.06512	9.0
99.04449	9.6
105.07030	66.7
107.04885	6.1
107.08596	28.5
109.02840	4.2
109.06534	26.2
109.10142	11.8
111.04440	32.7
111.08067	10.0
113.05997	18.4
115.05436	6.5
116.06223	7.2
116.98634	6.8
117.07018	21.9
119.08581	100.0
121.02834	12.9
121.06506	44.0
121.10145	14.1
123.08109	18.9
125.06013	10.8
128.06172	7.7
129.06985	16.2
130.07747	5.0
131.04945	4.4
131.08563	44.5
133.06549	6.8
133.10098	18.9
135.08060	72.9
137.05969	8.7
137.09618	13.6
139.03871	13.2
139.07512	10.1
141.06973	9.2
142.07765	14.7
143.08556	18.1
144.05663	5.4
144.09372	8.5
145.06473	14.8
145.10106	29.0
147.06941	6.0
147.08054	43.5
147.11723	18.0
148.07564	14.2
148.11191	6.0
149.09593	13.0
151.07503	5.4
155.08513	8.4
156.09375	9.6
157.06488	8.0
157.10127	20.3
158.07248	18.6
159.08051	51.5
159.11678	38.9
160.08745	5.2
161.09604	44.8
163.07487	7.7
165.09134	33.0
168.09351	6.5
169.10136	4.6
171.08022	5.7
171.11661	9.2
172.08836	22.4
173.09665	18.9
173.13284	19.2
174.05411	4.2
175.07567	74.1
175.11153	36.8
176.10706	46.9
177.09114	11.3
183.11685	11.0
185.09631	12.6
186.10388	6.4
187.07556	7.3
187.11172	45.7
189.09140	14.8
189.12769	13.7
193.07013	4.5
193.08551	21.1
196.08772	5.6
199.11253	12.7
201.12764	34.3
203.10693	47.0
204.10220	67.6
205.12242	13.6
206.11862	6.0
207.10187	4.0
211.11182	17.6
217.12248	32.3
219.01738	5.2
219.13831	13.7
229.12216	37.8
235.13351	7.4
247.13284	60.6
247.24507	4.0
248.12923	25.6
257.32544	3.7
260.65469	4.2
265.14407	88.5
265.25284	5.6
266.13864	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05517	18.5
57.03415	4.1
57.07057	12.8
65.33630	3.6
67.05168	6.0
67.05505	86.6
69.07067	22.5
70.83802	11.6
71.08628	6.1
79.05495	31.7
81.07062	100.0
83.04976	3.9
83.08592	14.0
85.06546	6.8
85.10184	4.3
91.05482	19.8
93.07029	37.7
95.04939	5.1
95.08611	82.4
97.06535	7.6
97.10133	6.5
99.08084	4.7
104.47167	3.8
104.99243	22.2
105.07035	18.9
107.04958	5.7
107.08609	26.9
109.10166	51.3
119.08620	19.2
121.10130	23.4
123.11703	13.7
131.08551	4.7
133.10118	14.7
135.11649	15.7
137.13231	13.2
147.11685	12.4
149.13219	8.0
151.14796	10.3
156.44951	4.4
161.13231	14.6
163.14775	6.0
165.16396	7.8
167.16914	4.0
179.17885	4.2
189.16338	4.9
217.19453	4.0
245.22690	34.4
263.20099	30.3
263.23679	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.9
57.03428	0.8
65.89863	0.7
67.05502	1.7
68.55830	0.6
69.07069	9.5
69.38668	5.9
79.05497	11.4
81.07055	1.4
91.05489	10.8
94.72871	0.6
95.04976	1.1
97.02899	1.1
97.06534	100.0
105.07005	0.7
107.04987	1.3
109.06511	1.8
110.75121	0.6
111.51418	0.6
119.04955	8.8
121.06498	0.8
123.04446	0.9
131.01965	0.6
133.06476	1.5
135.04427	2.4
137.05983	65.5
138.06369	0.7
147.04407	6.7
147.08057	0.7
149.06036	1.1
159.08076	0.6
161.06030	0.7
161.09621	1.2
173.06044	0.7
177.09113	1.4
189.09105	11.0
191.10847	0.6
206.11734	1.2
215.10683	5.8
217.41998	0.6
233.11731	50.5
247.13303	10.6
252.07167	0.6
264.15961	72.1
264.98566	0.6
265.16534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.14296	0.7
53.03932	1.4
55.01860	1.1
55.05513	15.2
57.03421	1.6
57.07078	12.0
65.03934	1.4
67.05508	83.7
69.07071	15.4
70.18718	3.7
71.04979	2.1
71.08632	7.6
79.05064	1.2
79.05500	19.4
81.07061	100.0
83.04979	1.4
83.08622	15.0
85.06542	3.8
85.10182	3.2
91.05482	15.9
93.07052	21.9
93.73495	0.7
95.04964	2.7
95.08611	83.5
97.06539	6.8
97.10162	6.7
99.08090	5.3
104.99289	0.8
105.07040	9.4
107.08595	12.9
109.06461	0.8
109.10162	42.2
111.08091	4.5
111.11726	2.1
113.04272	0.8
113.09663	3.2
119.08584	10.6
121.09304	1.3
121.10152	16.0
123.08097	1.8
123.11718	21.1
125.09634	1.4
127.11181	2.1
133.10132	15.7
135.11710	9.0
137.09616	2.3
137.13261	9.1
141.12703	2.5
147.11697	11.0
147.39888	0.9
149.13248	9.0
151.11226	1.6
151.14824	11.2
155.14345	2.2
161.13268	12.5
163.14836	9.6
165.16409	12.7
175.14836	10.2
177.16354	2.1
179.17966	5.2
181.15924	1.5
189.16396	4.1
203.17952	2.1
217.19408	1.7
219.36989	0.8
245.22661	41.0
246.22850	0.9
263.23712	96.2
264.24054	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	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65964	1.0
53.03931	1.1
55.05510	13.3
57.03427	1.3
57.07071	12.5
64.44905	0.9
65.03936	3.1
67.05505	85.3
69.07072	16.1
71.04972	1.1
71.08630	6.5
79.05494	20.1
81.07056	100.0
83.04967	1.7
83.08614	13.7
85.06535	2.8
85.10188	3.6
91.05473	17.4
93.06480	1.3
93.07037	19.5
95.04993	1.5
95.08605	85.1
97.06532	7.8
97.10175	7.7
98.21592	2.3
99.08105	5.5
99.75616	0.9
104.99270	2.1
105.07037	12.0
107.08592	13.7
109.06521	1.4
109.10152	44.1
111.08080	5.5
111.11753	1.5
113.09644	3.2
119.08581	12.5
121.09313	1.7
121.10140	18.7
123.08054	3.2
123.10276	0.9
123.11720	19.7
127.11224	1.2
131.08519	1.5
133.10115	14.9
135.11700	11.6
137.09584	3.3
137.13234	7.5
141.12740	2.0
147.11676	10.6
149.13263	7.3
151.11136	2.1
151.14806	8.3
155.14293	1.7
159.21786	1.3
160.12164	0.9
161.13255	10.9
163.14803	10.0
165.16425	11.1
175.14847	8.2
177.16408	1.3
179.17970	5.3
181.15886	1.2
189.16309	4.6
203.17871	1.2
217.19606	2.0
229.46690	1.2
245.22649	39.4
248.05719	1.2
263.14633	3.2
263.23700	92.8
264.24039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01866	1.5
55.05265	1.1
55.05511	13.9
57.03439	1.4
57.06819	1.1
57.07076	12.6
65.03920	2.7
67.05505	92.3
69.06727	1.4
69.07072	16.4
71.04974	1.7
71.08636	7.6
79.05494	22.1
81.07058	100.0
82.07375	1.2
83.04957	2.4
83.08625	14.8
85.06534	4.5
85.10174	3.6
85.24420	0.8
91.05479	15.5
93.07044	24.7
95.04961	1.6
95.08606	84.9
97.06523	6.4
97.10179	5.9
99.08101	5.1
104.99249	1.0
105.07039	10.6
107.08598	16.2
109.06505	2.1
109.10158	43.9
111.08064	3.4
113.09634	4.1
119.08591	11.4
119.91397	0.8
121.10132	17.2
123.08072	2.6
123.11705	19.3
127.11196	1.3
133.10123	14.0
135.11705	9.8
137.09610	2.1
137.13245	7.2
141.12737	2.4
147.11688	9.6
149.13275	8.7
151.14824	9.3
155.14328	2.5
161.13252	9.4
163.14822	7.5
165.16412	13.6
168.41586	1.0
169.47903	1.0
174.16957	0.9
175.14835	7.3
177.16444	2.1
179.17963	4.4
181.15952	2.0
189.16400	5.9
203.18008	1.6
217.19553	2.3
245.22664	42.2
247.11281	1.1
247.35085	1.0
248.12181	1.2
263.14722	7.5
263.23709	95.2
264.23907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02662	2.0
55.05509	17.9
57.03421	2.0
57.07077	10.0
67.05508	85.6
69.07076	21.0
70.58135	1.8
71.04976	2.1
71.08624	7.5
71.32050	4.3
79.05492	20.2
81.07058	100.0
83.04996	2.6
83.08623	15.2
83.17883	2.3
83.40757	2.0
85.06548	2.9
85.10175	3.2
88.81046	1.9
91.05469	20.6
93.07042	23.9
95.04973	2.5
95.08611	89.7
97.06557	10.3
97.10162	8.0
99.08067	4.1
100.86204	1.9
105.07049	10.0
107.08578	15.4
109.06499	2.8
109.10160	45.0
110.34882	2.3
111.08082	6.4
113.09661	2.4
114.83284	2.3
119.08607	12.3
121.10161	18.0
123.08019	3.6
123.11697	21.6
133.10136	17.6
135.11710	10.1
137.09608	2.3
137.13295	10.0
141.12733	2.7
147.11720	10.3
149.13202	11.0
151.14793	9.7
161.13268	13.9
163.14825	7.4
165.16446	11.8
175.14821	8.0
177.16370	3.4
179.17924	5.7
189.16400	3.9
245.22653	41.2
261.52957	2.1
263.23718	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05511	13.6
57.07074	11.4
67.05503	76.2
69.07067	12.4
69.84804	25.0
71.08627	6.7
75.29631	3.8
79.05493	24.6
81.07056	100.0
83.08616	16.2
91.05483	21.5
93.07056	25.6
95.08606	94.8
97.06496	5.4
97.10207	5.3
99.08106	6.1
101.73185	4.6
105.07034	17.2
107.08602	22.3
109.10167	43.5
113.09623	5.6
119.08565	18.3
121.10128	23.9
123.11687	23.4
133.10143	23.0
135.11722	13.3
137.09692	3.9
137.13229	8.5
145.10069	4.6
147.11687	15.4
149.13210	10.1
161.13254	13.4
163.14789	6.3
165.16386	4.3
175.14807	15.3
179.17943	4.8
245.22664	43.2
263.23700	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56488	10.7
53.03944	10.0
57.03408	12.9
60.79874	9.1
61.02908	23.1
69.03423	21.6
70.81747	30.6
85.02905	51.9
97.02885	38.0
98.97559	10.8
99.04475	18.2
101.00845	22.5
115.02467	10.8
119.01914	46.6
127.03870	16.6
130.08791	8.4
131.01923	28.8
132.03450	15.2
133.03481	11.6
143.01881	37.6
155.01907	13.0
157.03482	22.3
160.04779	34.7
161.02943	100.0
169.05290	30.7
173.03001	29.8
175.04463	13.0
177.46307	9.2
185.02945	11.9
189.02394	15.3
191.04070	30.8
203.04024	44.5
221.05086	14.9
224.05244	10.4
245.05075	17.0
246.26059	11.4
263.01645	46.6
263.06119	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	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00180	1.8
69.00473	1.7
78.40265	1.8
83.92829	1.8
101.00861	10.0
103.03983	1.8
110.24152	1.8
113.00854	3.7
114.14034	1.6
115.84370	2.0
119.01931	30.0
131.01904	18.0
137.02927	4.3
143.01900	39.0
149.02992	2.8
155.01918	10.8
161.02959	100.0
173.02966	30.3
179.04028	1.8
184.04597	3.7
185.03008	5.8
191.03998	21.1
203.04005	18.9
219.02527	1.8
221.05014	3.5
229.31993	2.3
233.04961	2.0
263.01682	38.8
263.06055	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00180	1.8
69.00473	1.7
78.40265	1.8
83.92829	1.8
101.00861	10.0
103.03983	1.8
110.24152	1.8
113.00854	3.7
114.14034	1.6
115.84370	2.0
119.01931	30.0
131.01904	18.0
137.02927	4.3
143.01900	39.0
149.02992	2.8
155.01918	10.8
161.02959	100.0
173.02966	30.3
179.04028	1.8
184.04597	3.7
185.03008	5.8
191.03998	21.1
203.04005	18.9
219.02527	1.8
221.05014	3.5
229.31993	2.3
233.04961	2.0
263.01682	38.8
263.06055	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16253	3.6
61.76490	2.5
69.02099	2.6
71.02364	4.7
80.40329	2.5
97.80762	3.4
100.68539	2.9
101.00874	13.4
113.00900	3.2
115.89404	3.1
119.01938	30.1
119.94497	2.7
131.01912	18.1
143.01913	28.5
155.01898	9.6
161.02963	100.0
173.02975	28.4
179.03879	3.0
184.04567	5.8
191.04063	15.8
197.03017	3.5
203.04028	12.6
263.01730	26.9
263.06088	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1437
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
55.01873	1.1
55.05517	0.8
56.96554	0.6
57.03438	1.1
57.92759	0.4
67.05497	0.9
69.03398	1.1
69.07063	2.9
70.06577	0.5
71.59023	0.7
79.05487	3.4
81.07048	0.6
83.04979	1.0
85.02914	0.5
90.57100	0.4
91.05463	1.7
91.06010	0.5
94.06554	1.1
95.04953	1.3
97.02914	0.4
97.06538	14.8
98.97553	0.8
102.38426	0.4
103.05478	0.8
105.07027	0.7
106.58835	0.4
107.04934	1.6
108.08121	0.9
116.98598	0.7
117.07040	0.5
118.06534	1.8
119.01820	0.5
120.08121	1.5
121.05235	0.4
121.06482	1.8
121.10047	0.5
122.52106	0.5
123.04404	1.8
128.06134	0.5
131.04945	0.8
131.08566	1.0
132.08012	0.7
133.05283	0.7
133.06488	1.1
134.06024	0.8
134.99689	0.6
135.04393	1.4
136.06647	0.6
136.07582	5.9
137.05978	2.6
145.06436	1.7
146.06012	3.5
147.04378	0.7
147.06786	1.8
147.07950	0.6
148.07596	5.9
149.05977	1.0
149.08389	0.5
151.06206	0.9
157.06448	0.5
159.08066	0.8
160.07547	0.6
161.05916	0.8
162.05501	1.7
162.09138	3.5
164.07039	3.7
165.07843	1.6
166.08641	3.1
173.09679	1.2
175.07494	1.0
176.07082	7.9
177.09181	1.2
189.07747	0.7
189.09160	2.8
190.12251	2.5
200.10655	0.6
201.09195	3.4
202.08575	0.8
204.10258	1.8
204.53151	0.5
204.58565	0.9
218.08299	0.7
218.11755	13.9
230.11766	3.3
232.62462	0.6
233.11697	2.1
252.59529	1.2
261.60281	0.6
262.14392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1439
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
55.01876	1.3
55.05505	0.8
56.05024	0.3
56.96554	0.7
57.03438	1.4
57.05814	0.5
57.07072	0.3
58.06579	0.3
67.05495	1.0
69.03423	0.8
69.07076	2.2
69.38510	0.2
70.06576	0.4
70.20259	0.2
71.04984	0.5
71.58997	0.3
71.91441	0.3
77.67825	0.2
79.05495	3.0
80.04990	0.3
81.07047	0.6
83.04983	1.7
84.04503	0.3
85.02914	0.6
86.09721	0.6
91.05474	1.7
93.07022	0.7
94.06553	0.6
95.04967	0.9
97.02855	0.4
97.06538	11.4
98.97571	0.6
103.05508	0.5
105.07016	0.6
106.06594	0.4
107.04965	1.9
108.08097	1.5
109.02849	0.3
109.06521	0.4
115.05427	0.3
116.01675	0.3
116.98619	0.7
117.05760	0.5
117.07013	0.3
118.06529	1.7
118.07239	0.2
119.04927	0.6
119.08552	0.5
120.04393	0.3
120.08094	2.7
121.05214	0.5
121.06499	1.5
122.06042	0.8
123.04433	1.4
123.06792	0.3
124.05198	0.9
128.06168	0.3
129.07011	0.5
130.06546	0.3
131.04904	0.6
131.07298	0.7
131.08588	0.7
132.08093	0.7
132.10298	0.2
133.05193	0.9
133.06499	1.1
134.06035	0.6
134.09671	0.6
135.04405	1.4
135.06866	0.4
136.07581	6.1
137.06023	1.9
143.08479	0.3
144.05730	0.3
144.08058	0.6
145.06479	1.2
146.06017	3.0
146.07079	0.4
146.09589	0.6
147.04411	1.3
147.06757	1.1
147.07938	0.4
148.07567	5.9
149.05959	0.7
149.08379	0.5
149.09566	0.3
150.05502	1.1
151.06259	0.9
156.08096	0.3
159.08037	1.3
160.07579	1.0
161.06000	0.8
161.08356	0.5
162.05545	0.9
162.09149	5.4
163.03937	0.3
164.07086	4.5
165.07916	2.3
166.08640	3.9
166.55606	0.3
167.07085	0.4
170.09610	0.9
171.08124	0.3
172.07495	0.3
172.11259	0.5
173.05904	0.3
173.09654	0.8
174.09154	0.4
175.07547	0.3
176.07082	10.2
176.10576	0.3
177.00697	0.4
177.09100	1.7
178.08630	1.1
183.06810	0.7
184.07462	0.5
185.08417	0.3
187.06252	0.8
187.07692	0.3
188.07068	0.4
188.10748	0.8
189.07802	1.0
189.09335	1.2
190.08620	0.6
190.12271	1.7
198.09129	1.7
200.10760	0.6
201.03815	0.3
201.09106	1.1
202.08734	0.5
203.74557	0.3
204.10095	0.3
213.09113	0.4
215.10797	0.3
216.10266	1.7
218.11775	14.9
219.10141	0.7
220.13397	0.5
230.11809	1.5
232.62691	0.3
233.11772	1.0
233.19223	0.2
234.11325	1.2
240.09953	0.3
244.09648	0.7
244.13431	0.4
247.12161	0.6
255.42273	0.3
262.10834	13.3
262.14380	100.0
263.07321	0.7
263.14682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1437
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
50.35482	0.2
55.01860	0.3
60.31282	0.2
67.05502	0.3
69.03425	0.4
69.07053	0.9
69.45379	2.3
71.04986	0.4
78.53927	0.2
79.05502	0.4
81.07030	0.4
83.04945	0.2
91.05476	0.4
94.06557	1.5
97.06537	1.4
116.01595	0.2
119.04951	0.3
121.06530	0.5
122.06026	19.2
123.04425	0.4
135.85858	0.2
136.05203	0.4
136.07581	0.6
137.05959	2.5
146.05925	0.3
147.04460	0.4
148.05173	0.8
148.07549	1.6
149.01329	0.3
149.05998	0.8
150.05496	100.0
151.05856	0.5
162.02132	0.2
164.07126	0.4
165.07861	1.9
230.11746	0.7
233.11641	0.6
244.13461	0.3
244.51297	0.3
262.14377	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02382	0.4
53.03946	2.3
55.01873	0.5
55.05512	9.8
57.03432	1.6
57.07074	3.4
57.99744	0.4
65.03933	0.9
67.05506	29.0
69.07072	9.3
69.41122	3.8
71.04993	2.1
71.08628	1.3
77.03924	0.7
79.05492	44.0
81.03423	0.6
81.07057	36.2
83.04977	0.7
83.08618	4.6
85.06536	2.8
87.74353	0.4
89.30074	0.4
91.05481	21.3
93.07045	58.6
95.04980	4.0
95.08606	25.9
97.06544	3.1
97.10170	2.1
99.08094	2.6
104.77608	0.4
105.07027	14.3
107.08595	37.5
109.06524	2.2
109.10152	10.9
111.08074	2.8
111.11717	0.4
113.09613	0.9
117.07012	5.3
119.08586	11.5
119.12349	0.4
121.10142	33.2
123.08028	1.1
123.11705	3.7
125.09618	0.6
130.07697	0.4
131.08566	11.8
133.10139	9.5
135.08089	0.5
135.11693	26.7
137.09593	1.4
137.13223	1.1
145.10120	11.4
147.11691	8.2
149.09616	0.6
149.13257	19.0
151.11143	0.6
151.14842	0.8
153.12685	0.5
159.11696	8.5
161.13255	8.6
163.11157	0.5
163.14824	13.1
165.12790	1.0
171.11588	0.6
173.13274	8.2
175.14856	3.8
177.12715	0.4
177.16400	3.7
179.14330	1.2
187.14828	5.0
187.92244	0.4
189.16412	0.7
201.16293	2.3
203.17918	0.9
205.15941	1.0
215.17924	1.2
219.17447	1.0
233.22667	1.8
243.21075	24.7
261.22144	100.0
262.14331	0.9
262.22552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1186
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
56.96569	3.5
58.78873	2.3
69.90091	16.3
70.06587	2.7
70.34064	2.6
79.06299	2.4
86.09712	3.0
95.04956	3.8
97.02896	2.9
98.97560	3.5
109.87277	2.8
116.98624	4.6
117.05636	2.6
119.08585	3.0
129.07053	3.8
130.06532	49.1
131.07295	4.3
132.08081	2.9
133.07611	6.8
136.07571	3.0
143.07278	4.5
144.08081	11.0
145.07622	4.5
146.06004	18.7
147.09148	3.5
148.07559	5.4
154.06520	8.9
156.08060	8.7
157.07616	66.1
158.06015	13.9
158.08365	10.7
159.09206	8.0
160.07582	3.7
161.07065	6.5
171.09177	21.1
172.07550	6.4
173.07130	10.2
173.09583	3.0
175.08736	12.3
181.07626	7.1
182.06023	5.0
183.09213	6.1
185.07108	32.5
187.08670	3.2
189.10266	8.8
198.10265	10.0
199.08717	15.5
200.07077	6.3
203.08150	100.0
204.06549	3.5
207.19409	2.6
209.07172	3.9
216.11392	23.9
217.09752	5.0
227.08154	37.9
233.11430	3.3
244.10796	9.0
245.09219	38.2
247.11848	2.6
262.11810	52.7
262.14474	24.3
262.17026	3.4
262.22388	3.8
272.60641	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	261.2214
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
51.86910	1.1
53.03937	1.6
53.95421	1.2
55.05520	7.0
57.07073	2.6
65.03923	1.4
66.49787	1.1
67.05161	1.9
67.05504	22.9
69.07062	5.4
71.04999	1.7
79.05057	1.8
79.05499	29.5
80.40569	1.2
81.07058	30.1
83.08632	5.9
85.06543	2.8
91.05471	13.0
93.07046	42.8
95.04961	3.5
95.08610	22.8
97.06516	2.1
98.98446	1.8
99.08081	3.2
101.98866	1.1
105.07031	10.8
107.08595	28.7
109.06480	1.6
109.10153	7.7
111.08019	1.4
117.07009	4.8
119.08580	10.0
121.10138	28.8
123.11719	2.9
125.09604	1.4
129.50310	1.0
131.08591	9.4
133.10121	11.6
135.11685	20.4
137.09644	1.7
145.10107	9.2
147.11705	8.6
149.13252	17.1
151.11101	1.1
153.12717	1.3
159.11696	8.4
161.13264	7.5
163.14828	13.7
173.13264	7.5
175.08594	1.0
175.14784	3.1
177.16455	3.2
179.14310	1.5
187.14835	4.8
189.16388	1.2
201.16371	1.7
203.17978	1.7
215.17958	1.5
217.19566	1.3
233.22772	1.6
243.21111	24.9
261.03809	2.3
261.22150	100.0
262.14474	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
54.78773	0.9
55.05503	9.3
57.03437	1.4
57.07066	3.0
65.03931	1.8
67.05170	1.7
67.05505	25.4
69.07068	8.3
69.89339	1.6
69.89755	4.2
71.05000	1.8
71.08589	1.3
79.05492	40.2
81.03400	1.5
81.07059	36.6
83.04975	1.1
83.08613	4.6
85.06536	3.0
91.05478	18.7
93.07042	49.7
95.04938	2.8
95.08607	23.7
97.06523	2.5
97.10183	2.0
99.08076	2.4
105.07028	14.5
107.08594	35.7
109.06520	2.6
109.10162	12.7
110.73690	1.1
111.08125	2.1
117.07018	6.2
119.08598	13.7
121.10140	30.4
123.08049	2.0
123.11705	4.3
125.09576	1.6
131.08569	10.9
133.10132	11.2
135.08080	1.4
135.11690	25.3
136.18222	1.0
145.10126	10.9
147.11670	8.1
149.09631	1.5
149.13255	21.3
151.11113	1.0
159.11691	8.2
161.13249	11.0
163.14824	15.7
165.12769	1.0
173.13280	9.5
175.14885	2.7
177.16394	4.5
187.14807	6.4
201.16449	2.6
215.17899	1.9
243.21107	27.0
261.09061	1.8
261.14819	3.2
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03930	2.3
55.01878	0.8
55.05513	9.7
57.07066	2.5
61.65351	0.8
65.03897	0.9
67.05502	25.8
69.07060	8.3
69.41650	7.5
71.04981	1.7
71.08615	0.8
77.03900	0.9
79.05492	33.5
81.06583	1.5
81.07057	31.2
83.08607	4.3
85.06546	2.2
91.05477	17.4
93.07043	47.4
95.04954	2.3
95.08606	23.4
97.06505	2.3
97.10160	2.3
99.08080	2.2
104.41324	0.9
105.07021	11.2
107.08591	31.7
109.06511	1.8
109.10155	10.1
111.08105	1.4
115.00995	0.9
117.07011	4.9
119.08575	10.2
121.10143	30.9
123.08108	1.0
123.11722	4.3
131.08551	9.0
133.10121	9.4
135.11691	25.2
137.09596	1.8
137.13170	1.0
145.10147	8.2
147.11679	7.8
149.09717	0.9
149.13249	22.4
149.14375	1.6
159.11700	6.7
161.13213	7.7
163.14810	13.2
173.13312	6.5
175.14835	3.2
176.79402	0.8
176.81255	0.8
177.16345	4.1
179.14418	1.2
187.14809	5.0
201.16425	1.8
205.15817	1.3
224.64421	1.1
243.21094	22.7
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15478	0.8
53.03940	2.9
55.01851	1.3
55.05511	10.4
57.03440	5.7
57.07074	2.6
57.50206	0.8
65.03922	1.8
67.05505	41.4
69.03428	0.9
69.07069	7.9
69.89726	5.5
71.04982	2.1
71.08619	1.7
75.00043	1.1
79.05495	41.5
81.07057	33.3
83.08630	7.1
85.06540	2.1
91.05481	21.2
93.07044	54.7
95.04965	3.5
95.08607	25.3
95.09152	0.6
97.06534	2.8
97.10149	2.3
98.21497	1.0
99.08091	3.1
105.07030	17.6
107.08595	35.9
109.06535	1.8
109.10154	25.6
111.08060	2.3
117.05524	5.5
117.07005	6.9
119.08591	11.0
121.10145	31.6
123.11681	4.6
125.09597	1.4
127.11200	3.9
129.06932	0.9
131.08560	10.6
133.10126	14.6
135.08049	1.5
135.11694	26.3
137.09622	1.3
137.13246	2.0
143.06984	1.7
145.04999	1.2
145.10120	11.0
147.11685	8.9
149.09622	1.0
149.13258	18.1
151.11147	3.9
159.11693	6.8
161.13286	7.7
163.11244	0.9
163.14832	15.6
165.12819	1.1
169.12239	1.5
173.11856	1.6
173.13206	6.5
175.14824	3.1
177.16360	5.1
187.14830	4.4
201.16385	2.1
203.02838	0.9
203.17976	1.2
215.17860	0.9
219.17471	0.9
233.22638	1.6
243.15942	1.9
243.21065	26.1
257.50540	0.8
261.18802	3.1
261.22147	100.0
262.22534	1.1
282.43951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.70139	0.9
53.03928	2.7
55.01869	1.1
55.05511	10.2
57.03424	1.5
57.07063	2.3
65.03938	1.6
67.05506	34.2
69.06789	0.9
69.07072	10.7
71.04977	2.2
71.08627	2.0
71.28368	0.8
77.39784	1.0
79.05495	45.8
81.07060	42.6
83.04958	1.4
83.08617	6.8
85.06525	3.2
91.05482	22.6
93.07044	60.7
95.04962	4.3
95.08608	27.4
97.06520	2.7
97.10141	3.5
98.20703	2.1
99.08099	2.6
105.07030	16.1
107.08595	36.3
109.06541	1.7
109.10158	11.3
109.73679	0.9
110.65173	0.8
111.08057	3.6
117.07019	6.0
119.08571	12.6
121.10146	36.1
123.08108	1.0
123.11685	3.0
125.09620	1.1
129.06824	1.0
131.08568	11.5
133.10133	11.4
135.11697	29.3
137.13219	1.3
145.10123	12.4
147.11697	9.2
149.13255	24.2
151.14795	1.4
153.12772	1.0
159.11731	6.8
161.13243	10.4
163.14832	18.7
165.12776	1.5
173.13275	10.0
175.14812	3.1
177.16364	5.1
187.14832	4.4
189.16418	1.1
201.16452	2.1
215.17906	1.3
243.21095	28.2
261.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Suprofen
Peak:m/z	Relative Intensity
56.96566	1.7
56.97460	1.1
57.03433	2.0
57.14972	1.1
67.29594	1.0
68.35908	1.1
69.03441	1.3
69.07068	1.4
70.06618	1.5
71.02318	3.2
71.04997	1.2
72.08168	1.4
84.04519	2.8
84.08142	5.2
85.02904	2.9
85.08480	1.4
86.09705	9.3
87.10093	1.2
95.35436	1.2
97.02925	1.8
98.97614	2.9
99.04441	2.7
101.00892	3.0
102.05518	1.1
115.02399	1.9
116.98639	2.2
119.01933	10.5
121.01682	2.2
124.07594	1.1
130.05086	2.5
131.01917	3.1
133.03459	6.4
143.01866	1.7
145.03516	2.0
146.99623	1.3
147.07649	2.2
149.02959	2.0
151.04512	1.6
158.99721	1.9
159.05048	2.1
161.02969	1.7
169.01158	1.9
171.05107	1.7
173.02948	3.1
177.00711	2.5
189.02406	2.0
189.06099	3.1
191.04048	2.0
195.04820	2.0
201.03926	2.3
201.06052	1.5
203.04007	2.7
219.01762	4.0
221.05113	5.0
222.57066	1.2
229.03300	23.1
230.02747	1.1
237.02736	2.6
243.04688	3.7
261.03452	3.6
261.05847	100.0
261.09424	42.3
261.14429	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	261.0911
Annotation	Biotin sulfoxide
Peak:m/z	Relative Intensity
55.05497	1.5
56.84931	0.8
56.96558	1.1
57.78988	0.7
67.05492	2.1
69.07150	0.7
69.90961	0.7
71.58356	1.0
79.05466	1.0
81.07035	2.1
91.05479	1.3
93.07024	1.0
95.08586	1.8
95.96828	0.7
105.07016	1.1
107.08551	1.5
109.10170	0.9
110.10524	0.8
121.10120	0.9
133.10097	1.4
145.10213	0.8
149.09705	0.7
159.11732	0.7
190.07822	1.3
191.08563	2.0
202.07780	59.2
203.08275	2.7
203.17821	0.8
204.09294	1.5
205.10107	4.6
211.64925	0.8
215.08565	77.6
216.09300	13.2
217.10138	54.2
218.10439	2.1
219.08052	4.4
233.09627	11.3
243.08011	41.9
243.20964	1.4
244.08516	1.3
261.09109	100.0
261.18555	1.7
261.22037	3.2
262.09424	3.3
277.46701	0.9
278.73526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0305
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
61.01447	0.1
71.57560	0.2
82.99883	0.2
97.12803	0.1
98.97572	0.2
101.00864	1.0
105.28462	0.1
106.90815	0.1
109.98479	0.1
110.87541	0.1
116.98596	0.3
119.01922	6.8
120.02013	0.2
122.97827	0.1
133.01607	0.1
134.99818	0.5
137.01968	0.2
137.02960	2.3
140.98795	0.2
142.03500	0.2
153.00887	0.3
158.99872	0.6
161.02943	0.2
165.99664	0.2
175.02994	0.3
177.00957	13.0
178.01036	0.5
179.00673	0.2
182.99971	0.3
193.04128	0.3
195.02026	0.4
200.02531	0.3
201.00940	0.8
201.02632	0.1
209.98625	0.1
211.01360	0.2
217.04088	2.6
218.03827	0.3
219.02003	19.8
220.02165	0.8
221.01761	1.1
222.01813	0.2
224.00229	0.1
225.00844	2.2
226.00912	0.1
227.99564	0.2
237.03058	0.2
237.98634	0.5
238.05862	0.1
238.98358	0.2
242.03690	0.7
243.01985	7.0
244.02335	0.2
255.51431	0.1
260.04553	0.1
261.03055	100.0
262.03192	3.4
263.03455	0.4
266.03561	0.4
275.04468	0.1
279.00641	0.4
281.97409	0.1
284.04657	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	260.1281
Annotation	Ravesilone
Peak:m/z	Relative Intensity
55.05511	1.0
56.96554	1.5
57.07053	0.7
67.05479	2.2
68.05824	0.6
69.07077	0.9
69.54575	0.5
71.17097	0.5
71.58583	1.0
78.53313	0.5
79.05475	2.1
80.05840	1.0
81.07042	2.6
82.07379	0.6
83.08604	0.8
89.00343	0.5
91.05489	3.9
92.05800	2.2
93.07042	2.0
94.07342	0.9
95.08611	1.3
96.08947	0.7
97.45049	0.6
97.45731	0.6
103.14883	0.5
105.03412	1.0
105.07032	6.1
106.07378	4.2
107.08611	1.1
108.08916	1.2
109.10126	0.7
117.07026	1.3
117.48502	0.6
118.07310	0.8
119.08593	3.7
120.08919	3.0
129.07014	0.6
130.07298	0.6
131.08607	1.4
132.08893	1.7
133.10126	2.7
134.10484	2.8
136.12044	0.5
143.08578	0.8
144.08984	1.2
145.10143	1.2
146.10458	1.8
147.10562	0.8
147.11681	2.3
148.12019	2.5
157.10072	0.7
158.10513	1.0
159.11671	0.9
160.07574	0.7
160.12033	1.5
161.04707	2.5
161.13249	1.4
162.05499	2.7
162.13582	2.3
172.12041	1.2
172.94319	1.5
174.05522	3.6
174.13489	0.9
175.06258	0.8
175.11082	0.6
176.07059	6.2
176.15143	1.0
177.74252	0.6
185.13263	0.8
186.02533	0.9
186.13660	1.6
188.03426	0.6
188.07137	1.8
189.04184	5.6
190.04971	14.0
190.95311	2.5
195.95876	1.1
202.04988	19.8
203.05769	1.3
204.06566	3.0
205.07327	2.0
213.96826	1.3
216.06554	14.0
217.07231	1.4
227.09401	2.2
229.14342	1.3
230.08162	1.3
232.13258	2.6
232.21411	0.8
242.19810	3.4
244.09818	0.9
245.10461	34.1
245.82925	0.7
248.59102	0.6
260.12830	100.0
260.20880	25.0
261.13052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.97363	1.6
53.58121	1.9
55.05510	9.4
56.96569	1.6
57.03387	1.7
57.07061	7.7
62.14499	1.5
67.05508	19.2
69.03403	2.1
69.07057	9.9
71.08633	13.4
71.59915	3.1
72.08156	2.5
76.56289	1.5
79.05502	11.1
81.07069	16.5
83.08614	5.8
85.06546	2.8
90.09175	1.8
90.26057	1.7
91.05483	25.6
93.07055	15.0
95.04900	3.5
95.08617	12.6
97.06545	9.0
99.08083	8.9
105.07036	70.2
107.04951	2.2
107.08608	8.8
109.10186	4.1
117.07001	20.5
119.08580	20.6
121.06501	3.7
121.10138	6.2
128.06221	5.4
129.01872	3.9
129.07011	14.2
130.07755	1.9
131.08569	21.7
133.06520	1.9
133.10139	16.1
135.08073	2.7
135.11679	3.4
135.25090	1.8
142.07738	2.5
143.08560	27.7
145.10124	35.9
147.08012	2.9
147.11681	22.7
149.13242	4.7
157.10156	13.1
159.11687	17.0
161.09634	3.5
161.13268	26.0
163.11150	3.1
171.11690	16.3
173.13266	16.3
175.11171	2.4
175.14851	12.5
177.12682	1.7
177.56665	1.9
185.13258	17.4
187.14801	2.7
189.12749	7.9
190.95319	2.2
199.14850	15.3
201.16417	5.1
202.95958	1.8
203.14384	2.1
213.96921	2.8
215.17958	3.2
231.21237	2.9
241.19527	38.4
259.07553	5.5
259.11874	2.7
259.17041	5.8
259.20590	100.0
259.28250	13.6
260.20972	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05494	9.8
57.07052	3.7
67.05486	10.4
69.07061	40.3
71.04665	2.2
71.04997	28.5
71.20551	2.9
71.20911	5.3
79.05472	5.1
81.07053	17.1
83.04983	6.5
83.08614	8.5
85.06548	21.2
91.05477	12.2
93.07043	17.1
95.04995	5.2
95.08601	17.0
97.06562	4.0
105.03439	2.6
105.07029	32.4
107.08556	18.2
109.06493	8.9
109.10159	13.8
111.08101	20.9
117.07030	9.3
119.08579	57.1
121.10152	11.6
123.08050	2.8
123.11703	26.0
131.08545	11.5
133.10141	30.1
135.08058	23.9
135.11682	4.6
137.09569	3.7
143.08560	8.0
145.10130	30.9
147.11678	21.9
157.10152	11.7
159.11702	27.1
160.12494	3.2
161.09592	3.8
161.13252	36.8
163.11174	3.2
170.10918	2.7
171.11714	16.2
173.13231	7.3
175.14832	93.1
176.15573	7.0
177.12737	6.3
177.16362	5.0
185.13261	17.3
189.12749	4.3
189.16412	9.3
199.14786	6.3
201.16393	29.5
203.14291	9.5
215.17868	7.6
220.83174	2.7
241.19528	18.9
259.20575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.34197	3.7
52.44580	4.1
52.79831	3.7
55.05507	10.3
57.07072	12.3
60.32835	3.9
67.05492	10.9
69.07064	5.6
69.49846	33.0
74.73297	3.5
79.05489	11.0
81.07062	12.0
83.08637	5.6
91.05504	20.3
93.05017	3.3
93.07051	12.6
95.04935	4.6
95.08602	11.9
97.06516	4.9
105.03398	25.8
105.07039	58.1
107.08611	10.4
117.07055	19.3
119.08581	30.5
121.10207	6.2
129.06996	11.4
131.08614	25.7
133.10123	28.7
143.08554	13.5
145.10153	18.8
147.11676	19.7
157.10184	12.1
159.11710	45.7
161.13275	15.4
162.18221	3.6
171.11694	11.3
172.94272	4.6
173.13263	22.1
175.14821	9.3
181.06519	6.4
185.13287	23.7
188.32159	3.7
199.14853	14.3
241.19571	20.5
259.07806	5.1
259.11255	11.9
259.20593	100.0
259.23459	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	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01868	0.9
55.05508	5.9
56.96559	0.5
57.03427	1.1
57.07058	1.6
59.88498	0.4
62.54123	0.4
65.03918	0.7
67.05507	13.8
69.03426	0.4
69.07068	5.7
69.64204	0.4
70.85184	1.0
70.85558	0.9
71.04984	1.4
71.08620	1.0
73.06514	0.4
79.05492	10.9
81.03436	0.5
81.07057	13.6
81.08917	0.5
83.08617	2.4
85.06522	0.9
91.05480	24.8
93.07045	13.5
95.04957	1.7
95.08046	0.8
95.08603	8.7
96.05510	0.4
97.06510	2.3
97.10169	1.1
99.08063	1.5
103.05470	0.9
105.07027	37.2
106.07346	0.6
106.90710	0.6
107.04944	0.6
107.08598	8.0
109.06537	0.6
109.10164	3.2
111.08083	0.9
115.05452	1.0
117.07021	9.3
119.08581	31.2
121.06464	0.6
121.10153	5.8
123.08046	0.8
123.11698	0.7
128.06229	0.9
129.07021	4.9
130.07750	0.6
131.08566	12.7
131.18275	0.5
133.10130	26.0
135.08075	1.4
135.11710	3.9
137.09576	0.5
140.03203	0.5
142.07765	1.2
143.08556	5.5
144.09412	0.5
145.10121	12.2
147.08066	0.8
147.11687	20.8
149.09607	1.5
149.13216	2.6
151.11191	0.6
157.10129	5.7
159.11696	11.5
161.09625	1.0
161.13255	13.8
163.11182	0.8
163.14865	0.6
171.11681	8.0
173.13264	5.4
175.11217	0.9
175.14827	7.3
177.12798	0.8
185.13275	5.7
187.14792	1.6
189.12714	1.2
189.16408	0.5
190.95274	0.5
199.14832	4.3
201.16345	1.2
202.07820	2.5
203.08487	1.4
203.14331	0.9
213.16321	1.7
213.96840	0.5
215.05338	0.9
215.18042	1.1
216.06508	0.6
217.15831	0.6
231.08069	4.4
231.21027	2.7
241.19502	15.2
242.07362	0.6
244.09367	1.0
247.58064	0.5
258.06747	3.1
259.07541	26.0
259.11520	2.9
259.20569	100.0
260.07944	2.0
260.20837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Bactacine
Peak:m/z	Relative Intensity
53.34530	4.7
57.07079	6.1
59.95707	3.8
63.06326	4.3
67.05505	5.8
69.07063	10.0
70.11372	24.4
72.15062	4.6
81.07070	34.5
91.05486	7.0
93.07040	9.9
95.04987	5.2
95.08615	15.9
98.21400	7.0
105.03400	24.2
105.07005	14.4
105.09107	4.9
107.08587	9.5
109.10146	9.8
111.08050	5.4
112.79176	4.2
117.06999	5.3
119.08587	15.8
123.11723	53.3
131.08598	5.6
133.10164	9.8
135.08052	7.2
145.10155	12.4
147.11710	9.9
148.71353	4.6
157.10052	6.4
159.11711	11.6
171.11714	5.8
171.58987	6.2
173.13377	6.5
175.14906	7.8
181.06441	7.1
201.16470	8.3
241.19606	9.7
251.06882	4.7
259.11133	11.0
259.20596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03951	0.6
55.01872	0.7
55.05516	6.7
56.96576	0.5
57.03432	1.2
57.07086	1.6
63.14479	0.4
65.03949	0.8
67.05508	14.6
69.07072	5.0
70.10130	1.1
70.10540	0.5
70.69065	0.3
71.04998	1.8
71.08627	0.3
77.03986	0.3
79.05495	11.8
80.20673	0.3
81.07060	14.6
81.87795	0.3
83.04996	0.7
83.08611	2.6
84.88587	0.3
85.06544	1.5
91.05484	27.1
93.07051	12.9
95.04981	2.1
95.08608	10.3
97.06541	2.1
97.10181	0.8
99.08105	1.1
103.05471	1.1
104.06243	0.4
105.07035	38.7
107.04979	0.4
107.08598	7.9
109.06516	0.7
109.10153	4.1
111.08097	1.2
113.09603	0.5
115.05454	0.9
117.07019	9.1
119.08588	32.8
121.06527	0.6
121.10139	5.1
123.08051	0.4
123.11713	1.1
125.09652	0.3
128.06229	1.5
129.07005	5.5
130.07771	0.6
131.08578	13.5
131.54747	0.3
132.09402	0.6
133.06517	0.6
133.10133	25.9
135.08063	1.0
135.11696	4.0
137.09668	0.5
142.06767	0.3
142.07820	0.9
143.08566	6.1
144.09335	0.4
145.10127	11.7
147.08073	1.0
147.11690	20.5
149.09604	0.9
149.13252	2.3
151.11192	0.6
151.37300	0.3
155.08601	0.4
156.09367	0.3
157.10146	6.2
158.10788	0.3
159.11696	11.1
160.12460	0.4
161.09642	1.3
161.13263	14.0
163.11220	1.0
163.14879	0.9
165.12825	0.4
169.10135	0.5
171.11696	8.0
173.13275	6.3
175.11205	1.3
175.14839	7.9
177.12762	1.3
183.11679	0.5
185.13271	7.3
187.14850	1.2
189.12732	1.3
189.16342	0.6
190.95326	0.3
197.13322	0.3
199.14835	4.6
201.16440	1.1
203.14316	0.8
213.16374	1.6
215.17943	1.3
217.15916	0.7
217.19601	0.6
231.08131	0.3
231.17523	0.5
231.21057	2.7
241.19521	17.0
259.07495	1.1
259.20584	100.0
260.12881	0.5
260.20935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03936	0.7
55.01871	0.7
55.05513	6.3
56.96552	0.4
57.03445	1.6
57.07077	2.2
58.85123	0.3
62.95420	0.3
65.03931	0.5
67.05505	15.2
69.07069	5.1
70.56287	0.3
71.04986	1.7
71.08621	0.6
71.58575	0.3
71.58965	0.5
79.05495	10.9
81.07059	14.5
83.04972	0.4
83.08601	2.5
85.06532	1.3
91.00487	0.3
91.05480	28.4
93.07045	12.6
95.04960	1.4
95.08607	9.7
97.06517	1.4
97.10176	0.7
99.08091	1.4
102.66637	0.4
103.05445	1.2
105.07030	39.1
107.08591	7.6
109.06481	0.6
109.10158	3.4
111.08058	0.8
113.09628	0.4
115.05440	0.6
117.07026	9.7
118.07805	0.4
119.08581	29.8
121.06471	0.4
121.10132	4.8
123.08068	0.6
123.11694	1.0
128.06227	1.0
129.07005	4.9
130.07784	0.7
131.08569	13.3
132.09338	0.4
133.10132	28.6
135.08051	1.0
135.11708	3.1
137.09610	0.8
142.07808	0.4
143.08553	5.8
144.09337	0.4
145.10126	12.4
145.11852	0.5
146.10789	0.3
147.08107	0.6
147.11688	22.6
149.09613	0.8
149.13257	1.7
151.11191	0.8
157.10130	5.8
159.11700	12.1
161.09607	0.8
161.13254	12.4
163.11179	1.0
163.14810	0.6
169.10078	0.4
171.11699	7.5
173.13281	6.0
175.11188	1.2
175.14841	5.8
177.12752	1.1
182.23343	0.3
183.11656	0.4
185.13271	7.0
187.14813	1.2
189.12762	0.8
189.16423	0.6
190.95284	0.8
199.14812	4.2
201.16270	0.6
203.14340	0.6
213.16368	1.3
213.97009	0.4
215.17950	1.2
217.15968	0.5
217.19479	0.4
224.32668	0.4
231.17409	0.5
231.21083	2.1
241.19505	14.4
249.73286	0.4
259.07550	1.2
259.20575	100.0
259.27905	1.8
260.07962	0.3
260.20831	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1669
Annotation	O-1821
Peak:m/z	Relative Intensity
53.91993	0.3
57.07065	1.2
67.05475	0.4
69.07071	0.6
70.60558	1.0
72.08143	1.8
73.08495	0.7
79.05497	0.9
81.07043	0.6
87.51993	0.4
90.09184	1.3
91.05474	0.9
98.21410	0.4
105.07014	0.9
119.08562	1.2
121.10169	0.4
129.06949	0.4
129.48639	0.4
131.08510	0.8
133.10127	0.7
145.10060	0.6
159.11739	0.7
169.03429	0.9
173.13194	0.5
185.13237	0.5
190.95284	0.6
201.16353	0.7
230.99562	0.4
241.19521	0.6
259.07571	1.6
259.16708	100.0
259.28278	12.1
260.17007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03933	1.0
55.01875	4.9
55.05517	1.9
57.03435	2.2
63.69721	0.5
65.06587	0.5
65.52666	0.6
67.05511	4.4
68.54312	0.5
69.03433	1.8
69.06720	1.1
69.07073	15.2
69.56773	4.2
71.04986	0.5
73.02818	0.7
73.97543	0.5
79.05500	13.7
81.07066	1.2
83.04984	0.8
83.08575	0.6
85.02955	0.7
89.03919	6.5
91.05491	1.1
93.07048	0.8
95.04980	2.3
97.06540	100.0
98.97595	0.6
105.03368	1.1
105.07033	1.3
107.04971	1.0
107.08662	1.0
117.03382	5.1
117.07043	0.9
129.07036	1.2
131.04910	0.8
133.02867	4.2
133.10138	0.7
134.03604	0.6
135.04416	8.7
141.06955	0.7
145.02847	5.8
147.04408	1.3
157.10046	0.5
159.04471	5.0
159.11723	0.6
161.02356	19.8
163.03917	42.7
169.06479	0.8
173.02361	41.2
175.03825	0.5
185.05977	2.2
186.03078	1.2
187.03918	1.5
187.07611	1.5
215.07050	51.1
231.08014	0.9
241.08611	0.8
241.19601	0.6
259.09677	31.3
259.16916	1.1
259.20581	0.8
269.68124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
56.96563	0.5
56.96911	0.5
57.07088	0.6
67.05486	0.8
69.07062	1.9
71.04959	0.9
71.59060	0.6
77.02348	0.5
78.21371	0.6
79.05476	2.0
81.07056	1.3
85.02888	0.9
87.09371	0.6
89.03918	0.6
91.05496	0.9
93.07037	1.7
95.04952	0.9
95.08617	1.0
97.06530	5.9
97.10149	0.5
105.07040	1.4
107.08588	0.8
109.10143	1.3
119.08572	0.7
121.10120	0.8
125.09693	0.6
127.03859	0.6
133.10129	1.3
137.05922	0.6
145.10094	0.7
147.11609	0.8
149.13232	0.6
159.11687	0.8
161.02328	1.0
163.03925	3.1
171.11742	0.8
173.02368	2.1
202.07785	16.3
203.08545	8.9
213.07004	1.0
215.06989	3.7
217.04895	0.8
224.66145	0.6
231.08057	44.2
232.08369	0.9
235.07472	3.5
239.21646	0.6
242.07295	2.7
246.06821	5.1
249.09100	0.7
258.06750	10.1
259.07547	100.0
259.20605	1.7
259.24323	1.7
260.07654	1.2
263.06946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03932	0.9
55.01862	4.0
55.05513	1.9
57.03428	2.2
61.88990	0.5
64.02590	0.5
67.05507	4.0
69.03416	1.6
69.07070	11.3
70.65630	1.9
79.05492	12.1
80.34306	0.5
81.03410	0.7
81.07078	0.8
89.03909	5.5
91.05501	0.9
95.04967	1.6
95.08590	1.0
97.06530	100.0
105.07059	0.6
107.04961	1.5
107.08555	0.7
115.05452	1.1
116.56638	0.5
117.03379	6.1
133.02840	3.8
134.03636	1.3
135.04413	9.3
141.06985	0.7
145.02823	5.9
147.04434	1.3
159.04428	4.3
161.02344	18.2
163.03906	44.3
173.02347	35.4
185.05933	1.1
187.04102	1.0
187.07510	1.1
215.07024	47.4
231.08185	0.7
241.08473	1.0
259.09677	27.3
259.20563	1.1
265.57095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05507	7.3
56.96552	1.6
57.03450	2.3
57.07063	2.6
67.05507	13.7
69.07065	5.8
70.93753	2.6
70.94115	2.2
71.04984	4.3
74.95217	1.1
79.05490	5.3
81.07064	11.2
83.04974	2.1
83.08606	4.1
85.06542	3.3
86.21499	1.2
91.05472	10.9
93.07046	8.3
95.04964	6.4
95.08607	11.4
97.06547	2.5
97.10133	1.3
99.08091	2.6
101.64832	1.2
105.07018	10.9
107.08600	6.5
109.06496	4.6
109.10165	10.2
111.08094	1.2
115.05460	1.3
116.98598	1.3
117.07037	13.7
119.08571	15.9
121.10143	14.4
123.08063	1.7
128.06230	3.4
129.07004	11.3
131.08572	25.4
133.10135	10.6
135.08040	5.7
135.11671	2.1
137.09636	4.1
141.06984	3.1
142.07759	3.8
143.08553	14.9
144.09349	2.8
145.10124	45.3
147.08061	1.5
147.11673	3.5
149.09619	3.4
154.07713	2.1
155.08545	5.5
156.09346	1.7
157.10138	20.3
158.10905	2.6
159.08072	1.7
159.11687	30.9
161.09639	3.5
161.13173	1.5
163.11171	1.7
168.09407	2.3
169.03392	1.4
169.10115	7.9
171.11705	15.4
173.09566	2.6
173.13261	24.6
174.14034	1.9
175.11169	3.9
175.14796	2.5
177.12688	1.6
181.10020	1.5
182.10915	1.3
183.11691	13.0
184.12393	2.3
185.13266	8.3
187.11133	3.7
187.14786	3.0
189.12688	1.7
197.13223	12.0
199.14842	13.1
201.12753	6.7
210.14085	1.5
211.14825	2.2
213.16388	6.9
214.13567	1.3
214.17218	1.6
215.14363	2.4
215.17969	4.0
225.09013	1.3
229.19525	2.5
239.07072	8.0
239.17969	23.8
257.11551	3.2
257.13916	3.5
257.19012	100.0
257.26752	5.2
258.19308	3.0
258.27960	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	258.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.6
57.07045	3.9
60.08161	8.9
61.77271	2.9
67.54962	2.6
68.05048	2.9
69.03433	4.9
70.06593	4.9
71.59305	3.9
72.93773	4.6
80.39202	3.1
83.06130	4.3
84.04504	3.3
84.08132	2.7
85.02911	13.7
86.09718	14.3
95.06082	4.8
97.02882	12.8
104.10748	100.0
110.07169	23.6
116.07097	7.3
119.01891	5.4
125.00007	24.5
127.03944	3.4
133.03442	5.1
150.96909	6.7
150.98318	2.6
159.40929	2.8
168.04477	5.4
184.07378	5.8
212.10303	7.3
212.13924	26.8
215.97284	3.7
216.97993	3.5
233.05170	4.5
234.98965	4.7
258.07520	17.2
258.11011	27.5
258.14520	47.2
259.04257	16.1
262.80109	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	258.1126
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
55.05503	1.0
56.96556	0.9
79.05501	1.0
81.07017	1.0
97.06536	1.5
107.08540	1.2
119.08527	0.8
131.08636	0.9
132.08913	1.1
141.05766	0.7
143.08601	0.9
145.10068	1.8
146.10480	2.4
156.08075	0.9
159.02042	0.8
160.11972	0.9
161.04646	1.0
172.03870	2.5
172.07605	1.6
174.05449	0.9
175.06279	4.6
176.07008	0.9
184.07454	1.1
185.13264	1.0
186.05505	12.2
188.03404	0.8
188.07095	3.3
189.04146	1.1
190.05104	0.9
197.08397	2.5
198.09047	1.8
198.13477	1.1
199.09904	1.1
200.03444	3.0
200.07060	6.4
201.07755	2.0
202.04880	0.9
203.05728	1.8
208.05762	0.9
210.05455	1.2
212.06996	2.6
212.10561	1.9
214.04994	31.7
214.08331	1.2
215.05768	5.8
215.09373	2.3
216.06396	1.7
225.07823	3.8
226.08475	1.3
228.06509	11.7
229.07367	7.0
230.08353	3.8
230.11810	16.9
230.24840	1.0
240.10234	2.8
242.08067	2.2
243.08917	34.9
244.09132	0.9
258.11264	100.0
258.19067	3.9
259.11557	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91693	1.2
56.80008	1.0
58.99884	1.3
62.02562	1.2
63.31053	1.1
69.03456	1.1
70.06597	3.4
70.64573	2.4
70.64933	2.6
72.08150	2.8
72.93738	1.1
74.00669	2.1
77.00871	1.3
84.04509	4.8
84.08129	5.2
85.02920	2.3
86.09695	2.1
97.02876	3.3
97.88066	1.2
100.02208	31.8
101.00908	3.6
104.62022	1.3
111.04409	1.3
118.03246	1.7
119.01929	17.1
127.03979	1.3
129.10268	2.6
131.01982	1.3
133.03450	7.2
134.28693	1.1
137.02971	4.8
139.00029	1.4
139.03918	1.2
140.03436	3.7
143.08574	1.4
146.02701	36.0
149.02986	2.3
151.04567	2.9
158.04494	3.2
161.03021	2.4
171.01305	2.8
175.00893	11.0
186.03944	2.1
187.94121	1.4
189.02440	12.0
193.01967	6.1
199.02180	15.9
200.05586	3.0
213.06964	7.2
217.01962	16.3
235.02953	11.2
241.03197	8.4
259.04285	100.0
259.07416	12.2
259.16669	1.6
259.20370	1.2
277.04208	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.4
56.96566	1.7
57.03409	1.7
63.45593	1.3
66.05078	1.3
66.11509	1.2
68.03168	1.3
70.70229	5.1
71.04974	1.5
84.08132	3.1
85.02905	2.4
85.82044	1.4
86.77378	1.4
87.97206	1.4
95.08630	1.6
97.02878	4.9
111.05559	2.1
113.33959	1.5
116.98534	1.8
129.10196	2.8
137.05994	1.5
151.70497	1.3
163.03914	2.5
192.93529	1.5
194.98558	1.5
213.05560	1.8
237.02496	1.5
241.15607	1.7
259.04239	100.0
259.16541	1.9
274.17877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.85281	1.1
55.05508	9.1
57.03429	6.2
57.07068	2.0
67.05174	1.7
67.05505	23.9
68.16332	1.1
69.07061	3.5
69.85316	8.1
71.08678	1.2
79.05489	7.9
81.07048	10.5
83.08611	3.8
85.06523	1.6
89.72080	1.3
90.42242	1.4
91.05470	12.4
93.07022	5.1
95.04935	1.9
95.08620	10.3
97.06522	1.8
97.10158	1.8
99.08099	1.6
105.07027	13.0
107.08585	4.9
109.10155	8.1
109.87481	1.4
115.05467	1.3
117.07019	15.3
119.08559	6.6
121.10115	2.1
128.06201	5.7
129.07011	13.7
130.07753	4.0
131.08565	30.5
133.10088	6.4
135.11737	1.4
141.06998	2.9
141.56477	1.4
143.08562	25.2
145.06448	1.8
145.10123	100.0
146.87296	1.3
147.08025	2.3
147.11691	4.1
155.08589	6.8
157.10126	13.8
159.11685	20.3
161.13266	1.9
169.10077	7.1
171.11693	16.2
173.09692	1.8
173.13297	6.6
175.11108	2.5
183.11713	15.5
185.13255	24.7
187.11230	1.7
187.14775	1.3
197.13283	11.5
199.14868	3.7
211.14856	2.7
229.10115	4.7
229.19614	2.6
239.08643	2.5
239.17975	19.5
243.08940	2.2
257.09766	6.5
257.19022	86.9
257.26584	2.3
258.11319	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.02959	1.9
55.05499	8.2
57.07063	5.8
59.05007	2.5
67.05505	19.3
69.07067	5.6
69.80191	4.0
69.80600	9.4
70.06597	3.9
71.04980	4.1
72.08144	8.2
74.91907	1.8
79.05484	7.1
81.07063	9.9
83.08607	2.7
85.06550	4.0
88.07635	3.9
90.09178	7.2
91.05475	11.7
93.07047	16.1
95.04942	4.4
95.08622	12.5
97.06581	3.0
105.07037	24.5
107.08607	13.0
109.06514	7.4
109.10155	12.3
111.08056	2.8
116.06252	2.1
117.07024	11.6
119.08584	15.6
121.10150	58.0
123.08030	3.5
125.09584	2.4
128.06194	5.1
129.06995	9.1
131.08563	22.5
133.10138	10.0
135.08040	18.3
137.09654	6.7
141.06961	4.2
142.07780	3.8
143.08556	20.4
144.09319	2.0
145.10129	62.1
145.11292	3.5
147.11702	5.1
149.09610	3.1
151.02382	5.6
155.01886	2.7
155.08569	8.3
157.10138	21.2
159.11691	21.0
161.09676	3.3
161.13313	2.6
168.09373	3.1
169.03467	39.0
169.10165	10.6
171.01384	6.1
171.11737	19.4
173.13263	19.0
175.14886	2.6
183.11719	13.7
183.93643	1.9
185.13336	4.8
187.11188	5.4
187.14832	4.0
189.12766	4.7
197.13290	11.2
199.14806	25.7
201.12750	4.5
211.14827	2.6
213.16379	8.3
215.14240	2.4
215.17899	3.7
217.50771	2.0
229.19527	2.6
235.11745	12.4
239.17967	19.5
257.19028	100.0
257.26672	30.3
258.19269	3.4
258.27963	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	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
53.29138	1.1
55.05511	11.0
57.03437	2.1
57.07059	4.3
65.03924	1.4
67.05169	2.1
67.05506	27.6
69.07065	3.9
70.06614	1.5
71.04985	1.6
71.08631	1.5
71.58884	2.0
72.08141	3.5
79.05505	6.0
81.06726	1.0
81.07066	11.5
83.04982	1.4
83.08603	3.3
84.12582	1.1
85.06544	1.9
88.07640	2.2
90.09196	1.4
91.05480	10.9
93.07040	7.5
95.04953	2.8
95.08612	7.5
97.06509	1.3
97.10172	1.7
98.97562	1.4
105.07048	9.8
107.08591	5.1
109.10163	7.5
111.08031	1.9
115.05420	1.8
117.07005	15.8
119.08598	6.7
121.06509	1.2
121.10118	5.0
128.06221	4.8
129.07010	10.8
130.07780	4.3
131.08574	34.6
131.09521	2.3
133.06468	2.1
133.10092	5.8
134.99609	1.9
141.06970	3.8
142.07787	2.6
143.08571	21.1
145.10126	100.0
146.10431	1.4
147.07980	2.2
147.11696	3.5
154.07785	1.7
155.08595	5.8
157.10146	10.9
159.11699	18.5
161.09621	2.9
161.13237	2.3
163.11179	1.9
169.03487	2.9
169.10146	11.0
171.11684	23.0
173.09612	1.8
173.13292	7.3
175.11140	1.9
183.11667	15.4
185.13281	7.9
187.11266	1.9
187.14758	2.0
197.13274	11.4
199.14819	5.3
211.12453	1.6
211.14784	2.7
213.16394	2.4
215.17914	2.1
229.06433	4.0
229.19548	2.6
239.11801	1.2
239.17957	22.8
257.05869	8.7
257.19022	87.4
257.26678	16.4
257.29611	2.4
257.30240	2.1
258.19440	2.0
258.27972	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.0
57.03432	9.5
65.03307	2.1
67.05511	25.1
69.07067	7.1
69.34500	21.2
71.04983	3.9
79.05487	7.6
81.07062	17.4
83.08618	4.8
85.06551	5.0
91.05466	15.6
92.91503	2.1
93.07053	7.0
95.04980	3.7
95.08599	12.2
97.06521	2.9
99.08105	4.1
105.07029	11.7
107.08609	6.7
109.10146	13.6
115.05444	3.7
117.07033	21.9
119.08583	9.3
121.06477	2.6
121.10088	3.3
128.06232	3.0
129.06985	19.9
130.07788	2.1
131.08582	32.7
133.06485	2.4
133.10141	9.1
135.11708	2.4
141.06989	4.9
142.07767	2.7
143.08554	21.8
145.10124	79.9
147.08063	2.5
147.11688	7.1
150.71599	2.1
151.11206	3.6
155.08563	6.1
157.10139	15.2
159.11674	29.8
161.13257	2.4
162.03537	2.7
169.10129	9.9
171.11734	15.7
173.11882	3.1
173.13208	11.2
183.11681	14.3
185.13263	42.4
187.14786	2.1
197.13258	8.9
199.14891	4.3
201.16423	2.2
212.37749	2.0
229.19527	3.6
239.17992	27.3
257.05942	3.9
257.13470	4.8
257.19034	100.0
257.26764	3.9
258.11273	6.2
258.22516	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03915	5.1
54.13449	1.2
55.01853	3.0
55.05510	22.8
56.42280	1.1
57.03435	49.2
57.07050	3.8
67.05503	80.2
69.03402	2.3
69.07066	22.1
69.85674	7.7
71.01322	4.2
71.04996	8.1
79.05492	75.4
80.05795	1.4
81.03410	11.5
81.07053	39.7
83.04980	21.8
83.08598	6.6
85.06550	8.1
91.05474	29.6
93.07039	81.8
93.37740	1.3
94.07374	1.3
95.04971	10.5
95.08595	11.7
97.06530	22.5
97.09626	1.2
97.10167	17.8
98.98457	6.4
99.08073	3.7
105.07035	7.8
107.04874	3.4
107.08591	53.6
109.06498	2.8
109.10123	8.2
111.08052	3.7
111.11644	1.4
113.05963	1.5
117.07029	10.9
118.28567	1.1
119.08580	10.2
121.06487	2.1
121.10126	12.9
121.70040	1.2
125.05972	1.3
125.09581	5.6
128.06168	1.5
133.10075	5.4
135.08009	1.9
135.11688	100.0
136.11949	2.0
137.09534	2.9
143.08531	2.3
145.10129	16.3
153.12740	2.0
155.08516	1.5
157.10077	1.9
163.11183	18.7
181.12204	17.9
195.11708	2.1
213.89716	1.3
237.16431	1.9
238.85510	1.2
255.15807	89.2
261.19553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49610	3.2
53.03934	4.9
55.01869	20.3
55.05510	32.0
56.05036	4.2
56.96564	47.0
57.03441	38.0
57.07090	5.4
58.76133	3.1
59.04995	7.5
61.02932	54.8
66.30509	3.4
69.03434	29.4
69.07101	3.8
70.06582	8.9
70.98107	8.7
71.01354	9.5
71.04980	13.4
71.52670	7.3
73.02924	37.2
77.00887	4.8
81.03430	17.7
83.01315	4.6
83.06108	7.8
84.04505	5.6
84.08132	5.6
85.02915	68.9
85.06526	3.7
86.03265	4.0
86.09713	14.7
87.04465	14.7
88.99158	6.1
89.02397	7.0
91.00491	4.9
91.03954	7.8
91.05450	4.4
95.01375	5.4
95.04966	4.1
95.06113	7.1
97.02886	49.4
98.97588	10.9
99.04463	6.0
100.02479	8.2
101.00898	10.4
101.02392	28.8
102.02385	3.7
103.02408	4.7
105.06995	4.2
107.00278	4.3
108.02403	3.8
108.21288	3.4
108.83234	3.8
109.02890	11.6
110.07169	28.9
111.00243	11.1
112.01025	5.4
115.02428	8.7
115.03928	33.5
116.98593	7.5
117.01868	41.9
117.04012	10.7
118.01048	6.4
118.03554	8.8
119.01924	45.8
119.02697	8.0
120.00780	4.4
120.01999	7.5
121.01567	4.7
122.06001	4.2
123.00215	4.1
123.04745	4.6
123.05566	14.7
124.02091	5.3
124.05904	10.7
125.02683	6.8
126.00757	6.9
127.01547	28.5
127.03954	23.8
128.98564	6.7
129.01843	34.4
131.01877	17.5
133.01534	12.6
133.03497	14.9
133.04962	5.5
134.05978	3.9
134.99715	7.4
135.01234	4.5
135.05037	14.4
136.02063	7.8
136.07640	4.0
137.02890	10.9
137.05951	5.3
138.03067	3.7
138.05290	10.9
139.02425	7.6
142.02034	5.5
143.01917	18.3
143.03415	15.4
144.04991	3.7
144.52374	4.1
145.03426	23.5
145.04951	16.4
146.04994	12.4
146.55101	6.0
146.99680	6.7
147.02954	5.6
147.05804	38.8
147.81403	3.3
149.02914	8.3
149.06616	6.1
151.02470	3.7
151.06256	4.8
152.00453	3.8
152.05067	5.0
152.07063	7.3
153.05789	29.5
153.55901	4.9
154.00223	24.3
155.01982	5.2
156.01816	8.4
156.06320	5.9
157.01389	28.0
159.02832	6.2
160.02899	4.6
160.04675	3.8
161.01088	5.4
161.02991	39.4
161.04485	23.9
161.06589	43.4
162.06343	31.7
162.56276	3.9
163.04562	9.2
163.06145	5.1
165.00723	10.8
166.00294	11.1
166.04819	5.9
167.00977	5.5
168.05058	3.7
169.03484	15.6
170.02727	14.9
171.01457	5.7
171.02910	11.5
172.97604	15.0
173.02971	12.9
173.57117	7.1
175.00826	17.3
175.05333	19.9
175.55487	5.9
176.01530	9.6
179.07684	23.5
180.07785	4.7
181.03487	5.6
184.01280	16.1
184.04478	7.4
184.05913	9.5
184.09679	4.2
185.03003	8.3
185.06601	9.9
186.04347	3.8
186.51511	4.3
187.00798	13.4
187.04636	12.6
187.10014	5.0
189.02461	10.5
189.03947	100.0
190.98679	46.7
191.04080	8.8
193.00313	4.8
196.01303	48.2
196.04126	7.1
196.05811	24.1
196.56017	4.8
197.02086	8.3
197.03893	4.4
202.04025	7.3
203.03917	4.5
203.05540	24.4
203.07661	11.5
205.00095	6.9
205.01839	38.4
206.02596	7.5
207.05054	6.2
207.52129	9.4
208.99692	17.2
210.16013	10.0
215.04105	3.9
215.07661	5.1
215.09441	5.0
215.48022	4.3
216.52579	5.7
217.01967	5.6
218.02574	6.1
218.98146	8.6
219.03517	5.5
221.06721	7.0
224.07613	9.6
226.02286	7.4
226.06790	8.4
228.13429	4.0
229.05515	4.3
232.99600	6.0
233.05051	4.8
233.10507	22.5
236.99130	6.5
238.12041	4.1
239.10567	12.5
245.05109	7.1
247.07228	9.5
251.00407	5.8
251.02548	13.9
256.03067	12.4
256.07831	7.6
256.10101	9.9
256.13098	16.8
256.16672	21.2
256.26385	27.4
257.05173	7.7
257.11292	4.7
274.04257	8.7
274.11438	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03937	2.7
53.08936	2.5
55.01872	3.1
55.05512	26.5
56.50594	2.5
56.96560	6.0
57.03439	44.8
57.07073	8.8
58.37398	2.5
64.85566	2.4
67.05505	70.3
67.53748	2.2
69.07068	28.9
70.52354	7.0
71.01358	6.5
71.04984	9.6
71.08648	4.8
79.05492	60.6
81.03416	10.1
81.07059	40.8
83.04985	17.0
83.08605	9.2
85.02893	3.1
85.06532	6.7
85.10148	2.0
91.05473	24.0
93.07047	63.7
95.04972	9.2
95.08599	19.0
97.06533	25.0
97.10166	18.3
98.97608	5.5
98.98472	27.2
99.04462	3.2
99.08089	5.7
105.07048	10.0
105.75726	2.2
107.04945	4.8
107.08598	50.8
109.06546	4.9
109.10165	18.4
110.68170	2.2
111.08081	5.4
116.98666	4.3
117.07023	5.2
119.08565	14.3
121.06470	4.0
121.10146	17.1
123.11710	5.1
125.09628	5.4
131.08591	3.9
132.95815	2.6
133.10135	10.5
135.08066	4.3
135.11688	100.0
137.09615	2.9
139.07565	3.8
139.11186	2.5
145.10114	17.4
147.11746	2.8
153.12761	3.5
159.11804	4.5
163.11177	15.9
167.08752	3.1
177.00792	3.1
177.62175	2.3
181.10629	2.8
181.12224	24.1
199.13263	2.9
206.76233	2.4
214.08572	3.7
237.22208	6.1
255.06413	4.0
255.15823	64.1
255.21129	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03957	2.5
55.01878	3.5
55.05510	20.5
56.96581	1.2
57.03438	44.3
57.07080	3.4
61.84033	0.6
65.03960	2.1
67.05505	72.5
69.03448	1.9
69.07069	21.5
70.07549	0.7
70.55706	2.6
71.01356	5.1
71.04998	7.7
79.05492	64.7
81.03421	10.1
81.07056	34.2
83.04980	23.2
83.08615	6.9
85.06550	5.5
85.62132	0.8
91.05479	25.0
91.96674	0.7
93.07043	74.8
95.04977	8.7
95.08611	11.5
97.06533	22.9
97.10164	14.5
98.98471	5.5
99.04480	1.2
99.08077	4.0
105.07033	5.7
107.04962	3.5
107.08592	47.2
109.06506	2.2
109.10148	7.9
111.08099	3.3
113.06024	0.9
115.05495	0.6
117.07011	9.6
119.08585	9.9
121.06497	2.7
121.10146	11.6
125.05975	1.4
125.09633	5.0
129.07034	1.5
130.07751	1.2
131.08583	1.8
133.10139	5.7
135.08081	2.4
135.11691	100.0
136.12012	1.5
137.09619	3.7
139.07547	0.8
143.08568	2.3
145.10126	19.2
151.11176	0.8
153.12750	2.1
157.10078	1.6
159.11671	0.9
163.11180	14.9
169.10117	0.9
171.11652	1.4
173.09631	1.1
181.12244	15.7
183.11597	0.8
199.13292	1.9
237.16405	1.1
244.70004	0.7
255.15834	91.2
256.16125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03926	3.0
55.01867	3.5
55.05512	26.8
56.96563	3.4
57.03436	48.9
57.07067	6.8
65.03937	2.2
67.05504	76.5
67.14137	1.4
69.03403	2.2
69.06733	2.5
69.07069	31.5
70.98801	4.1
71.01346	7.9
71.02189	1.3
71.04993	8.2
71.08601	2.2
79.05494	70.1
81.03419	9.1
81.07057	37.5
83.04982	26.2
83.08625	9.3
85.06505	6.5
88.07626	1.9
91.04968	2.5
91.05479	29.7
93.07045	83.6
94.35508	1.3
95.04945	7.6
95.08614	11.4
97.06010	1.8
97.06533	21.3
97.10178	16.1
98.98458	12.8
99.04424	1.9
99.08071	3.4
105.06992	6.2
107.04922	3.1
107.08596	53.2
109.06507	1.8
109.10162	9.2
111.08033	3.6
117.07022	11.5
119.08582	10.7
121.06459	3.9
121.10120	10.4
125.09605	3.7
129.06943	2.3
131.08466	2.2
133.10081	6.5
133.10974	1.4
135.07985	3.5
135.11693	100.0
137.09621	2.5
143.08543	2.8
145.09056	1.7
145.10124	22.0
153.12741	3.9
157.10027	1.9
163.11172	14.2
181.12234	19.8
195.08234	1.3
197.13248	1.8
208.99519	1.7
237.22121	1.6
243.52594	1.4
250.65610	1.4
255.15822	88.7
255.23199	2.8
256.26300	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	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.0
57.03428	8.8
57.07072	4.8
59.51308	2.6
61.02919	5.9
66.07057	2.4
69.03445	4.0
69.07064	8.0
69.39481	16.7
69.39897	7.1
70.45940	2.4
71.01355	4.1
71.45935	2.6
73.02930	7.0
81.07063	3.4
83.08608	5.7
84.08131	3.5
85.02901	7.7
93.07043	3.4
95.08617	3.2
97.02879	4.8
97.10154	3.9
98.21561	4.9
98.98463	23.4
106.02888	4.5
107.08627	3.2
110.07169	3.6
121.10115	4.2
123.05553	100.0
123.11715	2.7
124.03947	3.2
133.04947	4.6
133.36584	3.0
135.11659	3.2
149.13239	4.4
161.04422	3.4
168.06602	2.6
175.91982	2.4
189.03996	5.6
229.38072	2.9
255.06250	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03946	3.4
55.05516	30.4
56.09934	3.9
57.03178	5.4
57.03437	47.7
57.07077	17.7
67.05506	74.9
69.07074	30.8
69.45842	26.9
71.01344	6.8
71.04991	11.6
71.08636	6.0
79.05494	67.9
80.33527	3.7
81.03410	11.6
81.07061	41.1
83.04987	22.4
83.08624	12.3
85.02921	3.7
85.06560	7.3
91.05487	25.6
93.07050	79.6
95.04983	9.6
95.08601	25.7
97.06528	28.0
97.10178	17.4
98.98476	38.7
99.08108	4.1
100.07626	3.9
105.07055	9.5
107.04971	4.8
107.08592	61.2
109.06530	5.9
109.10152	11.8
111.08128	5.0
117.07056	7.3
119.08584	13.1
121.10166	13.4
125.09605	5.3
129.06960	3.0
131.08647	4.4
133.10135	7.8
135.11705	100.0
137.09642	5.2
145.10109	23.8
147.11667	5.0
153.12703	4.1
163.11168	17.6
173.13162	3.7
181.08644	6.6
181.12273	23.4
199.09622	15.9
255.06509	5.7
255.15805	88.0
255.25125	10.8
255.69574	4.2
256.26410	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	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.3
57.03436	3.9
57.07048	2.9
57.72047	2.5
61.02931	5.0
69.03450	3.4
69.07065	6.0
69.36014	15.3
69.36440	9.3
73.02902	4.9
79.05482	2.8
81.07082	3.2
83.08642	4.2
85.02921	5.8
95.08601	3.3
98.98485	16.9
106.02936	4.1
115.03978	2.7
123.05556	100.0
139.05745	2.7
139.76556	2.4
161.02859	2.4
166.05171	2.8
181.89043	2.7
185.02859	2.9
192.56038	2.8
246.79753	3.2
255.06285	33.1
256.75620	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03427	2.7
63.96865	0.9
69.03426	1.3
69.93205	4.3
70.27369	0.8
71.01353	0.9
73.02901	3.1
74.16822	0.7
78.03464	0.7
80.05019	2.1
85.02911	2.5
85.31802	0.8
94.93005	0.9
96.04488	1.0
96.92783	3.8
97.02919	1.0
104.79029	0.7
106.02911	5.2
108.45853	0.7
115.03928	1.6
123.05550	100.0
133.04951	2.6
157.96994	0.9
174.04524	1.1
182.10326	0.8
183.04962	0.9
240.16768	0.9
254.94810	0.9
255.06271	6.3
255.10030	1.5
277.95435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55706	1.3
55.01865	2.1
56.96555	5.1
57.07067	2.0
61.02919	7.5
69.03427	2.6
70.28046	4.7
70.28441	2.4
71.01341	5.6
73.88083	1.4
75.03831	1.7
75.04482	14.1
85.02921	3.1
87.04452	5.5
89.02384	2.2
97.02882	2.2
97.07714	1.4
98.97550	1.8
98.98473	15.0
103.03934	15.8
110.06010	2.0
116.98589	2.5
131.03381	5.1
131.88002	1.7
144.07936	2.0
147.06375	1.7
159.02893	44.2
162.05440	4.7
163.03876	1.7
163.05798	3.4
187.02390	3.6
188.92450	3.9
219.05009	100.0
254.08354	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	253.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.76280	0.8
56.96585	1.5
57.07074	31.8
67.05507	3.5
67.91843	0.9
69.03438	3.4
69.07069	2.7
69.96414	1.8
69.96833	4.3
71.04995	2.7
75.44202	0.9
81.03428	3.8
81.07060	3.9
83.08662	1.2
85.02897	1.3
91.05484	1.9
93.07076	1.0
95.04978	7.2
95.08620	5.0
97.02884	23.3
98.98463	56.3
99.04451	6.9
99.08070	1.2
107.08588	3.1
109.10163	3.6
111.86589	0.9
113.05985	1.6
115.31882	0.9
116.99503	1.4
123.04420	11.9
131.08549	1.1
133.10149	1.5
137.09625	2.2
140.01073	2.2
141.05463	40.9
151.11195	8.4
161.09654	1.0
174.99194	2.3
176.98927	1.5
179.10687	17.6
197.11736	100.0
235.09654	1.0
253.14191	1.8
253.15376	1.6
253.17885	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.9
68.22049	1.7
70.07531	7.3
71.01345	5.6
72.26213	1.5
73.73717	1.3
73.77948	1.6
75.04495	13.3
84.08113	1.6
84.54580	1.5
85.02914	1.8
87.04456	3.8
87.40618	1.6
89.02403	2.9
97.02891	1.5
98.97561	1.8
98.98471	6.0
103.03944	14.9
108.64194	1.4
124.08600	1.6
131.03406	4.6
159.02888	38.7
187.02333	3.7
213.84727	1.6
219.05011	100.0
248.42711	1.6
254.04854	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05499	3.8
56.05037	2.4
56.96561	4.1
57.03420	4.6
61.02896	6.1
68.99793	1.9
69.03430	2.4
70.06597	22.7
71.00965	2.2
71.01355	45.5
71.04991	1.7
71.58134	2.1
73.02901	3.9
73.06537	4.0
74.06054	2.1
75.04488	9.8
79.05471	5.2
81.03387	2.5
81.07042	12.4
82.05322	2.9
83.05019	1.8
83.06105	13.6
84.04477	4.1
84.08112	2.7
85.02877	7.6
91.05432	2.1
93.04507	6.2
93.07060	2.0
95.06080	19.2
97.02864	3.8
98.06022	2.1
98.97534	2.1
98.98471	11.2
99.00784	2.7
101.02333	3.9
103.03932	17.0
108.04407	1.8
110.07163	71.4
111.00796	1.7
111.05538	3.7
112.08714	4.1
113.02377	3.2
116.03391	3.6
117.01853	6.4
119.01894	2.0
119.03411	4.2
120.08073	2.8
121.06524	2.2
125.07090	2.1
127.00291	2.4
129.01872	4.0
130.06532	10.2
131.03397	41.5
132.04459	2.9
133.04926	7.1
137.05986	4.0
141.01794	5.7
145.01297	3.4
145.04979	10.1
156.07715	4.3
157.04958	21.3
157.07594	7.0
157.09113	4.3
158.06018	3.2
159.02896	96.9
163.06020	2.9
163.12296	30.3
167.11826	3.3
173.04395	5.2
175.08688	3.6
176.05542	4.0
177.03969	2.1
180.09514	4.0
184.27750	1.8
185.07071	6.6
188.92406	4.8
190.13350	14.8
191.05479	17.2
192.10165	5.5
193.13419	2.6
195.11307	13.0
201.03911	3.5
208.12585	3.6
208.14455	46.9
209.12888	3.0
210.15985	2.5
219.05011	84.4
235.60815	2.1
237.06047	15.9
243.05492	2.2
244.61584	10.0
254.14966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
50.17136	1.6
55.01860	6.9
55.05499	5.5
57.03435	2.8
57.07072	3.7
67.05508	28.8
69.03424	4.2
69.07085	8.5
71.04961	2.2
71.57530	2.6
72.21438	1.7
79.05507	11.2
79.73243	1.8
81.03410	4.2
81.07063	26.3
83.04968	4.9
83.08627	2.9
85.06548	3.5
90.04465	1.6
91.05491	19.8
93.07037	7.7
95.04960	2.8
95.08624	10.8
97.06513	3.1
97.10185	2.5
98.98471	58.5
102.67697	1.8
105.07027	16.8
107.08601	14.7
109.06522	3.7
109.10167	30.4
116.99483	2.5
123.11691	5.8
127.07599	2.0
128.06207	1.7
132.82747	1.8
133.10139	32.0
140.01080	4.0
141.05443	2.7
151.11212	20.8
161.13239	2.0
169.12215	2.8
174.99179	2.2
196.81075	1.9
197.09818	1.8
197.11728	4.8
253.14365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0819
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
52.20264	1.0
52.84405	1.0
55.05502	2.5
56.12732	1.0
56.96554	2.5
57.07069	4.1
60.05662	1.2
61.07749	1.0
65.03927	1.2
67.05489	4.4
69.03423	2.4
69.07064	3.9
70.01955	1.0
71.03468	2.5
74.02435	7.4
79.05492	1.4
81.03449	1.5
81.07063	5.7
84.04508	1.4
84.08141	1.2
85.02905	2.2
91.05452	2.8
93.07066	1.6
95.04985	1.8
95.08606	4.9
97.02888	1.9
98.98466	100.0
99.04415	1.6
105.07061	1.4
106.06538	2.5
107.08598	1.1
109.10156	3.0
110.06020	3.6
111.04401	1.3
113.06044	1.5
116.98645	1.5
116.99496	3.5
118.06554	2.0
120.04460	3.2
120.08160	1.3
123.04411	1.6
123.11719	1.2
126.05588	1.4
129.07063	1.2
133.07576	1.3
134.06020	22.4
136.03963	1.6
137.05937	1.2
140.01089	1.2
141.05437	3.4
146.06009	35.3
148.03877	1.6
149.02766	1.4
149.04776	1.5
152.07133	1.4
158.06021	1.5
161.07111	3.9
162.04112	2.2
162.05501	45.9
164.03398	7.5
172.04004	1.3
173.04741	1.1
173.07095	3.3
174.99234	2.7
176.98949	3.3
179.10641	1.7
180.06569	1.9
188.92558	1.3
189.06587	4.3
190.05002	7.0
197.11732	6.4
203.05833	2.2
207.07651	13.6
208.06104	3.0
217.35590	1.1
219.07605	3.5
220.08409	5.7
235.07082	4.0
236.05745	1.4
236.07954	3.3
253.08363	10.1
253.14188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15673	0.6
55.01867	0.8
55.05529	0.7
56.96574	1.2
57.03418	0.8
60.47599	0.7
62.99546	0.5
67.05498	0.7
69.03447	0.6
69.07062	3.8
70.07391	1.4
71.04976	0.6
71.57578	1.2
79.05503	2.6
80.05840	1.0
81.07049	1.5
84.10229	0.6
87.00835	2.7
88.43850	0.6
91.05480	4.1
92.05821	2.1
93.07041	2.1
97.06530	10.7
97.85598	0.7
98.06863	8.8
98.97551	1.0
98.98455	6.5
99.07040	2.4
99.08061	1.1
103.05463	6.4
105.07025	0.9
118.06544	9.2
119.04922	1.6
120.05274	2.2
120.08106	100.0
121.08419	0.7
128.05031	0.8
136.06189	14.4
137.05972	9.0
138.06316	11.5
139.06458	3.8
146.06003	19.0
146.07077	1.2
148.07553	0.7
156.03604	0.6
166.08646	2.9
180.07295	0.9
188.07068	19.9
190.09476	1.1
191.09682	1.1
192.06581	1.5
206.08127	85.7
207.08484	0.7
214.91205	0.6
216.10970	0.6
222.59758	0.7
231.08865	0.8
234.07608	2.2
234.11729	1.3
234.13530	2.4
235.12248	17.0
251.50473	0.7
252.09087	1.4
252.15013	10.8
270.23178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59792	0.3
55.01879	0.4
55.05514	0.9
56.96564	0.8
57.03445	0.7
69.03436	0.4
69.07065	1.2
70.06570	0.3
71.58749	0.5
72.08161	0.8
74.82670	0.3
79.05498	1.8
79.23206	0.3
80.00903	0.3
81.03429	0.4
81.07062	4.0
83.04987	0.4
84.04508	0.4
84.08156	2.2
85.02909	0.4
86.09718	1.2
87.00797	0.3
88.03990	0.4
91.05488	2.3
92.05832	0.8
93.07073	0.8
94.04060	1.2
95.04950	0.5
97.02905	0.4
97.06548	2.2
98.06878	1.4
98.98464	13.2
103.05449	1.6
104.03455	0.6
104.67165	0.3
105.07001	0.4
107.04956	0.9
109.02895	0.8
111.04449	0.4
116.99503	0.4
118.06548	0.7
119.03564	1.4
119.04921	0.6
120.08105	10.7
121.06513	4.5
129.10214	2.5
132.10074	0.4
134.04463	0.4
136.06187	100.0
137.04616	1.7
137.05974	2.8
138.06320	2.4
146.06029	1.3
147.04498	0.7
149.05939	0.4
163.97713	0.5
176.98994	0.4
177.00714	0.4
188.07004	0.7
189.09166	0.5
190.09436	1.1
191.09724	0.6
192.06610	1.1
192.13799	0.7
203.16719	0.3
205.98810	0.9
206.08127	4.0
206.12379	0.4
216.11066	0.5
229.00386	0.6
234.07660	0.6
234.13535	16.1
235.09779	0.7
235.12329	2.7
252.08990	1.3
252.14566	65.8
253.14941	0.4
262.48770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03945	0.7
55.01860	1.3
55.05507	6.2
56.96561	1.6
57.07069	0.9
59.04987	1.0
64.29705	0.7
67.05501	5.1
69.03417	1.6
69.07066	12.8
70.07400	0.6
71.04972	2.0
71.11085	1.3
71.11413	0.9
73.33353	0.5
79.05493	6.5
80.05779	1.0
81.07055	8.4
83.04974	9.9
83.08592	1.2
85.06519	1.2
91.05470	7.8
92.05807	1.5
93.06470	1.4
93.07039	23.4
95.04955	3.6
95.08604	6.7
97.02876	0.7
97.06537	8.7
97.10129	0.9
98.06849	2.5
98.98463	52.6
99.04465	1.3
103.05440	0.7
105.07038	8.2
107.04948	1.2
107.08586	6.5
109.02865	0.8
109.06508	5.6
109.10133	2.2
111.04443	9.5
111.08056	1.2
111.11701	2.6
116.99484	2.5
117.07005	1.9
119.04950	0.8
119.08589	2.9
119.82452	0.7
120.05193	0.8
121.06498	2.5
121.10138	35.6
123.08052	2.3
123.11732	0.7
125.09608	1.7
129.07005	0.8
131.08580	3.5
133.10114	2.2
135.08026	2.4
135.11678	1.1
136.20169	0.7
137.05977	9.9
137.09589	1.0
138.06317	7.9
139.11159	2.0
145.06448	1.1
145.10133	4.6
147.08099	1.1
147.11655	2.8
149.05948	1.0
149.09608	15.5
151.07500	0.7
159.08115	0.7
159.11688	2.0
163.11177	1.6
167.10670	100.0
173.09612	1.8
173.13298	1.4
174.99211	2.2
175.11208	0.9
187.11205	1.9
187.14780	2.1
189.12708	0.9
191.10654	2.5
191.14326	1.0
193.12183	1.0
205.12184	2.1
205.15875	1.4
215.10754	1.6
233.11737	2.5
233.15337	3.6
234.12048	11.0
251.12540	1.1
251.16498	16.5
251.20036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.00289	1.1
53.03943	1.4
55.01868	1.7
55.05516	6.2
55.14184	1.1
56.96568	8.2
57.03427	2.5
57.07080	7.2
59.04996	6.8
67.05511	8.3
69.03421	8.7
69.07064	7.2
69.33633	0.9
71.01330	2.2
71.04993	29.5
71.08633	6.2
73.02881	1.8
79.05482	8.0
81.03394	3.0
81.07052	13.0
83.04980	8.7
83.08633	5.2
85.02927	2.6
85.06548	7.1
91.05465	10.2
93.07051	11.9
95.04967	11.8
95.08596	14.4
97.02874	1.5
97.06523	11.3
98.97588	7.5
98.98466	100.0
99.04445	2.4
99.08071	5.3
103.05496	1.6
105.07033	14.6
107.04956	2.8
107.08598	14.9
109.06502	4.3
109.10148	10.0
110.97581	0.9
111.08069	6.0
113.05990	6.3
113.09679	1.0
116.98617	6.6
116.99509	3.9
117.06995	4.9
119.08584	22.9
121.06493	4.4
121.10137	20.3
123.04318	1.5
123.08073	6.9
123.11707	4.5
125.02335	2.0
125.06001	12.4
125.09595	1.7
127.07481	1.4
129.07005	1.8
130.07784	1.2
131.00159	1.0
131.08553	7.5
133.06464	1.3
133.10117	9.5
134.99631	3.2
135.08038	4.4
135.11673	4.5
137.05968	3.2
137.09616	29.6
139.07494	1.6
140.01091	2.1
143.08528	1.3
145.10114	15.0
146.99620	1.5
147.08049	41.6
147.11694	9.9
149.01236	1.8
149.09607	9.3
151.07544	2.2
151.11192	2.3
151.14799	2.5
153.09093	3.1
155.10663	2.5
155.14314	2.3
157.10095	3.6
158.99657	2.2
159.11620	1.7
160.07466	1.2
161.01125	1.1
161.13298	1.7
163.07629	1.1
163.09850	2.1
163.11179	30.7
163.14819	2.4
165.09138	1.5
165.12721	1.3
171.11707	1.7
173.09584	3.1
173.13254	6.1
174.99228	5.2
175.11197	9.7
177.00696	5.6
179.14311	13.9
181.12225	7.3
187.07898	1.8
187.14691	5.1
189.12738	2.5
191.02339	2.1
191.10646	1.6
191.14310	7.4
193.12268	4.0
195.10086	2.6
196.08557	4.6
197.13239	1.3
203.09666	2.8
205.09105	7.4
205.15858	2.5
205.59288	1.4
207.13850	3.5
215.14302	9.0
217.09097	6.1
219.01701	1.7
221.10565	2.6
228.59966	1.9
230.08041	8.9
230.58307	3.0
233.11855	1.9
233.15367	42.3
234.12109	2.5
235.83815	1.1
239.08574	17.7
239.58630	4.0
240.08755	1.2
250.59413	9.1
251.09239	1.5
251.12361	2.5
251.16406	53.5
251.20192	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19296	0.5
55.01863	1.9
67.05491	1.6
69.07068	25.0
69.68864	3.2
75.38447	0.6
79.05501	4.5
83.04984	0.9
90.49187	0.5
91.05479	21.7
95.54720	0.7
97.06533	24.1
98.98457	2.0
109.06481	1.1
119.04939	15.1
122.63145	0.6
135.04437	0.9
136.05180	1.6
137.05977	100.0
138.06293	1.1
142.33250	0.6
149.05960	1.2
163.03934	2.5
215.10695	1.2
233.11720	78.8
234.11946	0.7
246.15218	0.5
250.14485	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05506	2.7
56.96562	3.1
57.03442	1.3
57.07057	1.3
67.05507	7.5
69.07060	3.4
71.04979	1.1
71.58671	1.2
79.05498	9.6
81.03413	2.4
81.07053	9.6
83.04967	1.6
83.08620	1.1
85.06556	1.0
85.34906	0.8
91.05489	11.2
93.07050	8.5
95.04962	5.4
95.08604	7.0
96.06384	0.8
97.06540	1.8
98.98470	100.0
103.05459	1.1
105.07035	9.4
107.04960	2.5
107.08588	4.1
109.06519	2.8
109.10160	2.5
116.99494	5.2
117.07037	3.9
119.08582	8.5
121.06516	1.9
121.10139	3.3
123.08022	1.4
123.11678	1.5
123.36191	0.9
129.07010	1.7
131.08577	7.1
133.10138	3.0
135.08066	1.2
140.01053	2.3
145.10130	2.8
149.09613	1.4
153.12735	1.3
159.11732	1.0
171.11650	1.5
173.13214	2.3
174.99155	5.1
187.14798	1.7
197.13261	1.7
205.16006	1.5
205.98714	1.7
215.14394	1.8
233.15434	9.5
251.16255	5.0
251.20151	1.8
269.10858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23464	6.2
69.62815	56.6
81.09785	7.1
81.25546	6.9
84.20253	6.7
94.93015	100.0
98.21452	12.8
99.12931	7.5
206.88589	35.2
248.89684	26.5
249.03766	89.6
249.13016	7.2
249.98723	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	249.185
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
52.57989	0.4
53.03923	1.1
55.05499	1.4
57.07079	27.2
57.61576	0.3
59.04995	0.9
65.91757	0.3
67.05508	5.4
69.07069	2.0
75.69493	0.3
79.05499	6.1
81.07057	3.6
83.04984	0.7
83.08591	0.4
85.06537	0.5
85.42782	0.4
90.34862	0.3
91.04905	0.4
91.05481	8.8
93.07046	15.5
95.04987	2.2
95.08600	3.0
97.06510	1.3
97.10178	0.4
98.21523	1.0
105.07048	2.9
107.08599	5.7
109.10139	0.7
111.08250	0.3
117.07006	2.2
119.08557	3.3
121.06471	0.7
121.10152	8.0
123.08053	0.4
129.06989	0.6
131.08589	2.8
133.10136	3.0
135.08058	0.7
135.11702	1.8
137.05977	12.4
143.08574	1.1
145.10103	1.2
147.11650	0.9
150.06761	0.6
157.10141	1.3
159.08038	0.5
159.11641	0.5
161.09586	1.9
171.11671	0.7
173.13290	0.4
175.11191	1.6
175.14828	1.6
177.09120	0.5
185.13231	0.6
189.12793	0.7
189.16409	1.3
193.12260	44.5
194.12631	0.7
199.14806	2.2
203.14464	0.6
217.15808	2.0
229.35411	0.5
231.13867	1.9
249.18510	100.0
250.18903	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	250.1438
Annotation	Peyophorine
Peak:m/z	Relative Intensity
54.49673	0.4
55.01858	0.7
56.36253	0.5
57.03416	0.9
61.02921	0.9
64.41516	0.4
67.05492	0.6
69.03425	2.6
70.06565	0.7
71.58016	0.6
71.58374	0.6
72.04511	0.8
72.08124	0.7
72.51102	0.4
73.02891	1.0
74.06043	0.6
81.03419	0.9
82.06561	1.0
84.08141	21.8
85.02908	2.9
86.06030	0.5
90.64783	0.4
91.05483	0.7
97.02879	2.9
98.97865	0.8
98.98463	10.5
100.02454	1.3
109.02869	0.6
110.06036	2.5
117.07008	0.6
118.03504	0.9
119.01926	1.2
123.04428	3.1
127.03947	1.0
128.07092	0.6
131.08594	0.9
133.03444	0.8
135.04355	0.6
136.06197	0.7
137.05954	1.1
143.01855	0.6
143.08549	1.2
145.03383	0.9
145.04861	0.5
157.03439	1.1
159.08002	1.3
160.04881	1.4
160.11215	0.5
161.02960	0.5
161.05952	2.1
162.05472	0.7
164.07091	3.7
168.01541	0.5
169.05252	1.9
169.55330	0.7
170.06065	1.7
171.08025	1.6
172.99323	0.9
175.04498	1.2
176.07080	1.6
176.93475	0.8
177.07841	21.1
178.08539	0.8
179.10646	0.6
187.04518	0.6
188.10677	1.4
189.09113	2.0
191.00342	0.7
196.00896	2.7
204.10136	0.8
206.11765	100.0
207.12050	1.2
214.01987	1.1
214.07024	1.0
215.10796	0.6
217.05487	0.7
228.03490	1.7
232.08113	1.2
232.13780	0.6
233.11803	1.0
250.09030	3.0
250.14398	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	248.1282
Annotation	Securitinine
Peak:m/z	Relative Intensity
51.33482	0.5
51.69431	0.5
55.01862	1.9
57.03415	0.6
67.05505	0.7
69.03411	0.8
69.07062	2.6
70.98845	0.5
70.99186	1.3
79.05495	2.0
80.05013	2.8
81.03404	0.6
85.02882	0.8
91.05453	1.4
94.06559	5.1
95.07350	9.9
97.06530	10.9
106.06554	2.4
107.04964	2.1
108.04459	2.3
120.08102	1.3
122.06017	21.4
123.04453	0.9
123.06814	17.2
131.04929	1.6
131.08563	1.1
132.04454	1.7
133.05214	0.9
134.06004	4.9
135.04424	1.8
135.06763	0.8
147.06738	0.9
148.07555	5.8
148.11270	0.7
150.05502	23.5
151.06279	85.8
152.07072	3.7
159.08063	1.9
161.05933	0.6
162.05501	13.9
175.06273	1.7
175.07603	0.7
176.10745	3.4
177.09073	1.3
187.07561	1.7
204.10201	26.1
213.09137	0.8
220.13298	1.4
230.11778	1.1
231.10162	1.3
248.12816	100.0
249.13104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
55.05513	5.7
56.96533	3.1
57.07072	3.4
60.36193	2.0
67.05515	12.4
69.03425	1.9
69.07056	5.9
69.32697	4.4
69.33098	15.1
71.08624	2.8
79.05492	11.5
81.07059	25.6
85.06522	7.0
86.75196	1.9
88.94691	1.6
91.05473	8.0
93.07044	17.5
95.04942	3.2
95.08609	23.4
98.21468	2.7
98.98474	2.4
99.08102	2.6
105.07027	14.2
107.08589	23.6
109.02891	2.0
109.10155	14.8
111.08044	3.1
117.06995	4.2
119.08599	14.2
121.02867	2.1
121.06490	2.5
121.10139	19.6
122.82983	1.9
123.08047	2.1
123.11683	7.1
129.06917	2.1
131.08566	11.4
131.91885	1.8
133.10150	13.0
135.11723	11.5
145.10115	13.1
147.04404	2.4
147.11697	17.4
149.13266	12.9
159.11708	20.0
161.13249	5.6
163.14828	6.0
164.52402	1.7
173.13278	21.2
175.03925	20.1
175.14844	2.4
187.11104	2.2
187.14812	7.7
189.16359	5.7
191.14337	1.8
201.16391	7.3
203.17940	21.2
219.21092	5.1
229.08656	4.7
229.19525	64.5
247.09702	4.1
247.16789	3.8
247.20578	100.0
248.06963	2.3
248.20934	1.9
257.62344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
56.67616	0.3
61.81233	0.3
64.19759	0.2
64.24844	0.3
69.07100	0.3
70.83186	0.8
78.04700	0.5
79.05486	0.6
80.05010	2.0
88.81824	0.3
94.06562	4.7
95.04903	0.3
95.07346	11.2
97.06515	1.4
98.20795	0.3
105.05782	0.3
106.06559	0.7
108.04476	2.6
110.06103	0.4
122.06030	25.6
123.06812	22.3
134.06013	1.1
148.07518	0.4
150.03699	0.4
150.05507	23.9
151.06285	100.0
152.07065	1.5
162.05507	1.6
176.10756	0.5
204.10220	2.6
220.13297	1.2
230.11761	0.5
242.63539	0.3
248.12822	45.2
249.13210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
51.36234	1.0
53.03951	6.3
53.04153	1.1
55.01868	1.4
55.05503	3.0
65.03925	3.9
66.74117	1.0
67.05510	5.8
67.87424	1.0
69.03076	1.5
69.03427	21.5
69.07063	1.4
69.27267	1.6
69.27603	12.4
79.05496	7.6
81.03399	3.5
81.07051	8.3
83.04989	14.1
85.02897	3.5
85.06567	1.0
91.05486	14.4
93.03382	4.0
93.07044	12.0
95.04962	6.7
95.08629	2.1
97.02898	8.5
98.21622	1.9
99.04433	1.7
105.07030	13.6
107.04949	1.9
107.08604	14.3
109.02878	21.9
109.06519	14.4
109.10171	2.0
111.04456	5.7
115.05448	2.7
117.06354	0.9
117.07038	7.6
119.05009	1.0
119.08586	16.8
121.02886	2.7
121.06508	17.8
121.10149	7.3
123.04463	1.3
123.08028	1.9
125.05946	1.1
127.03941	5.7
128.06227	3.1
129.07005	5.8
130.07779	2.5
130.51125	1.1
131.08568	18.0
132.05687	1.5
133.06497	2.9
133.10130	11.5
135.08057	26.9
135.11676	1.5
137.05981	5.8
137.09618	3.9
139.03903	1.8
141.07022	1.8
142.07791	2.7
143.08553	8.4
144.09338	10.1
145.06477	10.5
145.10124	10.5
146.07228	1.2
147.08035	4.1
149.09619	22.1
150.10364	4.0
151.07610	1.2
151.11194	4.6
155.08560	4.5
157.10173	3.1
158.07239	2.6
158.10916	11.9
159.08076	10.1
159.11688	28.6
160.08832	2.6
161.09636	4.4
161.13300	1.1
162.55841	1.1
163.07547	20.5
163.11198	2.4
165.09096	1.5
168.09343	4.0
169.10153	3.1
170.10924	4.2
171.08075	8.7
172.08838	14.2
173.09645	22.0
173.13254	43.5
175.07487	1.6
175.11121	1.4
177.09113	1.3
181.06462	2.0
182.14459	1.0
183.11703	8.6
185.09586	1.9
185.13289	2.5
186.10410	20.3
187.11188	100.0
189.09157	2.5
191.07034	26.3
191.08591	1.5
195.08002	1.2
196.08807	5.1
199.07529	1.4
201.12743	68.3
203.14334	1.8
205.12315	8.0
211.11209	11.1
214.09908	3.6
219.08095	1.9
219.13753	5.3
229.12239	72.3
230.12714	1.5
247.07747	13.6
247.13304	62.9
247.17203	2.3
248.13098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24752	1.1
50.69456	1.0
53.03951	6.9
53.84423	1.1
55.01653	1.2
55.01874	11.3
56.96558	1.2
57.03429	1.9
61.02923	2.7
64.30840	1.1
65.61332	1.0
67.05497	2.0
69.03432	24.2
70.77597	3.1
71.05002	8.9
79.05499	1.9
81.03416	37.0
81.07030	2.6
83.04994	1.5
85.02924	7.4
91.05489	2.7
91.71976	1.1
93.07027	2.6
95.04955	2.2
95.08581	1.7
97.02893	28.1
97.06488	2.2
98.97576	2.5
99.03834	2.4
99.04456	38.0
103.03919	1.7
105.07004	3.7
107.08602	1.8
109.02882	79.1
115.03938	18.4
116.98604	2.8
117.07026	3.1
119.08549	2.8
120.08089	2.3
121.02877	1.3
121.06487	2.5
121.10194	1.3
123.04413	1.3
125.02419	1.3
127.03920	100.0
131.08542	3.2
133.10185	2.0
134.06009	1.3
135.08083	2.1
137.05931	2.2
143.08562	1.9
145.04942	1.6
145.10149	2.7
147.08040	1.4
147.11729	2.1
151.06271	1.2
155.08562	1.4
159.08090	2.0
159.11713	2.9
161.09576	1.3
169.04988	7.5
173.09682	1.6
173.13289	2.2
187.06047	13.4
187.11163	5.4
189.06978	2.7
190.07782	4.9
191.08565	15.7
201.12784	3.8
202.07733	1.9
209.24428	1.2
218.07408	4.4
219.08081	13.5
223.36046	1.3
226.06766	2.4
229.12263	4.9
247.07574	69.3
247.10225	2.6
247.13326	5.8
247.16895	2.5
248.12990	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03932	4.3
55.05516	2.4
56.78764	1.8
63.16111	1.7
65.03954	2.4
67.05489	3.1
67.47849	1.6
69.03427	17.7
69.07070	2.0
69.87032	4.2
69.87443	6.7
73.34129	1.7
79.05482	7.7
81.07046	8.1
83.04977	15.6
86.15072	1.9
91.05486	25.4
93.03403	5.2
93.07042	11.9
95.04951	6.2
97.02879	6.1
97.06543	1.6
105.07026	11.6
107.08596	14.0
109.02894	17.7
109.06512	14.0
109.10128	2.3
111.04433	5.8
115.05492	1.9
116.98593	3.0
117.07034	9.5
119.08578	13.6
121.02847	4.2
121.06530	17.5
121.10142	5.0
123.08013	3.5
128.06187	2.0
129.07010	6.2
131.08574	17.2
133.10133	9.9
135.08069	25.2
137.05978	5.9
137.09601	3.4
139.03889	2.6
141.06981	2.6
143.08582	12.1
144.09381	10.2
145.06480	8.5
145.10147	13.9
147.07947	2.7
149.09621	19.4
150.10414	3.7
151.06342	1.9
151.11186	4.4
155.08563	4.7
157.10152	3.7
158.10954	13.7
159.08058	8.6
159.11703	29.3
161.09671	3.9
162.42778	2.1
163.07535	19.5
168.09290	3.4
169.09921	1.9
170.10979	3.4
171.08043	7.3
172.08820	12.4
173.09654	23.4
173.13268	45.5
175.07466	2.1
179.10933	1.9
183.11713	10.1
185.13177	2.3
186.10403	23.2
187.11192	100.0
188.11520	2.5
189.16374	1.8
191.07033	25.9
196.08839	5.2
199.07535	2.2
201.12740	60.3
205.12265	9.3
211.11212	13.5
214.09900	3.9
219.13757	5.2
229.12248	59.3
230.12393	2.6
247.13300	59.5
248.12854	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	247.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29121	1.0
53.03947	6.9
55.01876	8.3
57.03429	1.9
58.80830	1.0
61.02925	2.3
67.05467	1.0
69.03431	15.6
70.84003	2.3
71.04991	9.2
73.02915	1.0
81.03418	40.9
82.06644	1.0
82.45203	1.0
85.02905	7.4
91.05445	1.1
97.02889	30.2
99.04456	34.9
101.89426	1.1
103.03932	1.2
108.57754	1.0
109.02879	86.2
115.03931	16.6
127.03916	100.0
128.46373	1.0
169.04967	6.4
175.44710	1.0
178.33214	1.2
187.06038	12.5
247.07951	1.2
247.16902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
53.03944	9.0
55.01881	10.5
57.03431	3.6
57.07085	1.7
61.02921	1.6
67.05506	5.4
69.03426	19.3
71.04989	7.7
71.58488	1.4
71.58878	1.6
79.05484	7.5
81.03413	46.4
81.07047	3.4
85.02905	9.6
91.05502	7.0
91.06019	1.3
93.07067	3.1
95.04958	3.2
95.08582	2.0
97.02888	29.3
97.06516	2.1
98.97598	1.9
99.04453	37.7
103.03938	3.2
105.07032	4.3
107.04930	1.4
109.02880	90.8
109.10162	1.4
109.36703	1.3
111.08062	1.7
115.03927	18.2
116.98620	1.9
117.06983	1.8
119.04959	2.1
119.08568	2.8
123.22865	1.2
127.03915	100.0
131.08577	2.9
133.06454	1.6
133.10141	1.6
134.06041	1.7
134.99654	1.3
135.04424	1.8
137.05991	5.7
143.08569	2.0
145.04929	1.8
145.10153	2.9
149.06073	1.2
150.05487	1.6
151.06290	3.0
154.07805	1.4
159.08023	3.1
159.11671	2.3
161.09647	2.9
162.05524	2.0
169.05005	6.9
173.05984	1.7
173.13193	1.6
187.06007	12.4
187.07497	2.4
187.11121	1.9
189.09111	3.5
204.10229	2.4
215.10715	5.0
229.12302	1.9
247.07756	3.4
247.13303	11.4
247.20670	1.3
248.12837	12.1
269.91650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51651	1.0
61.09014	0.8
62.63898	0.8
64.15151	0.9
69.85460	3.4
69.85873	2.2
72.08149	1.1
75.45434	0.9
80.18439	0.9
93.57305	0.9
117.26997	0.9
119.01930	2.5
167.03142	1.1
229.03203	22.9
247.04265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.2
69.07082	0.1
70.30814	0.1
70.77613	0.4
79.05482	0.2
81.03413	0.4
81.07057	0.2
85.02912	0.2
87.45468	0.1
91.05535	0.1
93.07038	0.3
97.02847	0.2
105.20274	0.1
109.02826	0.3
119.08561	0.3
121.02814	0.2
121.06439	0.2
127.03911	0.5
145.10040	0.2
153.06982	0.2
159.08154	0.1
159.11681	0.2
165.06987	1.1
167.08537	0.8
169.40669	0.1
173.09503	0.1
177.07004	1.4
181.06477	5.1
181.52690	0.2
182.02927	0.3
182.53230	0.2
183.11826	0.2
189.06992	3.3
190.07777	8.2
191.03590	0.2
191.08560	8.5
191.53798	0.4
192.08810	0.2
195.06279	0.3
195.08069	5.3
196.08463	0.2
200.06264	0.3
200.54285	0.2
201.07027	1.8
201.08864	0.2
202.07770	4.3
202.54350	0.2
203.04520	0.3
203.08395	0.2
205.06490	2.7
218.07271	14.8
219.08052	12.1
222.06851	0.3
223.07542	13.2
224.07924	0.4
229.06538	0.6
229.08047	0.9
229.12302	0.3
233.05882	0.3
234.06654	0.2
237.09109	14.8
238.09410	0.2
246.06734	0.3
247.07539	100.0
248.07867	1.8
249.69305	0.2
251.07159	0.9
260.10727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03921	0.3
55.05508	1.3
56.05022	0.5
56.96562	2.4
57.05819	0.4
67.05505	0.8
67.77913	0.3
69.03419	1.3
69.07069	10.1
70.06591	1.1
71.04993	0.5
71.58369	0.4
72.08164	0.5
73.84556	0.3
79.05460	0.5
80.05047	0.3
81.03432	0.8
81.07050	0.8
83.04978	0.7
84.04504	0.6
84.08160	0.6
85.02895	0.8
86.09706	100.0
87.04459	0.4
87.10073	0.3
90.01559	0.3
91.05479	1.1
93.07049	1.0
95.08631	0.7
97.02882	0.5
97.06536	0.6
97.10210	0.5
98.97584	2.8
99.04439	0.4
105.07051	0.8
107.08593	1.0
109.02882	0.6
109.10159	0.5
115.03986	0.4
116.98618	2.8
117.03376	0.4
119.01894	0.5
119.08553	0.5
121.06501	0.7
121.10134	0.8
125.09604	0.4
127.03912	0.4
130.06544	0.5
131.00143	0.3
131.08629	0.5
132.10202	1.8
133.10173	0.5
134.99658	2.9
142.03242	0.6
143.00122	0.6
145.02844	0.8
149.01227	0.8
151.03972	0.3
153.00656	0.6
157.06508	0.4
157.07610	0.8
157.10136	0.5
159.03314	0.6
159.07921	0.4
161.01277	0.9
161.02992	0.6
161.13239	0.4
161.97037	0.4
167.97217	0.4
170.02785	0.5
171.03279	0.5
172.97643	0.3
173.01114	0.3
175.14775	0.3
177.00764	1.2
177.05495	2.0
179.14313	0.6
185.01193	0.6
185.13268	0.4
189.00758	0.5
189.04263	1.7
191.02312	0.4
197.15443	0.8
199.11002	0.3
199.18112	0.6
202.06773	0.4
213.04074	0.4
245.04489	2.2
245.09563	0.6
245.11623	0.4
245.13686	3.9
245.18692	5.9
245.22614	0.5
246.11414	0.4
259.04150	0.3
267.03918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87978	1.9
55.39148	1.7
56.96559	4.8
57.07091	2.0
65.61774	1.7
67.05513	1.9
71.21771	4.1
72.08143	4.8
72.93774	2.5
74.02446	7.2
83.06103	2.2
84.08125	4.5
85.02913	7.1
86.09717	3.5
90.94841	2.3
91.05511	2.7
93.07070	2.3
97.02897	2.2
98.97582	11.0
105.07071	2.3
107.04995	2.0
116.98616	7.8
117.05759	17.3
129.07025	4.7
129.10184	2.2
130.06528	44.1
131.07295	6.7
134.99678	5.5
143.07306	11.8
144.08083	14.6
148.97566	2.2
149.96109	2.5
154.06525	15.0
155.06053	8.4
156.08099	19.1
157.07622	24.8
158.06046	7.9
158.08383	8.7
167.07343	2.6
167.97102	1.9
169.05225	7.0
169.07570	4.3
171.09206	23.7
177.00685	3.2
181.07616	21.6
182.06038	4.9
182.08441	3.8
183.09236	10.3
185.07097	69.6
187.06308	2.9
190.98700	2.6
198.10306	21.7
209.07050	11.8
227.08147	100.0
244.10880	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	245.186
Annotation	Ile Ile
Peak:m/z	Relative Intensity
53.03942	0.3
55.01868	0.4
55.05501	0.7
56.05019	0.3
56.96560	0.9
60.69148	0.3
67.05471	0.4
69.03430	0.5
69.07068	0.7
70.06593	0.4
70.30264	1.1
70.46013	0.3
71.04982	0.3
71.55314	0.3
72.93787	0.3
79.05486	0.3
81.03400	0.4
81.07053	0.6
83.04975	0.4
83.08649	0.3
85.02901	0.4
85.59335	0.3
86.09702	100.0
87.04462	0.4
87.10040	0.4
91.05500	0.3
93.07025	0.4
95.04974	0.3
96.37437	0.3
97.02905	0.5
97.06551	0.5
97.10142	0.3
98.97591	0.9
99.04481	0.3
115.03934	0.4
116.98628	1.1
117.03403	0.3
117.06976	0.4
119.08532	0.5
121.10117	0.3
132.10193	3.4
133.10233	0.3
134.56601	0.2
134.99696	0.7
142.03210	0.9
145.02827	0.4
149.01109	0.3
158.99687	0.4
161.01256	0.5
177.00726	0.4
199.18037	1.8
227.10725	0.3
245.04594	1.0
245.08058	0.3
245.11635	0.4
245.13486	0.4
245.18605	7.3
245.22473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06651	0.3
64.11913	0.3
64.84626	0.3
70.04017	2.0
74.61573	0.3
83.06094	0.5
84.08140	1.1
100.02495	0.5
100.57430	0.4
101.00873	1.5
102.00983	0.6
105.16689	0.3
111.10190	0.4
118.03471	0.8
119.01920	19.3
120.02020	4.6
121.01661	1.4
123.97874	0.4
125.37543	0.3
125.40868	0.3
129.10156	0.4
131.01915	0.4
134.03024	0.3
135.26740	0.3
136.04559	0.4
137.02946	9.9
138.03049	1.7
139.02670	0.8
142.03499	2.5
143.01884	0.5
145.03491	0.4
155.01831	0.4
157.03416	0.8
159.06218	0.4
159.99927	0.7
160.04585	1.9
161.02963	4.7
166.99835	0.4
173.02940	0.5
175.04482	0.5
177.00922	5.4
177.02266	0.3
178.01036	18.6
179.00694	4.7
179.04010	7.2
184.00026	0.7
184.04559	1.1
184.33400	0.3
185.02934	0.9
194.04149	0.4
196.02020	0.7
200.02972	0.4
201.02576	0.5
201.99254	0.3
202.01042	1.0
202.05583	1.3
203.03885	0.6
205.38560	0.4
218.04044	3.1
219.01979	5.4
219.03810	0.5
220.02115	22.9
221.01857	12.5
221.05121	0.7
226.00897	2.6
239.01834	2.2
243.03682	1.1
244.02010	7.0
245.01704	0.5
245.05028	1.9
261.02856	0.4
262.03186	100.0
263.02847	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	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03943	4.8
53.14553	2.4
55.01862	3.1
55.05498	3.2
56.96568	13.4
57.03420	2.6
61.02924	11.7
65.03937	9.6
67.05512	7.9
69.03433	8.9
69.07071	7.0
70.06579	4.2
70.47636	9.0
70.48040	5.4
71.04987	4.5
79.05507	9.2
81.03428	3.8
81.07067	10.4
83.05001	5.0
84.04514	3.9
85.02921	13.8
85.92547	2.4
86.09731	4.4
91.05482	22.4
92.45382	2.4
93.07047	7.2
95.01296	2.6
95.04996	20.0
95.08595	5.4
97.02887	11.4
97.06525	4.6
98.97594	13.1
99.04461	4.4
100.10247	2.6
105.07036	6.7
107.04963	10.3
108.02081	2.7
109.06541	14.3
110.03658	4.6
111.04467	3.3
116.98657	13.3
119.04965	7.7
119.08595	7.1
121.06468	5.0
121.10149	3.1
123.04411	13.9
123.08079	3.2
124.05257	2.9
125.06006	5.8
133.02863	13.9
133.10138	3.9
134.99649	9.0
135.04427	5.9
137.05984	23.5
140.03593	5.6
140.04691	97.2
146.99716	3.3
147.04424	7.2
155.07043	100.0
161.13264	3.1
163.03867	5.6
165.05496	17.9
171.06535	4.3
173.08168	12.5
173.13316	3.5
176.02161	3.0
177.00748	8.5
179.07050	11.5
180.04190	17.2
181.04977	74.7
183.06491	4.0
193.04985	29.8
195.06557	10.8
197.06053	3.0
197.08141	9.3
206.71706	2.8
207.06522	32.4
207.13733	3.7
213.07759	5.5
219.01791	3.5
222.08508	4.9
225.07625	21.7
231.05209	23.2
231.08775	4.6
231.55377	3.4
237.02765	3.4
242.56081	5.5
243.06509	5.1
243.08626	24.8
243.10944	4.4
243.13664	3.3
243.21019	3.7
254.01038	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	243.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
53.14553	2.4
55.01862	3.1
55.05498	3.2
56.96568	13.4
57.03420	2.6
61.02924	11.7
65.03937	9.6
67.05512	7.9
69.03433	8.9
69.07071	7.0
70.06579	4.2
70.47636	9.0
70.48040	5.4
71.04987	4.5
79.05507	9.2
81.03428	3.8
81.07067	10.4
83.05001	5.0
84.04514	3.9
85.02921	13.8
85.92547	2.4
86.09731	4.4
91.05482	22.4
92.45382	2.4
93.07047	7.2
95.01296	2.6
95.04996	20.0
95.08595	5.4
97.02887	11.4
97.06525	4.6
98.97594	13.1
99.04461	4.4
100.10247	2.6
105.07036	6.7
107.04963	10.3
108.02081	2.7
109.06541	14.3
110.03658	4.6
111.04467	3.3
116.98657	13.3
119.04965	7.7
119.08595	7.1
121.06468	5.0
121.10149	3.1
123.04411	13.9
123.08079	3.2
124.05257	2.9
125.06006	5.8
133.02863	13.9
133.10138	3.9
134.99649	9.0
135.04427	5.9
137.05984	23.5
140.03593	5.6
140.04691	97.2
146.99716	3.3
147.04424	7.2
155.07043	100.0
161.13264	3.1
163.03867	5.6
165.05496	17.9
171.06535	4.3
173.08168	12.5
173.13316	3.5
176.02161	3.0
177.00748	8.5
179.07050	11.5
180.04190	17.2
181.04977	74.7
183.06491	4.0
193.04985	29.8
195.06557	10.8
197.06053	3.0
197.08141	9.3
206.71706	2.8
207.06522	32.4
207.13733	3.7
213.07759	5.5
219.01791	3.5
222.08508	4.9
225.07625	21.7
231.05209	23.2
231.08775	4.6
231.55377	3.4
237.02765	3.4
242.56081	5.5
243.06509	5.1
243.08626	24.8
243.10944	4.4
243.13664	3.3
243.21019	3.7
254.01038	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	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.2
57.07077	0.1
58.69644	0.1
63.42546	0.1
70.86077	0.2
70.86419	0.1
72.08083	0.1
76.91698	0.1
81.07042	0.1
82.99892	0.2
93.07022	0.1
95.08626	0.1
101.00867	1.4
107.08615	0.1
110.07195	0.1
116.98664	0.1
119.01920	12.3
120.02009	0.3
122.97864	0.2
124.31342	0.1
134.99860	0.7
136.04475	0.1
137.02956	6.3
138.03059	0.1
140.98880	0.3
142.03519	0.7
153.00954	0.8
156.97467	0.1
158.99849	0.7
159.06206	0.1
160.04539	0.7
161.02937	0.2
165.99603	0.2
174.98595	0.1
175.03003	0.3
176.02602	0.1
177.00952	25.2
178.01018	1.2
178.03889	0.1
178.05559	0.2
179.01369	0.1
179.03944	0.1
179.99136	0.2
182.99773	0.4
183.06096	0.2
184.04593	0.2
193.04074	0.4
194.06699	0.1
195.02017	0.6
197.00595	0.3
197.02704	0.1
198.00169	0.1
200.02579	0.9
201.00916	1.1
201.02509	0.5
201.07306	0.2
202.00902	0.1
202.05577	0.2
215.01639	0.3
215.03943	0.2
217.04079	3.5
218.03600	0.3
219.02002	27.6
220.02141	3.6
220.04480	0.2
221.01889	0.4
225.00818	2.1
227.99617	0.2
236.99614	0.1
237.03053	0.1
237.95557	0.2
238.03223	0.3
238.05585	0.2
242.03603	1.1
242.96419	0.2
243.01895	6.4
243.10497	0.1
243.13245	0.1
243.21204	0.1
260.04596	0.3
261.03052	100.0
262.03226	2.1
263.03479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84980	1.1
55.01869	5.2
57.03433	12.2
58.06577	3.0
61.02934	1.2
65.61063	1.2
70.82516	1.9
70.82852	1.7
71.01352	7.3
71.04967	3.2
73.02915	5.6
75.04478	1.7
77.64265	0.9
82.74899	0.9
83.01330	1.9
84.08143	1.3
85.02893	4.1
85.08482	1.4
85.85558	1.1
87.04469	8.0
89.02382	6.2
101.02377	20.5
101.41414	1.1
103.03928	3.1
111.00774	1.8
113.02389	1.6
115.03924	32.8
129.01845	22.0
131.03378	1.8
133.04921	3.1
141.01756	1.4
141.77052	1.1
143.03394	17.3
145.04933	1.1
147.02856	1.9
151.09372	1.0
157.01321	29.0
161.04456	15.5
171.02846	3.9
175.02412	3.7
189.03940	100.0
207.04973	6.9
224.07664	2.9
242.15764	18.1
242.98892	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
61.02919	7.0
69.89956	15.9
71.04977	2.7
74.51257	3.1
79.09462	2.6
79.92010	2.4
84.08158	4.2
85.02898	4.7
91.74312	2.8
95.06097	3.7
97.02879	4.9
112.05079	4.7
119.01944	4.0
128.01718	3.0
134.06018	3.8
137.05954	3.5
153.02434	9.3
158.08061	3.4
161.07115	3.5
178.03229	9.5
181.04305	10.2
182.05074	13.6
225.06924	100.0
242.99120	6.9
243.07994	12.8
243.13608	3.9
243.16077	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.76157	0.3
55.01859	0.5
55.05495	1.0
56.05032	0.4
56.96553	0.6
57.03428	0.5
57.07045	0.4
57.98672	0.3
58.06311	0.7
58.06601	14.4
59.04985	0.3
59.97221	0.3
60.97757	0.2
61.02937	0.5
67.05493	0.6
69.03416	0.9
69.07053	0.7
70.06592	2.4
71.04984	0.5
71.22244	0.4
71.22605	0.4
72.08158	0.4
73.02914	0.6
79.05479	0.3
81.03407	0.7
83.05001	0.4
83.08609	0.4
84.04528	0.4
84.08142	8.6
85.02878	1.2
85.06522	0.3
90.42164	0.3
91.05478	0.5
93.03705	0.8
97.02872	1.0
97.10146	0.4
98.06044	0.4
98.09686	1.4
98.97581	0.7
99.04415	0.5
102.00912	0.3
105.07027	0.3
107.08505	0.3
109.02850	0.3
113.09657	0.3
114.05524	0.3
116.10662	0.4
116.98587	0.8
119.01897	0.9
123.04474	0.3
124.07558	0.4
126.05538	0.5
127.03924	0.5
128.10728	3.3
131.08508	0.3
134.06044	1.3
134.99637	0.7
137.05972	0.5
137.98540	0.3
140.53073	0.3
144.10210	1.1
147.05786	0.9
152.07092	2.0
152.10683	0.3
161.02968	0.5
168.10260	0.9
168.46538	0.3
174.98590	0.5
177.00702	0.5
178.06038	0.3
196.09692	4.6
198.98395	0.4
216.99739	0.3
223.05568	0.3
223.13190	0.4
233.08662	0.5
241.15469	100.0
242.07593	0.4
242.15741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
55.05510	7.8
57.03434	2.1
57.07091	1.4
67.05501	10.3
69.03409	1.4
69.07062	4.3
70.56503	2.7
70.56902	2.8
73.02915	1.4
79.05491	16.9
81.07055	12.0
83.04982	1.9
83.08617	4.7
91.05482	5.3
93.07050	22.1
93.80851	1.4
95.04961	4.2
95.08606	26.0
97.02898	3.9
97.06516	2.6
99.04452	2.4
105.07004	4.1
107.04937	6.8
107.08610	16.1
109.10144	2.3
117.07011	6.7
119.08582	6.1
121.06481	2.6
121.10152	10.3
125.05956	3.1
127.80140	1.7
131.08597	1.6
133.10150	3.4
135.08092	2.2
135.11687	25.9
143.08604	1.4
145.04823	1.4
145.10120	17.4
163.11177	40.8
181.12233	8.6
193.81876	1.6
227.12776	100.0
241.19600	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	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42437	1.0
55.05265	1.2
55.05509	19.9
57.07076	100.0
58.91526	1.1
65.03940	1.8
67.05505	42.0
69.06728	2.2
69.07068	20.3
70.55493	0.9
71.04976	2.2
71.08631	68.6
71.58646	1.8
72.04491	1.5
79.05489	4.9
81.07055	43.7
83.08146	1.4
83.08620	28.5
85.06534	3.0
85.10182	32.8
88.02211	1.3
89.06023	3.7
90.48319	1.0
91.05470	2.2
93.07035	3.1
94.87910	1.3
95.04923	1.1
95.08604	61.7
97.10178	11.2
99.04438	1.3
99.08092	1.1
99.11752	1.1
105.07005	2.1
107.08564	1.1
109.09458	1.8
109.10159	25.5
111.11693	1.1
119.08582	1.5
123.11711	7.1
133.08586	1.1
136.76587	1.0
137.09645	1.2
137.13228	1.5
138.66461	0.9
155.08522	1.6
159.11795	1.2
169.10106	1.3
171.11696	1.2
182.63559	1.2
183.11697	4.1
197.13261	3.2
224.69249	1.0
239.08859	4.0
239.10878	1.5
239.18036	10.9
239.23659	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	240.1594
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
52.28866	0.9
55.01873	7.8
55.05500	3.1
56.96548	2.0
64.98520	0.9
65.03937	1.2
67.05499	4.3
68.05021	1.5
69.03397	1.2
69.07072	9.8
70.02952	1.7
70.06595	14.2
71.04998	17.6
71.58306	1.7
73.27968	1.1
79.05485	2.8
81.07052	4.9
82.06510	1.0
83.04983	2.2
84.02116	1.6
84.04485	1.2
85.28210	1.0
86.06083	3.7
91.05469	2.2
93.07039	2.3
95.08610	1.9
96.04479	2.4
96.08134	17.8
97.05279	1.9
97.06497	1.2
98.06042	1.6
98.09689	7.8
98.97594	2.2
103.80585	1.2
106.06560	3.4
107.08636	2.4
108.08109	3.4
109.10139	2.3
111.04423	2.0
116.98621	1.9
118.97330	1.1
119.04937	1.0
119.08583	1.3
122.06031	7.4
124.07595	52.3
125.08365	3.4
134.05980	1.7
134.99678	1.6
135.08073	1.5
136.07527	1.2
137.05983	13.8
138.06322	6.4
140.07079	10.0
150.12785	4.1
152.07047	2.9
153.07869	7.1
153.08897	1.1
153.81567	1.0
158.38792	1.1
176.14384	3.6
194.15436	5.5
204.13863	4.5
207.06590	1.2
207.56920	4.9
208.07076	1.5
216.57472	1.3
219.07727	1.3
222.14897	100.0
223.15237	1.6
225.05522	1.1
235.02829	3.1
236.03331	2.5
240.06541	2.3
240.15877	5.3
240.23489	1.3
241.08504	1.4
254.04510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.05515	18.0
56.96577	6.0
57.07063	8.8
59.05006	35.4
67.05506	21.5
69.03426	9.4
69.07066	10.0
71.04990	11.1
71.08636	3.8
71.56470	3.1
79.05504	8.4
81.07064	24.6
83.04989	31.2
83.08648	5.1
83.39107	2.1
85.02909	4.3
85.06554	4.1
85.10197	2.7
89.06046	4.6
91.05492	17.5
93.07052	32.9
95.04422	2.1
95.04977	9.9
95.08607	48.8
97.02921	3.7
97.06544	5.9
97.10148	5.5
98.97585	6.9
99.04472	2.3
99.08086	2.4
105.07032	22.1
107.08594	17.6
109.02945	2.4
109.06517	9.3
109.09502	3.1
109.10137	18.0
111.04444	7.7
111.08094	12.3
113.03502	4.8
113.05946	2.7
116.98620	7.2
117.07041	3.1
119.04967	4.3
119.08598	27.7
121.06532	12.5
121.10153	8.6
123.04493	3.9
123.08071	5.2
123.11717	6.5
125.09623	5.8
127.03919	3.3
129.07074	2.2
131.08607	2.7
132.04459	6.0
133.06500	4.2
133.10138	33.4
134.99675	6.7
135.08093	8.2
135.11700	100.0
137.05974	9.7
137.09628	8.4
139.07521	10.7
145.02861	6.7
145.10094	3.5
147.08009	2.7
147.11688	63.2
149.02309	2.2
149.09595	3.4
149.13263	4.9
151.03891	4.6
151.07538	2.8
151.11200	9.5
153.05496	2.5
153.09091	3.1
157.10115	3.6
158.99658	4.3
159.11716	3.0
161.09679	12.9
165.05478	3.7
165.09138	3.0
175.11206	13.3
177.00722	5.2
177.05478	8.8
177.11119	17.3
177.12782	35.2
179.07159	2.7
179.09204	2.9
179.10652	31.0
179.12155	3.1
193.12102	12.2
196.16969	3.1
201.74181	2.0
203.10718	4.3
208.08624	3.5
221.08148	2.9
221.11464	14.2
221.13640	5.7
222.11862	2.0
239.06955	4.2
239.09006	35.7
239.12659	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.08096	2.3
53.15983	2.3
55.01863	5.4
55.05517	22.1
56.96555	10.4
57.03425	6.9
57.07074	12.2
59.04982	3.3
64.73360	2.2
65.03932	2.8
67.05496	22.7
69.03428	20.9
69.07079	22.9
71.04996	40.7
71.08623	3.8
71.59195	3.1
72.40448	2.3
77.60305	2.5
79.05497	30.5
81.03419	5.1
81.07061	100.0
83.04993	21.5
83.08605	10.2
85.02908	5.8
85.06545	7.6
91.05479	19.7
92.63885	2.6
93.07052	39.2
95.04973	19.7
95.08607	34.4
97.02887	2.7
97.06535	17.7
97.10136	8.7
98.97576	19.4
99.04465	2.7
99.08109	21.9
105.07029	44.9
107.04941	4.1
107.08610	45.6
109.02923	3.3
109.06538	18.7
109.10158	38.5
111.04427	4.0
111.08084	8.8
115.05421	3.5
116.36378	2.5
116.93214	2.3
116.98639	16.3
117.07001	5.2
119.08592	18.6
121.06496	4.7
121.10141	26.9
123.08076	8.2
123.11685	14.5
125.05979	4.1
125.09602	13.3
127.07575	13.6
127.11198	38.7
131.08594	19.4
133.10135	56.8
134.99670	11.9
135.08029	9.8
135.11664	15.8
137.05951	4.1
137.09587	5.9
139.11169	6.3
143.10666	6.9
145.10139	25.9
146.99669	3.2
147.11729	11.7
149.02322	6.5
149.05965	2.6
149.09624	7.7
149.13228	10.6
151.10121	4.1
151.11198	52.0
153.12747	3.3
154.03821	3.7
155.10684	16.6
156.08078	3.4
158.99672	7.7
159.08041	4.8
159.11688	18.3
161.13283	8.9
163.07495	4.0
163.11137	8.2
165.12767	3.5
169.12241	7.0
173.09656	3.3
173.13251	10.2
177.00737	18.2
177.05435	5.1
177.12787	6.6
177.16402	4.9
181.08571	4.0
191.10750	4.1
191.18022	2.9
193.04956	5.9
201.12878	2.5
201.16394	15.1
207.09839	2.5
219.10054	8.1
219.13835	9.2
219.17499	22.8
219.21103	4.2
222.10152	11.1
222.60297	3.1
223.04196	3.7
228.10147	10.3
237.07555	9.1
237.10936	16.8
237.15601	27.9
237.18459	30.5
237.22121	18.7
237.60815	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	237.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12943	0.3
56.96553	0.6
61.69263	0.3
63.14697	0.3
65.03958	0.4
65.10773	0.3
67.05498	0.5
69.07051	0.5
70.03793	0.3
71.26772	0.8
72.33527	0.3
74.02444	4.1
75.03208	0.8
79.05491	0.5
80.05003	0.4
88.24590	0.3
89.03935	0.4
91.05470	1.4
92.04990	0.7
93.07040	0.5
94.06559	3.0
95.04963	0.4
95.08588	0.5
95.68278	0.3
99.00826	0.6
104.04945	0.6
107.08586	0.5
108.04440	0.7
110.06031	1.5
111.04439	0.4
117.05733	0.6
118.06541	8.1
120.04456	2.3
120.08071	0.5
128.04953	4.3
130.06525	11.0
131.07281	1.0
132.04459	1.6
132.07956	0.4
133.05223	1.8
135.04427	0.8
136.07567	5.7
143.00139	0.7
144.08075	0.4
145.07610	1.2
146.06006	100.0
147.06361	1.1
148.03923	9.2
148.07542	0.3
150.05487	1.4
156.04454	0.6
157.07597	8.5
158.06006	1.1
159.09180	1.9
160.03876	0.4
161.01239	0.6
162.05530	0.7
163.03935	2.9
164.07028	1.9
166.08597	0.4
173.07114	2.8
174.05511	11.3
176.07098	0.6
178.05005	1.3
185.07077	0.6
191.08142	10.5
192.06543	2.9
202.04916	1.9
203.08162	6.6
204.08928	0.6
219.07669	1.0
220.06061	3.9
220.08244	0.9
237.08736	8.3
237.22095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03928	1.4
55.01871	12.2
55.05505	7.3
56.96558	1.6
57.03431	0.9
57.07067	3.0
64.31258	0.8
65.03936	1.9
67.05501	12.4
69.03425	1.9
69.07052	5.3
71.04983	3.1
71.58947	1.2
71.59357	1.1
73.02922	1.2
79.05482	6.3
81.03425	1.2
81.07053	15.4
83.04977	34.4
83.08624	1.8
85.02893	2.5
85.06526	1.2
91.05482	4.7
93.03418	2.2
93.07041	9.9
95.04974	3.8
95.08610	9.2
97.06509	2.5
99.04446	2.8
101.02370	4.0
105.07023	9.2
107.08598	8.6
107.61436	1.0
109.06548	1.9
109.10154	8.0
111.04438	100.0
111.08085	1.8
113.09652	1.3
117.07011	2.8
119.08575	20.6
121.06487	2.5
121.10141	25.6
123.08047	2.1
123.11692	1.9
125.06060	2.2
125.09599	1.6
127.11108	1.0
131.08568	5.0
133.10152	9.3
135.08032	2.6
135.11678	3.8
137.09616	1.3
137.13261	2.5
139.07536	1.3
143.08530	1.7
144.09328	1.3
145.10126	2.5
147.11728	1.5
149.09579	1.9
149.13274	2.3
150.72617	1.0
151.11142	1.3
153.09079	1.5
155.08600	1.3
157.10120	5.2
159.08011	2.3
159.11685	17.7
159.12874	1.7
161.06021	1.3
161.09621	6.1
161.13277	1.3
163.07593	2.9
167.10681	1.7
173.13248	5.3
177.09100	4.1
177.12778	5.8
179.10658	5.5
181.08635	1.8
181.10117	1.3
183.11684	3.8
184.09314	1.1
191.08405	1.0
191.14278	3.2
195.11667	1.1
201.12732	4.6
201.16508	1.2
209.13373	1.1
219.10371	1.1
219.13808	15.3
228.87698	0.9
237.07495	1.9
237.14619	10.5
237.18484	2.4
237.22134	6.5
259.94559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05256	0.4
53.17237	0.4
55.05518	1.4
56.96563	0.7
57.07084	1.3
61.56911	0.4
67.05509	0.7
69.07079	1.1
71.11036	1.0
79.05479	0.8
81.07040	0.8
83.05013	0.6
91.05478	2.7
93.07044	1.0
97.06530	1.1
98.97589	0.9
100.11256	0.9
102.96817	0.5
103.05463	9.9
105.07018	0.9
107.08597	1.5
115.05472	1.1
116.98627	1.0
117.07022	8.7
118.07389	0.4
119.04932	0.8
119.08639	0.5
120.08115	0.4
121.06509	1.0
123.04437	4.2
129.06982	0.7
131.04932	36.1
131.08562	3.1
133.06514	0.5
135.08113	0.6
137.05974	9.3
144.05682	1.0
145.06487	21.2
149.05981	100.0
150.06322	0.8
151.07513	0.5
158.99678	0.5
159.08072	4.2
161.06010	0.7
162.06773	1.3
163.07547	36.1
175.07666	0.5
177.09062	3.6
185.07797	0.5
201.12784	1.8
219.10211	2.5
219.13800	53.2
220.14131	0.7
236.16451	75.3
237.16771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0693
Annotation	ZILEUTON
Peak:m/z	Relative Intensity
52.46050	0.9
55.01863	1.3
55.05499	2.2
56.05029	1.0
56.96559	2.9
57.07064	3.4
60.04523	2.4
67.05499	2.4
69.03420	2.3
69.07054	2.4
70.06599	4.8
70.96828	2.2
71.01353	2.2
71.04977	1.4
72.08150	2.4
74.02448	0.8
79.05479	2.5
81.07054	4.4
83.04981	3.6
83.08591	1.3
84.04490	1.1
84.08131	2.4
85.02895	1.5
85.06543	0.9
86.09695	1.4
87.04491	1.3
91.05471	2.0
93.07037	2.8
95.04964	1.9
95.08607	3.3
97.02877	1.4
97.06535	1.2
97.10189	1.1
98.97578	0.7
99.04477	1.0
103.05452	1.0
105.07012	1.2
106.05045	3.7
107.05424	1.7
107.08611	2.1
109.06524	1.2
109.07603	0.9
109.10155	2.0
109.52682	0.8
110.06035	1.2
112.07614	1.7
116.07055	0.8
116.98587	1.5
118.03526	0.8
118.06506	0.9
119.01919	0.9
119.08604	1.1
120.08101	1.1
121.06517	1.3
121.10139	1.8
122.07159	0.7
123.08052	1.2
125.09636	1.0
130.24414	0.7
131.03401	1.4
133.10068	0.7
134.06096	1.5
134.99666	1.2
135.06799	1.0
135.11690	2.0
137.05992	1.6
145.10104	1.0
146.04826	1.3
146.05998	21.4
146.07079	1.5
147.06789	2.6
148.03966	2.4
148.07567	1.0
149.00555	4.5
150.03729	2.3
151.02162	2.2
152.01646	1.6
159.02907	1.8
159.11621	1.0
162.07898	11.5
163.02173	1.1
163.03987	1.0
163.06009	1.3
164.05331	0.9
164.07065	3.6
164.55386	0.9
165.07143	0.8
166.03207	7.1
172.95303	3.5
173.07120	2.4
174.05505	3.2
174.98549	1.2
178.03215	19.9
180.04791	2.7
189.67891	0.7
190.96303	1.9
191.08263	2.8
191.10719	1.8
192.04817	3.9
192.06352	0.9
194.02725	3.4
195.05916	10.7
208.04271	33.5
213.94147	1.3
213.99687	1.2
219.08487	17.2
219.10378	0.9
219.17584	1.1
219.21115	1.2
220.04297	11.0
220.06384	1.3
227.57033	1.3
237.06960	100.0
237.09441	18.5
237.11996	2.3
237.14864	2.3
237.22112	7.4
238.07216	1.0
238.10736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
55.05504	0.9
55.72681	0.5
56.96562	0.8
57.07085	0.8
67.05492	1.2
69.03430	0.7
69.07062	1.4
71.40232	1.2
74.02447	4.4
75.03222	0.6
79.05492	1.0
80.05040	0.9
81.07045	1.4
83.67972	0.5
91.05477	1.9
94.06581	3.9
94.19244	0.5
95.08611	0.7
96.72714	0.6
97.02926	0.6
104.05016	0.9
107.08604	0.7
109.05312	0.6
109.10185	1.1
110.06047	1.7
117.05765	0.7
118.06546	7.8
120.04472	2.6
121.10133	0.8
122.06023	1.0
128.04974	3.6
130.06548	9.9
131.07271	0.7
132.04448	2.4
133.05267	1.4
134.05962	1.1
136.07594	7.6
136.67296	0.5
144.08186	0.7
145.07591	1.1
146.06015	100.0
147.06458	0.7
148.03938	8.8
150.05508	1.8
157.07619	8.9
158.06067	0.6
159.09181	2.2
161.01205	0.7
162.42079	0.6
163.03903	1.1
164.07072	2.6
173.07088	3.1
174.05544	11.0
178.04984	1.6
191.08177	12.9
192.06540	3.8
202.04993	2.4
203.08144	8.2
205.31554	0.5
219.07719	1.4
220.06100	4.6
220.08363	1.1
237.08781	9.8
237.12549	0.6
237.14847	0.6
237.22098	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	236.0916
Annotation	Thalflavine
Peak:m/z	Relative Intensity
55.05488	1.0
56.96555	2.3
57.03412	0.8
57.07073	2.2
58.07358	0.5
59.04977	0.6
60.04255	0.5
60.04520	6.0
61.02868	0.5
67.05485	1.2
69.03405	1.1
69.79182	0.4
70.06562	1.5
70.94585	1.1
73.02890	0.8
73.06548	1.1
77.33650	0.5
79.05482	0.5
79.55264	0.4
81.03388	0.5
81.07070	0.5
84.04486	0.6
84.08128	1.0
85.02879	2.0
85.06523	1.0
86.02427	0.5
90.94831	0.5
91.05465	1.2
93.07024	0.6
95.04939	1.2
95.08549	0.5
97.02872	1.7
98.97543	1.7
106.04289	0.7
106.05019	13.4
107.00613	0.4
107.04943	0.7
110.84958	0.4
116.98627	2.3
117.07016	0.7
119.04923	1.0
120.01141	0.7
127.03903	0.7
132.02902	0.7
134.06039	2.9
135.04381	1.5
137.05981	3.0
139.15039	0.4
144.04494	0.5
144.08064	2.0
145.06468	0.9
146.04089	1.0
146.05966	0.6
146.99646	0.5
147.04396	0.5
155.04639	3.9
161.05954	0.7
162.05499	14.6
162.07712	0.6
162.09099	0.6
163.06261	1.6
164.05132	2.3
166.55428	0.6
172.07553	2.0
173.05925	0.7
174.11217	1.1
175.06303	0.9
175.55995	0.6
176.07034	1.0
177.00729	1.1
178.03241	0.8
182.03270	0.6
190.08626	13.0
191.03864	0.7
200.07172	0.8
200.09117	1.2
204.10239	0.9
208.04204	0.9
218.08121	99.6
219.08383	1.8
227.06772	2.2
227.08778	0.9
236.09172	100.0
236.11154	5.2
236.17152	5.0
237.06953	2.3
237.09424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.55619	1.5
55.01878	1.7
55.05504	3.5
56.96556	1.9
57.07076	34.1
65.17396	1.4
67.05496	11.8
69.07058	4.4
70.32421	6.2
79.05495	16.1
79.48406	1.6
81.07053	10.5
83.04988	2.1
83.08624	2.0
91.05482	23.4
93.07042	52.7
95.04961	6.7
95.08609	10.8
96.53688	1.7
97.02865	1.7
97.06521	3.5
103.05435	1.6
105.07014	9.2
107.04955	3.8
107.08603	11.3
109.06544	3.8
109.10164	4.3
111.04393	2.2
115.05452	4.6
117.07001	2.1
118.04118	2.0
119.08572	9.7
121.06476	1.5
121.10154	11.6
123.04427	3.6
123.08088	2.3
129.07039	2.9
131.00163	2.2
131.08556	3.1
133.06505	2.2
133.10144	8.0
135.08124	2.0
135.11717	2.6
137.09663	2.3
137.13210	1.6
139.03854	1.4
145.10146	2.6
147.04411	2.7
147.08072	4.5
147.11678	4.3
149.09615	3.0
151.07468	3.6
157.10115	2.3
159.11671	3.9
161.05815	1.7
161.09558	3.0
161.13257	4.3
163.07483	1.8
167.06961	2.9
173.06001	2.3
175.07561	5.5
175.11192	3.3
175.14830	4.2
179.10683	22.4
189.16399	2.2
191.07013	8.3
193.08604	8.4
199.14767	2.3
206.02209	1.6
207.10179	4.8
217.15860	6.0
217.19513	4.1
223.04192	1.6
235.05713	5.7
235.09641	5.6
235.13182	4.6
235.16933	100.0
235.20297	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	235.1692
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
50.01598	0.3
51.02372	0.7
51.92409	0.3
53.03947	4.7
54.44515	0.3
55.01868	0.7
55.05503	1.5
57.07073	2.0
64.87628	0.3
65.03938	1.1
67.05505	19.2
69.07069	2.2
69.77180	1.1
69.77608	0.9
71.04990	0.5
77.03927	0.8
79.05495	21.1
80.06258	0.3
81.03410	0.5
81.07060	5.4
83.04987	0.8
83.08607	0.8
85.06548	0.9
88.66927	0.3
91.05483	34.9
93.07043	100.0
94.07374	1.1
95.04967	11.1
95.08611	5.0
97.06519	0.6
97.10159	0.4
105.04507	2.2
105.07047	3.3
107.07864	0.6
107.08591	10.4
108.09000	0.3
109.06532	0.5
109.10169	2.0
111.04410	0.5
117.07004	1.4
117.11604	0.3
119.08588	3.6
121.06522	0.7
121.10141	16.9
123.08067	0.4
123.11667	0.3
129.06999	1.0
131.08565	2.2
133.06546	0.4
133.10130	4.3
135.08061	1.3
135.11685	3.2
137.09595	0.4
139.03911	0.8
143.08571	0.9
145.10039	0.7
147.08015	0.5
147.11662	0.6
149.09628	0.9
151.11159	0.6
153.09132	1.1
155.03731	0.3
157.10149	1.0
161.09669	0.4
171.11722	0.8
173.13283	0.9
175.11256	0.4
175.14816	1.2
179.10696	1.7
189.12703	0.8
189.16399	1.2
191.07095	0.6
193.08630	0.8
193.12273	0.4
196.08130	0.4
199.14857	2.7
207.10132	0.5
217.15898	1.5
235.09669	0.6
235.16930	17.9
240.41740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38683	3.1
70.06587	4.1
70.39234	13.5
72.08165	19.8
84.08141	9.7
88.07626	6.2
94.93026	8.3
101.37811	2.8
124.40605	3.1
130.08607	3.5
131.21931	3.2
136.94023	100.0
142.25360	2.9
146.08128	6.6
174.91858	4.4
217.15599	9.5
218.15669	3.3
234.18138	20.0
234.83350	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	235.1692
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02377	0.6
52.27206	0.4
53.03736	0.4
53.03951	4.5
55.01887	0.6
55.05518	2.8
56.96565	0.6
57.06817	0.8
57.07075	7.7
65.03943	1.3
67.05506	19.8
69.03426	0.8
69.07078	3.7
71.04989	1.3
71.43448	0.7
77.03922	0.8
79.05493	23.0
81.03412	1.0
81.07058	9.0
82.06400	0.4
83.04987	1.0
83.08624	1.0
85.06537	0.6
91.05480	36.0
92.05789	0.6
93.07044	100.0
94.07381	0.9
95.04971	12.4
95.05557	0.8
95.08047	0.6
95.08612	8.6
97.06515	2.4
97.10157	1.0
101.06042	0.5
105.04509	1.5
105.07024	5.1
107.04977	0.8
107.08595	14.3
109.02906	0.5
109.06527	1.8
109.10159	3.3
115.05444	0.5
117.07029	1.9
119.08585	6.7
119.52583	0.4
121.06545	1.2
121.10146	19.9
123.08092	1.1
123.11685	0.9
129.07005	1.2
131.08563	2.8
133.10146	5.4
135.08064	2.5
135.11710	4.0
137.09663	0.6
143.08562	1.0
145.10146	1.4
147.08070	0.4
147.11725	1.7
149.01103	0.5
149.02332	0.7
149.09659	1.0
149.13239	0.9
151.03932	0.5
151.07596	1.4
151.11221	0.9
153.09143	1.5
157.10172	1.3
159.11710	1.5
161.09648	1.1
161.13344	0.7
171.11688	1.3
173.13229	0.7
175.11205	1.5
175.14819	3.0
179.10666	4.9
189.12700	0.9
189.16412	1.5
191.07039	1.0
193.08633	0.6
193.12251	0.6
199.14838	2.5
217.15889	3.4
217.19490	1.1
235.06035	0.6
235.09634	0.9
235.13173	1.1
235.16933	37.5
235.20300	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	234.1488
Annotation	Methylphenidate
Peak:m/z	Relative Intensity
53.34029	1.1
55.05507	6.0
57.07075	2.8
58.06594	3.2
63.65232	1.1
69.06715	1.8
69.07066	21.0
69.39861	7.5
69.40285	2.7
72.08147	3.0
79.05486	1.8
81.07051	5.0
91.05492	4.5
92.05806	1.2
93.07037	1.4
93.88354	1.1
97.06554	2.2
98.97577	2.8
103.05461	3.2
105.03391	1.4
105.07039	3.6
111.04475	1.1
115.05468	6.7
117.07046	2.9
120.08079	2.0
123.04422	14.3
128.06221	4.2
129.07005	20.0
130.04169	2.3
131.04916	12.4
131.08568	1.2
133.06483	1.5
136.06177	32.9
137.05052	1.1
137.05936	7.9
142.07677	1.0
143.04892	8.6
143.08565	4.5
144.05736	1.3
145.06483	4.2
146.06044	3.2
147.04410	14.8
147.08087	2.0
148.05194	9.1
149.04767	1.9
149.05971	35.9
151.07504	1.2
156.09314	1.8
157.06503	17.4
158.38324	1.0
158.39674	1.1
160.05231	5.6
161.05972	60.6
162.06804	10.8
163.07556	3.7
164.07066	91.6
170.07237	3.0
171.08076	5.2
171.11658	9.8
173.05994	1.6
174.06778	2.0
175.07542	63.1
176.08240	1.1
177.00700	1.8
184.08908	3.1
188.08389	3.6
189.09099	6.6
189.10545	1.1
199.11177	11.8
202.52350	1.2
205.12221	1.2
214.06749	1.8
217.12245	75.2
229.11682	1.0
234.15059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03937	1.2
55.01862	3.4
55.05500	4.4
55.70953	0.9
57.03436	1.6
57.07068	3.2
65.03918	2.0
66.42712	0.8
66.90504	0.9
67.05505	9.8
69.03432	17.1
69.07068	15.1
70.88614	2.7
71.05001	2.0
71.65157	0.9
74.94364	1.0
75.18715	1.0
79.05493	23.6
81.02692	0.9
81.07044	13.5
83.04989	2.2
83.08620	2.3
85.02914	3.0
85.06536	1.8
91.05484	31.8
93.07042	10.6
95.04969	29.4
95.08588	6.1
97.06535	62.2
102.98746	1.0
103.05447	2.0
105.07034	16.3
107.04951	10.8
107.08596	15.4
109.02898	2.6
109.06508	8.5
109.10158	6.4
111.04472	2.3
111.08041	1.8
115.05460	3.3
116.06252	1.1
117.07034	5.4
119.04948	6.3
119.08583	100.0
121.06532	7.3
121.10143	15.6
123.08079	3.1
123.11715	4.6
125.09694	1.6
127.03892	1.1
128.06265	2.2
129.06993	4.0
130.07794	1.1
131.08569	17.2
131.90146	1.0
133.06487	7.6
133.10132	10.5
135.04451	1.2
135.08055	4.4
135.11646	2.1
137.05984	45.2
137.09596	1.6
141.07040	1.7
142.07767	3.0
143.08556	3.4
144.05646	1.1
144.09290	1.8
145.06480	4.3
145.10143	16.6
146.09651	1.2
147.04381	4.5
147.08061	3.3
147.11684	5.2
149.06007	1.8
149.09636	9.1
151.07516	1.6
151.11154	1.7
153.07008	5.0
154.07790	2.3
155.07268	1.4
155.08546	32.5
156.09355	3.8
157.10110	6.1
158.10896	1.7
159.08076	6.7
159.11702	9.3
161.13255	1.2
165.07033	3.2
167.08568	3.7
169.10149	3.9
171.11678	6.7
173.09659	6.3
173.13264	9.5
174.06781	1.7
175.07617	4.7
175.09917	1.3
175.11208	5.2
177.09129	4.5
182.10878	7.0
183.08054	17.1
185.09528	1.6
187.07576	2.9
187.11188	4.2
187.14818	8.2
189.09119	15.1
189.12761	7.8
191.06952	1.6
191.10678	1.9
191.14281	13.7
197.13289	10.9
200.08392	3.4
200.11920	1.7
202.08499	2.3
205.15781	1.2
215.10687	55.8
215.14186	17.3
215.17838	1.7
216.11032	1.6
216.17490	1.2
233.08057	2.6
233.11748	36.6
233.15384	60.0
233.19112	2.8
233.23010	1.3
234.11281	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
55.05509	9.5
56.96552	1.8
57.07072	3.4
59.72800	1.4
65.03942	1.2
67.05503	25.3
69.03410	1.4
69.07064	7.5
70.31339	2.3
70.31756	3.7
79.05492	18.0
81.07059	47.3
83.08610	4.6
85.28115	1.2
86.71885	1.3
91.05479	17.4
93.07048	23.6
95.04951	4.0
95.08605	36.7
97.06524	1.9
97.10174	1.3
103.05495	1.9
105.07030	37.4
107.04939	5.3
107.08594	23.0
109.06506	2.7
109.10152	16.7
111.08062	1.8
117.07014	10.0
119.04901	2.0
119.08588	21.5
121.06493	2.9
121.10156	13.5
123.04478	1.2
123.11708	2.9
129.06963	3.2
131.08574	35.3
133.10127	13.9
134.10890	1.5
135.08057	3.7
135.11678	4.7
137.05984	4.0
137.09502	1.5
137.13246	2.0
139.07521	4.0
143.08549	4.1
145.09044	2.7
145.10118	35.3
146.07239	1.5
147.08087	2.5
147.11691	10.2
149.05994	2.2
149.09660	2.7
149.13260	4.2
151.07549	3.9
155.08556	6.7
156.09309	1.4
157.10127	3.1
158.10841	1.4
159.08051	5.7
159.11693	23.2
161.13222	14.6
163.07567	2.1
169.04068	1.3
169.10114	3.0
171.11722	1.5
173.09601	3.8
173.13177	2.2
175.11165	1.8
177.05484	2.8
177.09102	10.6
177.16374	2.0
177.68034	1.3
182.10968	2.1
183.08118	1.8
187.11292	6.2
187.14824	100.0
188.15198	1.2
189.09052	2.0
189.16411	1.3
191.10657	3.8
191.14265	6.4
193.77145	1.2
197.13303	7.8
205.15887	5.5
215.10844	6.3
215.14319	29.9
233.04558	1.9
233.11928	5.9
233.15367	71.0
233.18834	11.4
233.22556	16.7
234.15742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
50.36996	0.3
51.36938	0.3
53.03945	0.6
55.01871	3.8
55.05534	0.3
57.03437	0.9
58.19285	0.3
64.74094	0.3
65.03944	1.2
67.05501	3.1
69.03427	0.6
69.07066	26.1
70.88755	0.5
70.89099	0.7
79.05495	12.5
81.07067	0.9
83.04987	0.4
91.05478	37.5
92.05804	0.4
95.04955	1.4
97.06528	66.5
105.07038	0.5
107.04943	1.3
107.80294	0.3
109.06516	2.1
119.04940	20.1
121.06503	1.2
123.04453	0.4
133.06473	0.5
135.04422	1.4
136.05148	1.9
137.05972	100.0
138.06308	1.0
147.04410	3.5
149.05972	2.0
163.03877	2.1
173.06023	0.8
177.83362	0.3
186.06737	0.4
187.07591	0.4
187.11208	0.4
189.09116	3.8
215.10690	1.6
233.11708	19.8
233.15303	0.5
238.52267	0.3
240.98766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03947	0.9
55.01876	4.7
55.05520	0.4
56.37856	0.3
57.03433	1.5
60.37373	0.3
61.80394	0.3
65.03937	0.3
67.05509	2.7
69.03433	1.5
69.07072	14.4
69.07456	0.8
70.65565	1.0
71.04986	0.4
76.03505	0.3
79.05498	14.9
81.07079	1.2
83.74716	0.4
91.05486	20.7
91.90391	0.4
93.07034	0.8
94.04012	0.3
95.04968	1.7
97.06537	100.0
98.06869	0.6
98.97583	1.4
101.34800	0.3
105.04511	0.3
105.07031	1.6
107.04968	1.5
107.08578	0.5
109.06533	1.0
115.05421	0.4
116.98663	0.6
117.07011	0.7
119.04951	10.9
119.08601	0.8
121.06513	1.1
121.10207	0.5
123.00574	0.4
123.08036	0.4
129.06989	0.4
131.04919	0.8
131.08582	0.8
133.06493	1.2
135.04402	1.9
137.05986	58.3
138.06349	0.5
141.07018	0.5
143.08488	0.6
145.06532	0.6
145.10127	1.6
147.04420	5.8
149.05966	1.7
154.07823	0.5
158.99692	0.7
159.08052	0.6
159.11714	1.1
161.09604	0.5
163.07564	0.6
163.11209	2.2
169.06506	0.5
169.10149	1.2
173.05994	0.5
173.09702	2.5
177.00719	0.7
186.06717	0.6
187.11218	1.0
189.09109	9.1
191.07013	0.5
191.10693	1.0
197.09677	0.7
205.12178	1.0
215.07101	0.6
215.10689	5.1
215.14113	0.5
233.11736	41.9
233.15456	1.1
234.12085	0.7
235.43079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.14084	0.3
53.03944	0.4
55.01873	2.4
62.53657	0.3
65.03943	1.2
67.05520	1.9
69.03427	0.5
69.07070	30.4
71.04610	0.7
71.04992	0.7
79.05497	6.3
81.07041	1.2
83.04971	0.6
91.05485	28.0
92.05832	0.4
95.04957	0.7
95.08630	0.4
97.06536	25.7
99.54896	0.4
105.07034	0.8
107.04964	1.0
107.08586	0.5
109.06528	1.5
119.04955	15.3
119.08591	0.7
121.06551	0.4
123.04436	0.4
131.08562	0.5
133.06490	0.4
135.04424	1.0
135.08043	0.4
136.05222	2.3
137.05981	100.0
138.06346	0.9
142.46645	0.3
143.08632	0.4
145.06471	0.4
145.10117	0.8
149.06000	1.3
155.08553	0.8
159.08170	0.3
159.11714	0.4
160.37656	0.4
163.03934	2.6
163.07533	0.6
173.05981	0.8
181.83064	0.3
183.08031	0.8
187.07455	0.4
187.11119	0.7
189.09160	0.5
191.03329	0.5
215.10710	2.9
215.89305	0.3
233.11728	15.1
233.15439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.45261	0.4
55.01844	0.8
56.96527	1.6
67.05465	0.8
68.23556	0.4
69.03397	0.5
69.07019	1.2
69.85589	2.1
79.05444	1.3
81.07029	0.8
83.04946	0.4
88.75322	0.4
91.05452	1.8
93.07030	0.7
95.04931	0.6
95.08544	0.6
97.06528	0.6
98.21410	0.6
98.97565	0.4
105.06994	0.5
106.19808	0.4
107.04871	0.5
107.08559	0.9
109.06497	0.5
109.10151	0.5
113.95338	0.4
115.05418	1.0
117.07030	0.6
119.08575	0.8
121.10136	0.6
128.06161	0.6
129.07014	2.5
131.00151	0.6
131.04944	0.5
131.08508	1.0
133.10149	0.7
137.05991	6.3
141.06917	0.6
145.06407	1.2
145.10098	1.1
149.01256	0.6
153.07007	6.0
153.08229	0.7
154.07761	2.2
155.08553	48.2
156.08879	0.7
157.06450	0.9
157.10193	0.6
160.05151	1.1
161.06032	0.6
165.06958	4.8
171.07996	0.7
172.05090	0.6
172.08783	1.2
173.06039	0.6
174.06789	3.9
175.07555	8.8
175.11263	0.5
181.06470	0.8
183.08057	34.2
184.08748	2.2
187.07562	6.5
187.11253	0.6
189.09106	14.3
191.10683	0.5
200.08315	5.7
201.09038	0.7
203.10014	0.6
212.10646	0.8
215.10670	100.0
216.10941	2.0
218.02106	1.2
233.04430	1.4
233.11725	25.9
233.15173	3.3
233.19118	0.7
234.12166	0.6
234.89008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
55.01874	1.1
55.05517	1.0
56.96563	4.5
57.07074	0.7
67.05489	1.1
69.07076	2.6
70.69336	2.4
78.66058	0.8
79.05508	2.3
81.03442	0.7
81.07068	1.5
91.05489	4.5
93.07066	1.4
95.04980	0.9
95.08616	0.7
97.06546	2.5
105.07066	2.4
107.04977	1.7
107.08617	1.4
115.05488	2.5
117.07019	1.8
118.72259	0.6
119.08598	2.4
121.06481	1.1
125.09763	0.7
128.06241	1.2
129.07028	2.8
131.08566	2.0
133.10133	2.1
135.08017	0.8
137.05981	7.6
141.07011	1.4
144.05692	0.7
145.06467	1.2
145.10139	2.5
147.08052	0.8
149.01256	1.6
153.06970	5.9
154.07770	1.1
155.08565	51.3
157.06419	0.8
157.10144	0.8
159.04469	0.7
159.08081	1.4
159.11711	2.1
160.05254	1.3
165.07014	5.0
167.02298	1.1
172.05138	0.9
172.08827	1.7
173.13246	1.9
174.06796	3.2
175.07555	9.4
175.11276	1.2
177.09100	0.8
181.06514	1.5
182.05846	0.7
183.08070	34.7
184.08836	1.8
187.07495	7.3
187.11082	1.1
187.14854	2.1
189.09122	15.1
190.02785	0.9
190.53186	2.1
191.03450	1.1
197.13351	0.8
199.03392	2.6
200.08334	5.7
200.52744	0.9
208.03880	1.8
209.55164	1.2
210.54178	1.5
212.10678	2.0
215.10689	100.0
216.11040	1.9
218.02130	7.1
223.61502	0.8
233.04349	6.7
233.08063	1.8
233.11737	28.0
233.15263	7.7
233.19023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.05526	0.4
56.96566	1.4
57.03429	1.2
57.07085	0.4
58.06617	0.5
59.06110	0.4
60.08164	8.7
69.03434	1.8
70.02438	2.1
70.06593	0.6
71.04993	2.7
72.08160	1.1
73.02921	0.6
73.08480	0.5
73.24392	0.4
79.05497	0.9
81.03396	0.4
81.07071	0.9
82.07385	0.4
84.08138	0.9
85.02907	100.0
86.03253	0.7
86.09702	0.8
87.10055	0.6
87.76501	0.4
90.94866	0.5
91.05503	0.6
95.04985	0.4
96.28646	0.4
97.02898	1.1
98.97572	1.9
99.04461	0.6
107.04974	0.4
109.02864	0.6
109.06467	0.5
115.55963	0.5
116.98643	1.4
119.01868	0.5
121.06494	0.5
127.03923	0.5
128.98643	0.8
129.06975	0.8
131.08574	0.7
132.08958	0.5
134.07137	0.4
134.99683	1.0
137.06070	1.0
141.07037	0.5
144.08925	1.2
144.10239	1.9
145.06508	0.5
145.10085	0.6
146.10504	0.5
146.99612	0.6
147.04436	0.6
150.96867	0.5
157.09958	0.5
158.10483	1.2
161.05943	0.5
161.09631	0.5
169.06499	0.7
169.10149	1.0
170.11804	0.7
171.11186	0.5
173.08105	10.8
174.09912	0.5
174.12813	0.4
177.00714	1.0
182.03316	0.5
186.06787	0.8
186.13649	1.7
189.00768	0.9
190.98732	0.5
191.03792	0.6
197.09654	1.1
203.10696	0.5
214.12991	0.7
215.10725	3.4
232.13499	3.5
232.15466	29.3
233.15582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01876	3.2
55.05501	5.5
56.05017	2.3
56.96556	6.2
57.03408	1.7
61.02910	1.3
67.05494	5.4
69.03429	17.6
69.07059	3.4
69.81681	8.8
70.06600	7.5
70.06905	1.5
71.04992	3.8
72.08152	4.6
74.06068	1.6
77.00878	1.4
79.05500	6.6
80.05006	1.9
81.03409	10.5
81.07053	13.6
84.04511	3.5
84.08145	8.5
85.01398	1.4
85.02908	11.2
85.06567	1.6
86.09709	8.5
87.00831	3.7
88.03967	2.6
91.05476	12.5
93.07030	6.0
95.04973	4.2
95.08598	9.4
97.02890	6.0
97.06514	1.5
98.97560	3.7
99.04451	5.2
101.00870	8.1
103.02463	16.4
103.05458	2.6
105.00372	2.3
105.07021	17.0
107.08600	5.0
109.02876	4.5
110.66284	1.2
112.07616	2.3
115.05452	2.4
116.07052	1.9
116.98606	3.8
117.03996	4.9
117.07012	7.5
119.01922	60.8
119.04939	1.6
119.08591	10.5
121.01644	1.5
121.03513	15.1
121.06510	3.5
121.10146	3.2
123.04423	2.8
127.03920	5.5
128.06204	6.8
128.07050	1.6
129.00337	2.5
129.07004	12.6
129.10231	2.9
130.08682	1.7
130.74895	1.3
131.01903	6.0
131.08582	15.7
133.03455	6.3
133.06558	1.6
133.10094	4.4
134.99628	3.3
135.05013	5.3
137.02977	28.9
137.04019	3.3
137.05956	4.8
142.03473	3.1
142.07748	5.6
143.01855	1.8
143.08568	25.7
144.09259	1.9
145.03473	39.9
145.06512	2.7
145.10121	21.1
146.10870	1.8
147.01401	18.9
147.08055	3.2
147.11662	2.1
149.02934	2.6
149.05971	1.7
151.04541	2.6
151.07481	3.2
155.08521	2.8
156.09320	3.6
157.06441	2.5
157.10130	17.3
159.08023	3.4
159.11678	11.5
160.04578	2.9
160.08890	1.4
161.02966	15.8
161.05946	3.4
161.09650	3.8
161.13269	2.0
163.03041	2.2
163.04558	29.6
165.02431	12.2
165.07121	1.4
168.05078	3.3
169.10068	3.3
170.10942	2.6
171.01434	12.1
171.07982	5.2
171.11650	6.0
172.09689	2.0
173.02956	3.9
173.09622	6.3
175.07567	11.1
175.11118	3.1
179.04062	5.2
183.03549	3.1
183.11720	1.8
185.02980	2.2
185.09647	4.5
185.13261	45.6
187.04520	3.6
187.14746	2.0
189.02446	100.0
189.09109	6.6
189.12758	5.3
192.59393	3.2
195.11678	6.0
202.08022	1.6
203.10693	4.9
203.14346	8.5
207.03499	28.6
212.04048	8.2
213.05711	1.5
213.12723	11.7
231.03445	34.0
231.06595	1.7
231.10249	2.1
231.12053	2.7
231.13824	52.9
249.04567	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	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	4.7
56.96561	2.7
57.03448	3.4
60.20686	2.1
67.05482	2.7
68.05037	3.0
69.03423	3.0
69.98366	7.3
70.02953	4.2
70.06591	83.3
71.05014	3.4
72.08162	7.1
76.04026	2.2
81.03402	3.4
81.07034	3.1
83.06095	3.2
84.04508	17.7
84.08148	15.7
85.02920	7.1
85.06554	3.0
86.06076	3.3
86.09725	5.6
88.03991	45.2
91.05469	3.4
94.02879	2.7
98.06073	2.7
98.97574	2.4
101.00859	3.6
102.05544	2.6
103.00614	2.4
105.07019	4.8
110.02431	2.1
110.06041	2.9
111.05564	18.1
112.07565	2.8
114.05537	7.4
114.09167	2.9
115.08668	2.5
116.07092	100.0
117.06989	2.3
119.01941	19.0
121.01654	13.0
125.07112	21.0
126.05582	3.9
129.10246	6.0
130.04987	11.7
130.08737	2.9
131.01912	6.5
131.08586	5.3
133.03502	5.5
133.10149	2.6
137.02975	4.0
137.06035	2.4
139.02737	4.4
140.07068	3.4
142.05008	4.3
142.07730	2.4
143.01767	2.3
143.08583	6.3
145.03487	3.6
145.10112	7.0
146.99579	3.6
150.05522	3.1
157.03494	2.9
157.10066	6.9
159.05052	2.5
159.07684	10.0
159.11623	3.0
161.03017	5.7
165.07156	2.1
170.10896	2.1
170.99486	3.6
171.07649	27.4
179.03996	2.6
185.02844	3.8
185.09322	4.5
185.13185	13.0
187.10861	2.4
188.05495	4.7
189.02391	15.0
195.07663	4.0
196.06044	63.4
198.77219	2.3
199.02179	4.2
202.07103	5.5
203.04057	3.4
203.10732	2.8
208.04510	3.4
213.08742	19.0
213.12325	25.2
214.07097	3.9
217.00040	3.9
231.04883	37.8
231.07094	5.6
231.09779	36.8
231.13496	19.9
231.15942	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	230.1176
Annotation	Trietazine
Peak:m/z	Relative Intensity
55.01879	0.5
55.05504	0.5
56.96552	1.2
57.07042	0.6
58.35019	0.3
67.05492	0.6
69.03431	2.6
69.07055	1.0
70.06577	1.1
71.58723	0.4
71.59097	0.5
72.08144	0.7
79.05499	0.5
80.68510	0.3
81.03420	1.2
81.07059	0.8
83.04957	0.3
84.08142	0.9
85.02896	2.3
85.06508	0.4
86.06044	1.2
86.09702	1.3
89.03918	0.6
91.05459	1.2
93.07050	0.7
95.04970	0.6
95.08616	0.6
97.02891	1.5
98.06062	1.2
98.97579	1.2
99.04525	0.6
102.65399	0.3
105.07023	0.7
107.04965	0.6
107.08587	0.5
109.02873	0.5
110.06038	0.5
116.98613	0.9
117.03397	0.6
117.05727	0.4
117.06997	0.8
119.04930	0.4
119.08601	0.4
121.06477	0.5
127.03903	1.0
129.06998	0.9
129.10234	0.4
130.06529	14.0
131.07335	3.2
131.08525	0.4
132.08087	0.9
133.07884	0.3
134.99638	1.4
135.04407	1.7
137.05994	0.5
143.00189	0.6
143.07426	0.4
143.08546	1.0
144.05685	0.4
144.08092	4.7
145.03537	0.9
145.08861	7.0
145.10112	1.5
146.05989	0.4
146.09633	0.9
147.04393	2.4
147.08043	0.5
154.06561	0.7
155.07286	0.6
157.10139	0.6
158.06021	1.8
158.07251	0.5
158.09648	6.0
159.10455	8.3
159.11633	0.5
160.07581	0.5
160.11205	1.4
161.01190	1.0
163.03902	5.2
168.08115	0.6
169.00188	0.4
169.03487	1.4
169.08810	0.8
170.09659	0.6
172.07576	3.7
173.08357	11.6
173.09665	1.6
174.09109	2.5
174.12738	2.0
177.00703	0.9
183.06792	0.8
184.11252	1.9
185.01251	0.4
185.09579	0.6
185.13278	0.9
186.09178	0.8
186.14951	0.7
187.04579	2.0
187.09929	4.7
188.10710	0.6
189.09154	0.5
194.08189	0.5
197.08397	1.1
198.05972	0.3
200.07034	1.2
201.07825	6.6
201.09525	0.4
202.12273	37.5
203.12599	0.4
210.06224	0.6
212.09027	0.5
212.10738	1.2
219.01814	0.4
230.11775	100.0
231.02922	0.4
231.10083	0.5
231.12036	0.9
231.13985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1177
Annotation	Trietazine
Peak:m/z	Relative Intensity
56.05046	0.7
56.96565	4.1
57.03428	0.9
64.01483	0.6
67.05506	1.0
69.03420	3.9
70.06587	1.6
71.04982	0.6
71.57433	1.0
72.08154	0.8
74.06063	0.7
79.05521	0.7
81.03422	1.3
81.07043	1.1
82.06578	1.0
84.04523	0.7
84.08142	2.4
85.02895	2.1
86.06054	1.2
86.09700	1.9
87.04449	0.8
91.05483	1.5
94.06593	0.6
97.02893	1.1
97.06538	0.7
97.39182	0.5
97.99158	0.6
98.06061	1.5
98.97586	1.9
100.07606	0.7
105.07010	1.2
109.02888	0.6
110.06043	0.7
116.98608	2.1
119.04948	1.0
120.08906	0.8
129.07028	0.7
129.10226	1.3
130.06526	3.4
131.08466	0.7
134.01263	0.5
134.99637	2.9
136.05188	0.9
137.05977	1.1
143.00203	0.8
143.08516	0.9
144.08083	1.0
145.08868	1.8
145.10042	1.1
146.99669	0.7
147.04425	2.1
150.96899	0.6
156.08122	1.1
157.10167	1.2
158.09705	1.0
159.10434	1.4
161.01268	1.1
163.03929	1.2
166.04974	0.7
173.08356	3.1
174.09123	0.7
174.25496	0.7
177.00731	0.9
184.07603	2.5
184.09657	0.8
184.11201	1.5
185.13232	1.7
187.09944	0.7
200.07120	1.9
201.07855	46.9
202.08646	12.8
202.12302	7.9
212.09142	1.1
212.10890	1.3
219.47168	0.7
230.11771	100.0
231.13971	1.0
245.08191	0.9
253.52739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
58.06600	4.6
58.55350	0.3
59.07376	1.0
60.08173	5.7
61.02930	0.5
68.05008	0.6
69.52994	0.8
69.53402	1.8
70.06595	28.9
72.08144	0.8
73.02889	0.4
78.20880	0.3
84.08143	0.4
85.02908	0.5
86.06096	0.3
86.09688	1.2
96.08120	0.9
98.06061	0.7
101.00849	0.7
114.05522	3.0
114.06688	0.5
114.09161	1.5
116.07089	2.7
119.01930	3.7
124.07575	2.5
133.03473	0.6
137.02940	1.0
142.03490	0.4
142.08640	26.0
143.01920	0.4
148.04736	0.8
161.03000	0.5
161.20845	0.3
165.05293	0.4
168.99867	0.5
170.08156	1.6
175.04550	0.6
183.07695	0.8
183.11307	0.7
183.14928	1.6
187.00903	1.1
200.35583	0.3
205.98766	0.8
215.00397	1.3
229.15480	100.0
230.11719	0.5
230.15833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.64632	0.4
52.31235	0.4
55.01867	1.1
55.05510	0.6
56.05024	0.7
56.96558	2.0
57.03438	0.9
57.07067	0.7
58.06600	5.1
59.07389	0.9
60.04512	0.5
60.07930	0.5
60.08168	5.8
61.02925	0.9
67.05485	1.4
68.05016	1.7
69.03420	0.9
69.07066	0.6
70.06593	31.8
70.98394	0.9
71.04974	0.4
72.08150	2.2
73.02911	0.8
77.87421	0.4
79.05476	1.1
81.03400	0.9
81.07041	1.0
82.06572	0.8
83.06099	0.7
84.04494	1.3
84.08137	2.5
85.02896	1.3
85.04004	0.5
86.09703	1.4
88.03993	0.4
89.03920	0.4
91.05473	1.6
93.07021	0.7
95.04964	0.8
95.06086	1.4
96.04510	0.5
96.06422	0.6
96.08120	1.0
96.90870	0.4
97.02884	1.2
97.06543	0.5
98.06039	1.3
98.97563	1.2
99.00825	0.6
99.04424	0.5
100.07605	0.5
101.00871	0.6
105.03428	0.5
107.04993	0.9
108.04450	0.5
109.07664	0.5
109.10132	1.1
110.07161	0.5
111.04410	0.5
112.08758	0.5
113.71540	0.4
114.05514	3.6
114.09176	1.5
115.96383	0.5
116.00241	0.8
116.07086	1.8
116.98634	0.8
117.10168	0.4
118.03469	0.5
119.01921	3.5
119.02643	0.7
119.08489	0.5
120.02045	0.6
120.08114	0.4
121.95687	0.3
122.05959	0.5
123.04449	0.5
124.07590	3.3
125.02629	0.8
126.09199	0.4
127.03880	0.6
128.07047	0.5
129.07065	0.4
131.01839	0.6
133.03430	0.6
134.02992	0.7
134.05975	0.6
134.99637	1.2
135.04353	0.4
136.07605	0.5
137.02945	1.7
137.05959	1.7
140.07065	0.6
142.08635	26.1
143.08601	0.4
145.03461	0.5
145.06476	0.5
148.07571	0.6
149.02982	0.5
150.96899	0.4
152.07091	0.9
161.02983	1.0
163.03859	1.0
163.97694	0.8
164.06981	0.5
168.51938	0.5
170.08153	1.7
176.06995	0.6
177.02277	0.7
180.02736	0.4
183.11482	0.7
183.14946	3.9
184.04567	0.5
187.00935	0.6
193.55275	0.4
194.08099	0.8
205.98711	2.1
211.10831	1.3
223.01212	0.4
229.12267	2.5
229.15472	100.0
230.11780	1.1
230.15773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.49915	0.8
53.24091	0.9
55.05506	7.0
57.03437	19.7
57.07058	2.1
57.34834	0.9
58.46861	0.8
59.04988	5.0
64.09550	1.0
65.03931	1.2
67.05503	100.0
69.07053	1.5
69.90815	3.2
69.91228	2.1
71.04970	3.5
79.05493	1.1
80.11829	0.8
81.06663	1.0
81.07059	13.1
83.08613	6.8
85.06509	3.3
86.56590	0.8
86.81622	1.0
87.04383	1.0
91.05480	4.6
93.07008	3.6
95.08598	5.5
105.07057	0.9
107.08575	1.7
109.10155	86.5
110.10441	1.8
111.08038	3.8
119.08576	6.4
123.10798	0.8
127.28640	0.9
137.09616	4.5
145.10132	1.1
146.46855	0.9
155.10730	5.2
173.11740	34.3
184.63374	0.8
229.12401	1.8
229.14307	42.0
229.23462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Herbarumin I
Peak:m/z	Relative Intensity
51.38155	0.6
52.08633	0.6
53.03947	0.7
55.01868	1.1
55.05510	9.8
56.96568	1.9
57.03436	18.8
57.07081	2.5
59.05008	5.8
60.51195	0.5
65.03934	1.5
67.05505	100.0
68.05843	0.6
69.03439	1.4
69.07070	4.0
70.06591	2.3
71.04980	4.7
71.57941	1.0
71.58325	0.8
79.05491	2.8
81.03419	1.7
81.07057	15.3
83.04996	0.7
83.06071	0.6
83.08616	8.3
85.02928	0.5
85.06541	3.3
86.21195	0.6
91.05486	7.9
93.07050	6.3
95.04967	2.1
95.08604	8.0
97.02913	0.7
97.06536	1.0
99.00798	1.3
99.04436	1.2
99.08086	0.9
103.03958	1.5
105.07048	1.7
107.08598	3.5
109.02871	1.4
109.06538	0.9
109.10156	92.1
111.08089	4.7
113.02355	0.6
114.01525	1.0
119.01888	0.7
119.08570	7.5
121.06514	0.9
121.10135	1.2
125.09625	1.3
127.03924	1.8
129.06953	0.7
131.08595	0.8
133.10138	1.5
137.09634	4.9
141.06969	1.0
142.07761	0.7
143.08513	1.1
145.10101	1.2
149.02364	0.8
153.06937	0.6
155.08549	1.4
155.10641	4.8
157.10146	0.7
159.08060	1.5
159.11684	0.7
167.61583	0.6
169.10023	0.7
170.78369	0.6
173.11748	35.5
183.07991	1.4
187.11238	0.8
193.05080	0.8
193.12227	0.7
197.05849	0.6
201.12737	1.7
211.07484	0.8
211.11177	1.4
211.13223	1.4
211.15079	0.6
211.16872	0.7
229.04991	1.2
229.08577	2.6
229.12267	4.1
229.14301	43.9
229.23349	1.0
230.11778	2.2
230.14615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05510	12.1
56.96559	2.5
57.03182	1.4
57.03436	19.0
57.07062	1.6
59.04984	4.6
65.03926	1.6
67.05505	100.0
68.05840	2.6
69.03428	2.1
69.07050	4.5
70.06581	1.4
71.04984	5.5
71.59053	1.8
79.05478	3.6
81.03412	3.2
81.06650	1.2
81.07063	20.3
82.07376	2.2
83.08620	8.8
85.02891	1.6
85.06519	3.2
91.05495	8.0
93.07030	4.5
95.04972	2.6
95.08613	13.0
96.08920	6.2
97.10148	1.2
98.06043	1.4
98.10489	1.4
99.04414	2.2
103.03975	1.1
105.07010	1.9
107.08579	1.8
109.02867	2.5
109.06561	1.4
109.10157	95.8
110.10452	3.3
111.08053	3.8
117.07010	1.4
119.08580	9.7
127.03886	4.5
130.02907	1.2
131.08533	2.3
133.10107	2.2
134.10445	1.8
137.09566	5.1
141.06900	1.2
145.10110	1.8
147.11703	2.1
151.88936	1.0
155.08557	1.4
155.10663	3.6
159.08043	1.4
159.11638	1.4
163.18739	1.1
173.09564	2.4
173.11754	30.1
173.13155	1.7
176.15108	2.9
183.11668	1.6
187.11081	1.4
194.16165	1.3
229.08588	3.7
229.12267	4.8
229.14297	47.8
229.19569	3.8
229.23473	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	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03936	9.5
54.74551	4.2
55.05519	22.0
56.96569	10.4
57.03432	15.2
57.07085	9.7
60.63618	4.9
67.05225	4.7
67.05514	51.3
69.03426	10.6
69.07075	10.9
70.06570	5.0
70.71845	8.6
70.72191	12.0
71.04995	10.4
79.05491	11.6
81.03423	89.2
81.07065	31.7
83.04981	18.4
83.08620	16.2
85.02907	9.0
85.06532	5.9
85.21853	4.1
91.05492	19.9
93.07045	15.8
95.04976	17.0
95.08610	17.4
97.02932	9.0
97.10182	5.5
98.97588	6.3
99.04462	24.9
105.07031	20.0
107.04961	8.9
107.08610	12.1
109.02879	26.0
109.06553	5.4
109.10174	43.6
111.08107	10.5
116.98652	4.8
117.01852	5.2
117.07057	7.6
119.08567	15.4
121.06523	5.1
121.10133	7.2
123.08112	5.7
127.03932	100.0
129.07063	13.4
131.08568	8.3
133.10153	9.2
134.01303	4.8
134.18306	5.0
135.11847	5.2
137.09621	6.7
141.07004	7.4
143.08578	6.7
145.10121	12.5
147.11699	10.4
149.09685	5.6
155.08549	5.4
157.10184	14.4
159.07997	6.9
159.11687	10.1
173.05978	7.0
173.09575	7.9
173.11835	10.4
173.13278	9.4
175.11290	17.4
183.11729	12.4
187.11232	6.5
193.12271	44.5
201.12862	6.4
211.07539	5.7
211.11263	8.0
211.13200	46.3
211.14989	5.9
229.04921	7.9
229.08904	8.3
229.12288	31.5
229.14067	7.3
229.16080	22.9
229.19531	15.2
229.23590	9.4
230.11856	9.1
231.76334	4.6
247.08521	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07749	2.4
54.58277	2.0
55.01877	2.0
55.05499	9.7
57.03443	15.6
57.07076	5.9
58.15216	2.1
59.05004	3.7
62.81586	2.1
65.03921	2.2
65.38301	1.8
67.05506	100.0
69.03403	3.9
69.07058	4.2
71.04991	4.4
71.59890	3.9
79.05518	3.0
81.03391	4.1
81.07056	14.3
83.08614	8.9
85.02898	3.6
85.06510	2.2
91.05464	7.9
93.07025	7.1
95.08627	12.1
99.00810	5.8
105.06998	2.9
107.08599	3.1
107.59315	2.2
109.02850	2.1
109.10162	76.2
111.08072	4.8
114.23307	2.1
119.08584	16.0
127.03914	3.4
131.08580	2.4
132.24748	1.9
134.00163	2.3
137.09630	11.0
137.79370	2.1
155.10670	6.4
159.11707	2.4
173.09598	2.6
173.10106	2.1
173.11763	34.9
173.13185	4.8
183.11606	2.1
187.11232	3.2
211.14717	2.1
229.08626	3.7
229.12254	6.4
229.14270	47.6
229.16193	3.7
229.19511	6.7
229.23407	4.1
229.27251	2.4
230.12111	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	229.1435
Annotation	Herbarumin I
Peak:m/z	Relative Intensity
55.05512	7.6
57.03153	1.0
57.03438	18.4
57.07077	1.8
59.05003	5.1
62.86807	0.7
65.03949	1.1
67.05508	100.0
69.03432	0.9
69.07073	2.2
69.90686	3.3
70.06589	0.8
71.05004	4.0
79.05486	1.2
81.07057	13.9
83.08629	5.7
85.06547	2.8
87.04443	0.9
91.05492	5.6
93.07042	2.6
95.08609	5.8
98.21523	1.5
107.08578	1.8
109.10161	93.2
110.10474	1.2
111.08086	2.3
117.07007	0.8
119.08588	7.8
123.20501	0.8
129.06998	0.7
133.09784	0.7
137.09589	4.5
141.52473	0.8
155.10683	4.9
173.11749	42.2
229.14316	50.5
229.27101	1.4
230.14639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03939	2.2
55.01868	3.8
55.05514	12.9
56.96552	4.0
57.03431	6.8
57.07070	4.5
59.04997	3.2
65.03932	1.6
67.05504	13.4
69.03427	5.8
69.07072	15.6
70.15727	7.7
71.04993	24.6
73.06551	2.4
75.42882	2.0
79.05487	10.7
81.03426	3.2
81.07059	22.9
83.04980	6.1
83.08617	8.5
85.02924	2.1
85.06538	7.0
91.05475	13.1
93.07037	30.8
95.04967	100.0
95.08602	23.5
97.02891	3.0
97.06538	21.7
97.10168	3.9
98.20782	1.7
98.97611	2.3
99.04456	26.6
99.08089	28.9
100.11254	10.9
105.07027	13.7
106.77859	2.1
107.04955	5.5
107.08590	33.5
109.06506	19.0
109.10172	13.1
111.08092	6.8
113.09619	3.7
115.07597	9.0
117.07013	4.0
119.01919	5.0
119.08572	11.7
121.06503	5.1
121.10131	27.0
123.08040	2.8
123.11721	10.5
125.09605	9.4
127.07569	17.6
131.08578	9.4
133.10118	38.8
135.08032	9.3
135.11674	17.6
136.47159	1.7
137.05992	4.8
137.09630	5.4
139.11179	13.4
143.01932	6.7
143.08449	2.4
143.10696	3.4
145.10164	12.2
147.11708	10.5
149.09663	3.2
149.13254	10.5
151.11194	5.7
153.09108	36.7
158.10872	3.7
161.02966	11.1
162.03065	2.1
163.11174	19.8
163.14827	7.9
167.06961	2.8
171.10135	10.0
173.13266	26.6
177.00734	2.1
180.56522	3.1
181.12201	4.8
183.13760	2.1
191.10603	1.7
191.14290	15.1
206.09831	2.1
209.11804	4.8
209.15269	18.6
227.06906	1.9
227.10542	3.4
227.12823	24.8
227.16302	54.5
245.73924	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.37654	1.1
53.03932	2.6
55.01859	2.2
55.05507	8.8
57.03420	5.4
57.07055	3.7
59.04989	5.7
61.02944	1.2
65.03898	1.5
67.05512	7.2
69.03416	2.1
69.07066	11.4
70.85962	2.7
71.04990	22.0
73.06545	1.5
75.04478	1.3
79.05490	11.4
81.03409	2.3
81.07054	17.0
83.04958	4.8
83.08636	7.4
85.06525	5.2
86.09669	1.2
86.28552	1.3
91.05492	8.1
93.06477	1.5
93.07043	26.0
95.04970	100.0
95.08070	1.6
95.08619	19.9
97.02895	1.4
97.06532	25.8
97.10143	4.1
98.97566	1.9
99.03925	1.4
99.04459	17.6
99.07483	2.7
99.08092	36.7
100.11237	5.0
105.07056	11.9
107.04951	2.4
107.08598	28.1
109.06509	21.9
109.10158	13.8
111.08094	6.8
113.06012	1.8
113.09619	3.4
115.07546	8.2
119.01885	3.8
119.08570	12.1
121.06509	1.2
121.09320	2.2
121.10150	25.7
123.08043	4.0
123.11698	8.1
125.09644	8.6
125.10394	1.5
127.06631	1.7
127.07549	18.3
128.07883	1.4
131.08566	8.3
133.10132	35.7
135.08031	5.7
135.11687	12.4
137.05960	3.2
137.09621	3.6
139.07507	2.0
139.11197	13.8
143.01898	7.2
143.08545	1.9
143.10606	3.7
145.10107	7.6
147.11678	12.6
149.09602	2.6
149.13260	10.8
151.11168	5.4
153.09106	33.0
153.12714	1.3
158.10922	3.0
161.02956	9.1
163.11176	9.7
163.14825	7.7
165.12720	2.5
167.07036	3.0
167.14334	1.5
171.10164	10.5
172.08647	1.5
173.13257	23.7
175.50412	1.6
180.56557	1.4
181.12158	2.0
191.14311	17.7
204.65576	1.3
208.20728	1.5
209.08022	1.5
209.11720	2.0
209.15305	19.9
227.06924	1.6
227.12880	13.2
227.16383	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01876	4.6
55.05512	19.3
55.33257	2.9
57.03429	11.4
57.07072	6.2
67.05508	80.4
69.07063	31.7
70.07417	4.0
71.04984	15.8
71.58817	4.8
79.05495	35.9
81.03447	3.1
81.07062	100.0
83.04984	8.8
83.08617	16.4
84.08173	3.4
85.06545	8.0
91.05468	21.6
93.07046	64.8
95.04978	7.7
95.08618	33.0
97.06535	14.1
97.10161	10.7
99.08086	6.5
100.11257	13.2
104.60248	3.3
105.07035	12.8
107.08597	39.8
109.06522	6.9
109.10123	7.5
111.08082	9.9
117.07021	11.2
119.08591	5.3
121.10130	23.1
123.08102	5.5
125.09615	6.7
131.08585	17.0
133.10127	14.4
135.08078	4.9
135.11700	26.5
139.11151	4.7
145.10133	4.9
147.11714	4.0
149.13261	58.3
151.11220	4.0
159.11694	29.0
163.11197	4.9
167.07066	5.1
171.11670	3.2
177.12808	16.2
195.13783	28.0
213.14830	4.3
223.84575	2.9
227.10678	5.0
227.12785	10.4
227.17911	9.7
227.22006	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.58515	1.6
53.03936	2.4
55.01874	7.5
55.05514	18.7
56.96580	2.8
57.03437	5.4
57.07077	5.7
58.06595	1.7
59.04990	4.7
65.03935	6.2
67.05503	12.0
69.03436	6.7
69.07069	18.9
69.86645	8.7
70.06582	1.9
71.04987	13.4
73.02916	38.6
73.06527	1.5
79.05498	11.9
81.03413	2.2
81.07051	16.3
83.04968	8.5
83.08612	9.4
85.02915	8.2
85.06554	10.8
86.09710	6.6
87.04482	2.0
91.05477	14.5
93.07050	23.2
95.04362	3.4
95.04967	66.7
95.08613	20.4
97.02892	4.0
97.06535	16.1
97.10181	4.0
98.97626	3.7
98.98473	5.6
99.04462	11.4
99.08085	15.2
100.11260	42.6
103.05479	2.0
105.03373	1.8
105.07024	11.8
107.04961	3.8
107.08592	20.7
109.06505	13.8
109.10165	13.8
110.07235	1.8
110.09709	3.2
111.04460	4.5
111.08097	6.4
111.11674	1.6
113.09708	1.9
115.07570	9.8
116.98606	3.7
119.01893	2.1
119.08601	9.3
121.06522	6.8
121.10137	24.1
123.04433	9.2
123.08070	6.4
123.11694	8.8
125.02338	2.7
125.05993	3.6
125.09620	11.4
127.07552	7.5
129.06990	1.7
131.08521	9.3
131.97450	2.0
133.10136	20.3
134.99641	2.7
135.08080	7.8
135.11685	6.5
137.06012	7.1
137.09627	4.8
138.03131	1.9
139.07552	2.3
139.11166	8.0
140.04689	47.1
142.02618	1.9
143.01891	2.1
143.08624	1.6
143.10709	1.8
145.10121	5.7
147.11710	6.3
149.06009	2.2
149.09604	11.6
149.13277	9.1
151.11148	7.9
153.05463	2.1
153.09099	24.8
155.07030	64.6
155.10722	2.3
161.02994	6.4
163.11169	2.6
163.14833	5.3
165.12753	2.0
166.08598	3.1
167.07060	4.6
167.10712	9.8
171.06575	6.8
171.10223	11.6
173.08131	6.8
173.13275	12.7
177.00713	2.5
177.05513	2.5
177.09085	1.6
179.07028	2.9
179.14320	5.4
179.74858	1.9
180.56581	1.9
181.04962	100.0
181.08568	4.6
181.15810	1.5
191.10683	5.8
191.14272	11.2
195.05942	1.8
195.07886	1.8
197.15416	3.2
209.07942	20.1
209.11763	5.0
209.15193	22.1
209.56831	1.8
218.08064	2.4
227.05516	2.9
227.09012	26.5
227.12764	3.3
227.16240	50.3
228.23424	1.5
231.82193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.16708	2.9
53.03945	4.5
55.05508	28.6
56.96560	5.2
57.03451	3.5
57.07073	5.9
59.05004	4.9
65.08588	2.3
67.05497	9.3
69.03423	28.9
69.07067	23.4
69.25112	26.8
71.04993	8.3
72.90862	2.5
79.05494	17.9
81.07063	34.6
83.04975	18.0
83.08619	17.3
85.02889	4.8
85.06543	7.5
87.03984	2.1
87.04471	10.9
87.32546	2.0
91.05470	12.8
93.07044	47.2
95.04971	21.5
95.08598	23.2
95.87390	2.5
97.02889	4.4
97.05982	2.3
97.06521	11.6
97.10174	11.6
98.21460	5.2
98.97583	4.6
99.04476	9.5
99.08087	9.5
100.11259	22.9
103.05480	2.4
105.03387	30.6
105.07044	15.6
107.04942	3.3
107.08591	38.4
109.06518	11.6
109.10139	15.6
111.04494	3.6
111.08093	11.4
111.11703	4.4
116.98579	3.3
119.01949	5.6
119.08573	9.3
121.06544	4.1
121.10147	76.3
123.08080	10.9
123.11711	44.2
125.05973	3.2
125.09630	100.0
125.10554	4.9
127.07513	3.1
131.08565	7.2
133.10127	16.4
135.08040	8.5
135.11678	4.5
137.05978	6.3
137.09596	7.9
139.07518	4.4
139.11160	12.0
143.01886	3.5
145.10104	4.2
147.11736	11.8
149.09615	47.1
149.13208	13.3
151.11205	38.3
153.09106	25.4
161.03003	5.7
162.07039	2.4
163.07544	3.0
163.11234	3.7
163.14825	9.1
165.12801	4.7
167.07094	6.3
167.10669	72.9
173.13258	14.8
180.56593	3.3
186.99210	2.7
191.14275	26.1
206.09940	2.9
209.11781	4.6
209.15314	46.5
213.17801	2.6
215.03902	2.8
215.10326	3.6
218.08084	3.8
227.06859	2.4
227.12740	5.1
227.16211	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	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03935	1.0
55.05512	7.5
57.07053	2.4
57.85541	0.8
59.04982	3.2
61.96719	0.9
64.12742	1.1
67.05489	2.8
69.03430	28.0
69.07062	5.5
69.79562	3.2
69.79964	2.1
71.04976	1.5
79.05486	2.6
81.07054	4.8
83.04980	14.2
83.08619	5.9
85.06559	2.2
87.28677	0.8
91.05474	2.7
93.07042	5.9
95.04951	4.6
95.08615	6.2
96.01125	0.8
97.02873	1.1
97.06518	3.2
97.10166	5.0
98.21499	1.2
99.04459	1.6
99.08103	6.0
100.11247	3.2
105.03394	1.3
105.07027	2.6
107.07881	1.1
107.08595	20.3
109.06490	4.3
109.10167	8.8
110.06008	1.1
111.08073	4.8
113.05978	2.2
121.06490	1.6
121.10129	10.9
123.08070	1.6
123.11675	1.2
125.00076	0.9
125.06026	1.4
125.09627	100.0
126.44080	0.9
127.07560	0.8
131.08560	1.8
133.10138	4.3
135.08084	5.0
135.11670	2.7
137.09601	2.3
139.07524	2.1
139.11203	2.3
143.01857	1.6
145.10094	1.2
147.11656	1.9
149.09612	22.8
149.13257	6.0
151.11188	12.5
152.49161	0.8
153.09114	16.7
154.09819	1.5
161.02943	2.6
163.14821	7.3
165.12924	0.9
167.07187	1.0
167.10703	2.2
171.10249	1.4
173.13266	5.3
191.14311	15.2
194.18430	0.8
209.15359	36.3
227.16223	5.2
248.72035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01870	5.6
55.05511	7.9
56.96558	1.9
57.03435	3.6
57.07079	5.9
58.06601	0.8
59.05000	1.0
65.03926	3.4
67.05505	25.7
69.03433	3.7
69.07069	10.5
69.84306	1.1
69.84716	3.4
71.04593	0.9
71.04990	19.1
71.08637	0.9
73.02504	0.8
73.02917	16.1
77.03897	0.8
79.05491	26.0
81.03405	1.6
81.07062	19.5
82.04200	0.7
83.04980	7.7
83.08617	4.5
85.02901	1.9
85.06544	100.0
86.09685	1.6
87.04458	0.9
91.05482	15.2
93.03461	0.7
93.07047	22.2
95.04971	23.4
95.08596	6.5
97.02886	2.1
97.06534	7.2
97.10168	2.7
98.97582	1.4
99.04452	4.3
99.08095	8.7
100.11263	9.3
103.05482	1.5
105.04525	1.0
105.07034	18.4
107.04282	0.9
107.04960	10.3
107.08595	32.8
108.02065	0.6
109.02873	1.1
109.06522	8.0
109.10146	6.1
109.63107	0.6
110.03662	1.5
110.07125	0.8
110.83503	0.6
111.04436	13.6
111.08094	3.4
111.11780	0.7
115.07567	0.9
116.98579	1.0
117.07015	6.0
119.01918	3.6
119.04961	0.8
119.08575	17.8
121.06507	13.8
121.10142	27.3
123.04417	5.7
123.08080	4.9
123.11708	2.8
125.02333	0.7
125.05978	9.2
125.09638	4.6
127.03930	1.3
127.07570	1.8
128.06189	0.7
129.07002	5.9
129.09158	0.8
130.07811	1.3
131.01967	0.8
131.08571	58.2
133.06490	0.7
133.10120	10.2
134.99655	1.1
135.04390	0.7
135.08073	5.3
135.11691	6.6
137.03008	0.8
137.05989	4.4
137.09608	8.0
137.46863	0.7
139.03902	2.5
139.07558	1.7
139.11168	2.3
140.04692	19.5
141.05447	1.1
142.02597	1.3
143.01871	3.5
143.06973	1.0
143.08556	1.9
144.02034	0.7
145.06456	1.5
145.10123	25.2
147.08032	4.8
147.11679	3.5
149.05994	3.1
149.09624	58.8
149.13249	3.6
151.03917	1.6
151.06340	0.7
151.07497	0.9
151.11139	2.0
152.08160	0.9
153.05434	4.3
153.09113	8.2
153.12721	1.5
155.07036	29.6
155.08411	1.7
158.10890	1.4
161.02977	7.6
162.03015	0.8
163.07549	2.7
163.11182	21.9
163.14818	2.8
165.09120	9.5
165.12720	2.4
167.07054	5.1
167.10675	30.9
167.14267	0.8
171.06541	2.8
171.10132	1.8
173.08102	2.0
173.09627	7.0
173.13252	8.4
174.02496	1.2
177.05478	1.2
179.03560	0.7
179.10622	1.6
180.56516	0.8
181.04967	39.5
181.08504	2.0
181.10054	0.7
181.12238	1.1
183.03090	2.1
183.83777	0.7
184.04524	1.3
185.02734	0.7
191.10672	54.1
191.14259	7.5
197.01218	1.7
197.04800	0.7
197.11726	3.1
203.04034	1.2
203.54132	0.8
206.09772	1.2
209.08260	8.6
209.11725	56.6
209.15068	9.1
215.10258	4.6
215.60379	2.0
216.10376	1.1
218.08067	1.7
227.02393	0.8
227.05547	9.3
227.09129	11.6
227.12761	34.3
227.16089	10.6
227.19728	1.0
228.04803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.21081	3.8
52.38958	3.3
55.01859	14.5
55.05514	33.5
56.96556	4.2
57.03411	4.2
57.07056	5.8
63.33294	4.2
63.57403	3.8
66.00609	3.6
67.05497	28.3
69.03407	8.6
69.07072	23.9
69.45036	32.7
71.04989	9.9
79.05486	34.1
81.03406	10.6
81.07059	33.4
83.04974	17.7
83.08608	21.7
85.06509	5.0
91.05452	15.5
93.07053	40.6
95.04984	9.7
95.08596	41.2
97.02877	7.5
97.06509	12.4
97.10145	10.6
99.04443	10.1
99.08061	5.2
100.11246	36.4
105.07026	10.4
107.04946	11.0
107.08590	35.1
109.06499	7.8
109.10151	19.1
111.04418	7.7
111.08083	5.7
113.05984	5.3
117.06998	6.5
119.08564	11.7
121.06529	9.2
121.10135	18.1
123.08089	4.1
125.06015	6.5
125.09588	6.5
127.03934	4.8
131.08533	12.0
131.97417	4.7
133.10138	9.9
135.08040	6.9
135.11676	38.4
137.05981	11.7
139.07513	5.1
145.10097	30.0
149.09613	5.9
149.13211	4.7
151.11098	5.9
153.09096	5.0
153.12729	17.2
155.08498	4.5
157.10187	6.3
163.11168	60.4
167.07036	11.4
167.10623	5.5
167.14165	4.2
171.07964	4.7
180.56567	7.5
181.04991	4.2
181.12233	17.0
185.07112	10.1
185.13278	4.8
191.10681	7.8
209.11728	15.8
218.08089	6.7
227.07040	8.7
227.10631	10.9
227.12714	100.0
227.17680	17.8
227.20003	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03936	1.8
55.01870	5.8
55.05502	8.9
56.96550	2.7
57.03437	2.6
57.07073	7.0
65.03937	5.5
67.05176	1.9
67.05505	26.4
69.03423	3.4
69.07072	8.5
69.63591	7.6
71.04642	1.5
71.04993	18.3
73.02508	1.5
73.02917	26.8
79.05062	2.0
79.05495	27.7
81.03387	2.3
81.07056	15.8
81.19793	0.9
82.04200	2.2
83.04976	8.1
83.08601	3.6
85.02887	3.7
85.06541	100.0
86.09675	1.6
87.04460	1.3
91.05480	20.0
92.05788	1.1
93.03371	1.2
93.07042	24.3
95.04965	23.0
95.08607	8.1
97.02870	2.5
97.06523	7.8
97.10148	2.1
98.97565	1.6
99.04449	3.4
99.08092	6.5
100.11259	12.6
100.64567	1.1
103.05448	1.8
105.07024	20.3
106.69831	1.1
107.04967	12.3
107.08585	29.4
107.39418	1.0
109.06512	6.7
109.10157	5.0
110.03647	2.2
111.04436	14.5
111.08057	1.6
113.05980	1.1
115.07561	1.2
116.98598	1.8
117.07000	7.2
119.01966	2.3
119.08586	20.4
121.06514	14.4
121.10135	22.8
123.04424	9.0
123.08031	2.7
123.11713	1.9
125.06002	8.1
125.09608	4.4
127.03922	1.2
127.07513	1.4
129.06981	5.7
130.07800	2.3
131.08563	59.7
133.10138	6.2
135.08020	3.3
135.11662	6.9
137.05934	4.0
137.09607	8.2
138.03104	1.7
139.03882	1.6
139.07497	2.2
139.11125	2.2
140.04678	31.3
142.02600	1.5
143.01874	4.6
143.07072	1.9
143.08580	2.8
145.06516	1.6
145.09061	1.0
145.10107	26.3
147.08060	6.2
147.11678	2.7
147.43690	1.0
149.05981	1.9
149.09621	61.4
149.13272	2.5
151.03946	1.9
151.11185	1.8
153.05434	3.9
153.09113	7.8
155.07034	48.9
155.08397	2.6
161.02969	8.5
162.03191	1.7
163.07526	2.7
163.11183	24.6
163.14684	1.4
165.09119	11.9
167.07054	4.8
167.10666	37.7
167.12079	2.1
171.06516	4.1
171.10135	2.3
173.08063	4.8
173.09595	7.0
173.13316	6.5
179.07018	2.2
179.10609	2.3
180.56566	1.1
181.04955	72.5
181.08495	2.3
181.12114	1.3
187.57123	1.0
191.10663	55.9
191.14281	6.6
197.11702	1.7
206.09682	1.3
209.08170	14.9
209.11719	63.3
209.15240	4.9
209.56738	1.3
215.10245	2.6
218.08072	2.4
227.05560	3.7
227.09135	18.3
227.12752	38.0
227.16364	4.5
227.17711	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	227.1277
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03931	2.9
55.01879	4.8
55.05512	15.3
56.96547	5.3
57.03420	5.0
67.05511	20.0
69.03445	2.7
69.07064	11.3
70.04519	5.1
70.04923	7.9
71.04989	5.6
73.02882	2.6
79.05489	26.0
81.03400	2.7
81.07049	25.3
83.04958	4.9
83.08620	16.5
85.06526	2.3
91.05475	8.7
93.07049	37.9
95.04961	7.3
95.08609	44.4
97.02870	3.0
97.06538	5.0
97.10149	6.2
99.04449	6.2
99.08086	3.1
100.02470	3.7
100.11241	5.9
105.07024	9.3
107.04938	8.8
107.07934	3.6
107.08599	25.1
109.06502	2.9
109.10154	5.5
113.96398	2.4
117.07012	9.3
118.03456	4.1
119.08582	9.8
121.06490	8.6
121.10157	16.3
125.06000	3.9
125.09686	4.0
131.08617	3.0
133.10123	5.7
135.08046	2.4
135.11697	48.1
139.07434	2.1
143.08534	3.5
143.28476	2.1
145.10132	24.3
149.13239	3.1
150.21210	2.0
151.11179	2.9
153.12807	2.3
157.10027	2.6
159.11658	2.7
163.11174	62.9
163.14757	2.6
174.07968	2.7
181.12245	10.0
185.58827	2.9
209.11768	3.2
209.15370	2.7
227.06944	2.5
227.12769	100.0
227.17780	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	227.1279
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.73208	3.3
53.03942	7.3
53.90343	3.0
55.01871	11.0
55.05512	37.7
56.96574	17.4
57.00112	3.1
57.03436	8.0
57.07077	7.9
67.05504	29.3
69.03428	10.9
69.07068	34.3
69.57871	12.0
69.58293	14.8
71.01341	5.4
71.04985	13.2
71.08631	5.4
73.02909	4.6
79.05495	45.5
81.03423	8.0
81.07058	43.5
83.04980	10.8
83.08630	27.6
85.02887	4.7
85.06520	6.4
91.05479	28.8
93.07037	55.9
95.04981	21.0
95.08616	58.8
97.02830	7.3
97.06542	15.4
97.10173	6.2
98.97580	11.2
99.04458	13.5
99.08128	8.1
100.11261	35.4
105.07027	19.6
107.04943	14.8
107.08595	43.7
109.06525	8.5
109.10166	14.3
111.04411	6.4
111.08107	22.1
113.05986	3.4
115.96119	3.4
116.98612	5.4
117.07030	12.2
117.67551	3.1
119.04955	7.2
119.08574	15.7
121.06502	6.8
121.10143	46.0
121.73494	3.1
123.04398	5.3
123.08038	8.9
123.11716	5.9
125.05949	4.0
125.09634	9.4
131.08556	6.2
133.10144	7.2
134.99686	5.2
135.04460	3.7
135.08043	7.3
135.11696	58.6
136.05185	9.1
137.05980	37.6
137.09645	4.9
139.07478	5.7
139.11194	8.1
143.08574	5.1
145.10133	29.4
147.11586	4.0
149.01228	11.9
149.09634	5.8
151.07603	3.9
153.09070	7.4
156.03633	11.9
158.99635	4.8
161.03012	4.0
162.83014	3.4
163.11183	74.4
163.14824	7.1
167.02292	4.7
167.07063	12.2
167.10654	6.5
167.54407	5.9
169.08627	10.4
177.00735	6.4
180.56538	11.7
181.04903	4.9
181.06509	4.2
181.12221	16.3
183.04163	6.1
191.10616	4.0
193.43669	3.5
195.07918	16.7
206.58591	6.0
209.08020	3.7
209.11664	7.8
209.15160	4.5
210.57643	3.7
213.74940	11.3
214.08582	4.3
218.08104	5.9
218.58487	4.0
226.57021	7.5
227.07005	11.4
227.10571	9.8
227.12711	100.0
227.18149	15.8
227.23709	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03940	2.5
55.01865	4.7
55.05505	6.3
56.96573	1.7
57.03429	2.0
59.05005	1.1
63.18656	1.3
65.03934	6.5
67.05515	5.6
69.03422	3.3
69.07074	7.1
69.40221	1.0
69.40575	11.8
70.06597	1.5
71.04997	2.7
73.02503	2.2
73.02920	39.4
79.05491	4.0
81.07059	4.6
82.04198	1.8
83.04980	3.9
83.08620	4.9
85.02881	3.7
85.06538	2.8
86.09688	2.1
87.15780	1.2
91.05466	6.1
93.07039	8.4
95.04972	9.7
95.08606	4.9
97.02878	2.4
97.06530	3.9
98.97580	2.1
99.04443	1.7
99.08095	2.6
100.11256	22.9
103.05450	1.5
105.03393	2.1
105.07053	2.2
107.04960	2.3
107.08575	6.0
109.06498	2.2
109.10175	2.8
110.03671	3.2
110.09719	1.4
111.04430	3.4
111.08104	2.5
116.98584	1.6
119.08582	2.5
121.06505	4.7
121.10144	5.1
123.04456	9.2
123.11786	2.0
125.02359	3.1
125.05991	3.5
125.09624	3.8
131.08566	3.6
133.10147	4.4
135.08141	1.2
135.11714	1.1
137.05971	6.6
137.09653	1.3
138.03206	1.9
139.10164	1.4
140.03593	2.6
140.04684	48.6
142.02608	2.6
145.10172	1.6
149.06001	3.2
149.09668	2.2
149.13211	2.7
151.11188	1.8
153.05476	2.0
153.09100	1.6
153.12756	1.4
155.07036	66.4
163.11256	2.5
167.07085	4.2
171.06566	7.7
173.08101	7.9
177.05530	2.8
179.07066	2.8
180.56609	1.9
181.04967	100.0
181.08513	4.3
187.57286	1.8
191.10762	1.8
191.14400	2.0
209.06047	1.9
209.08049	22.2
209.11813	2.3
209.15015	2.1
209.16643	3.8
218.08139	3.7
227.07040	3.3
227.09094	28.7
227.12627	1.8
227.17517	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	227.0914
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
52.68309	0.4
53.03947	0.8
55.01872	5.5
55.05516	2.7
56.96579	0.6
57.07073	0.6
60.26633	0.4
62.81208	0.5
65.03938	6.9
67.05499	2.8
69.03406	2.2
69.07062	3.2
69.73094	3.0
71.04986	0.9
72.11212	0.5
73.02917	37.6
79.05497	1.9
81.03439	0.5
81.07057	1.4
82.04192	2.5
83.04974	0.6
83.08652	1.0
85.02910	4.2
85.06564	0.6
85.57336	0.5
91.03972	1.1
91.05495	3.1
93.03413	0.8
93.07048	3.4
95.04969	6.4
95.08622	1.3
96.24629	0.4
97.02897	1.4
97.06533	3.6
97.10183	0.8
97.26311	0.4
98.21413	0.6
98.97591	1.1
99.04456	0.9
99.08115	0.8
100.11256	5.0
103.05511	1.3
105.03392	0.7
105.04544	0.5
105.07001	1.0
107.04946	1.2
107.08604	1.5
108.02089	1.1
109.06543	1.0
109.10183	0.6
110.03655	3.1
110.09742	0.7
111.04460	1.7
119.04948	0.8
119.08607	0.8
120.05702	0.5
121.06514	1.9
121.10156	1.7
123.04427	8.3
123.11715	1.2
125.02336	1.9
125.05990	2.0
125.09636	1.6
131.08582	0.6
133.10114	1.4
137.05959	1.6
138.03123	1.3
139.11156	0.7
140.04683	50.1
141.05005	0.7
142.02606	2.8
149.05981	0.7
149.09584	0.8
151.11186	0.8
153.05463	1.8
153.09093	0.9
155.07028	65.0
163.11165	0.6
166.06218	0.9
166.08600	2.3
167.07083	1.8
167.10684	1.3
171.06538	6.6
173.08105	5.7
173.13242	0.8
177.05394	0.7
179.06989	3.0
180.56480	0.9
181.04958	100.0
182.05290	1.0
191.14195	0.6
209.08051	21.7
209.11237	0.9
209.15239	0.6
215.06567	1.9
216.06451	0.7
218.08081	0.8
227.09126	25.2
227.16115	0.8
227.17650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01875	5.9
55.05519	25.0
56.96575	8.2
57.03428	5.8
57.07077	10.7
59.05008	5.7
65.76153	2.8
67.05517	14.2
69.03433	17.1
69.07065	16.4
70.08916	5.0
70.09341	9.5
71.05000	14.3
79.05488	12.1
81.07062	47.9
81.91315	2.3
83.04980	33.3
83.08620	5.1
84.96047	2.6
85.02908	15.7
85.06556	4.9
87.04485	4.6
91.05485	14.3
93.07035	22.9
95.04970	100.0
95.08605	26.6
97.02910	12.1
97.06551	9.9
97.10136	3.0
98.97597	16.8
99.04461	92.7
99.08114	5.5
105.03414	2.6
105.07036	29.6
107.04974	3.7
107.08612	30.1
109.06529	16.1
109.10172	17.5
110.97561	2.4
111.08070	4.8
113.05992	2.2
113.09679	2.4
115.03945	9.9
116.98631	10.3
117.07039	2.3
119.01970	2.7
119.04938	5.6
119.08585	44.5
121.06523	5.3
121.10146	29.1
123.08073	29.0
123.11690	13.7
125.05980	8.2
125.09639	6.1
127.07584	6.3
127.11199	6.0
128.98636	2.4
131.08574	4.2
133.06497	4.1
133.10117	16.6
134.99658	2.7
135.08109	4.2
135.11707	9.0
137.06056	4.1
137.09619	9.7
137.13286	9.9
141.09128	6.6
145.10139	10.0
146.99655	3.0
147.04387	5.6
147.08064	8.4
147.11693	18.9
149.09641	15.8
151.07562	9.4
151.11223	14.9
153.09108	31.5
153.12778	2.5
155.02835	2.6
156.09366	2.9
158.99687	3.9
161.01256	5.0
161.09621	5.0
161.13268	37.6
163.11182	34.4
165.09117	6.1
165.12782	10.3
167.10690	3.6
171.11708	5.0
175.03975	3.0
175.14133	2.4
177.00723	6.1
177.05492	3.5
177.12726	2.7
179.14325	5.4
183.13861	5.7
189.12767	43.1
204.06438	3.8
207.06540	5.9
207.11931	2.7
207.13829	43.2
213.06955	13.0
213.57309	2.8
224.57874	4.7
225.07133	3.1
225.12820	5.3
225.14864	55.1
226.05583	2.6
237.02843	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05501	10.0
56.96554	5.3
57.07073	12.1
59.04992	5.1
67.05491	10.4
69.03423	3.0
69.07069	17.5
71.01337	2.9
71.04993	38.7
71.08609	2.7
71.10234	5.3
71.10558	2.5
79.05505	10.9
81.03423	3.3
81.07047	19.8
83.04984	16.6
83.08620	14.5
85.02904	6.7
85.06530	3.8
91.05476	7.1
93.07018	10.9
95.04970	12.0
95.08603	22.5
97.02909	3.7
97.06529	26.6
98.97577	7.6
99.04452	100.0
99.08107	5.4
101.06018	2.9
101.95039	2.3
105.03349	3.3
105.07032	25.0
107.08599	47.5
109.06508	41.4
109.10172	6.5
111.04458	3.8
111.08083	4.2
111.11728	8.8
113.09635	7.8
116.98607	6.0
119.08583	13.0
121.06476	3.8
121.10146	24.2
123.08067	39.1
123.11702	23.2
125.06017	3.4
125.09644	14.9
127.07526	4.0
131.08553	5.2
133.10150	5.2
135.08136	4.0
135.11670	4.6
137.09584	5.2
137.13246	8.0
139.07494	3.2
139.11176	7.3
141.09071	5.2
141.12651	2.3
145.10124	3.9
147.11664	17.2
149.09602	20.5
151.07558	9.7
151.11221	2.8
153.12704	6.6
158.99684	3.8
161.09775	2.5
161.13252	8.9
163.11172	2.3
165.09120	3.0
165.12730	19.0
167.10683	35.8
171.04901	4.0
171.11725	3.6
177.00615	3.5
179.14363	4.2
179.29298	2.2
183.13797	59.1
186.91081	2.5
189.12747	13.9
191.14395	2.4
196.49084	2.2
207.06548	4.5
207.13774	27.6
214.08556	7.0
225.09187	3.6
225.11263	4.0
225.14824	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.12633	3.2
53.03942	9.8
55.01871	6.3
55.05511	30.6
55.84212	3.0
56.24277	3.1
56.96559	10.3
57.01938	3.7
57.07074	8.2
61.02509	3.3
65.03938	3.5
67.05503	55.6
69.07075	18.4
71.04995	7.9
75.09162	3.0
79.05493	75.0
81.03419	19.0
81.07065	46.5
83.04978	38.8
83.08616	11.0
85.06544	5.1
91.05482	53.7
93.07043	100.0
95.04973	36.8
95.08602	31.3
96.07812	3.2
97.02922	3.3
97.06536	8.1
97.10181	6.5
98.21516	8.8
99.04436	5.6
101.38201	3.7
101.95019	19.4
105.03381	6.4
105.04510	3.5
105.07027	45.2
107.05014	5.7
107.08582	22.6
109.06499	13.6
109.10188	6.0
109.82843	3.7
111.08081	4.8
117.07015	6.1
119.08592	23.5
119.96072	12.5
121.06509	4.6
121.10147	9.2
123.08094	15.6
125.09550	4.0
127.07504	4.0
129.06999	19.8
131.08600	4.2
133.06461	4.1
133.10138	12.4
137.97112	9.9
143.08554	8.2
145.10101	9.0
147.08035	6.6
147.11693	57.8
147.49632	3.3
160.98714	8.7
161.09639	7.2
161.13251	12.8
161.71104	3.4
171.11668	31.9
177.43929	3.5
178.99760	10.4
181.52701	30.2
182.03015	28.1
183.54552	3.2
185.04590	3.5
186.54045	3.6
189.12735	12.6
190.53220	11.0
191.03583	67.4
191.53734	4.1
193.53789	5.6
194.05061	7.1
194.55244	6.9
195.59779	3.3
196.55536	5.0
200.04141	42.4
201.56317	10.7
202.54390	43.0
207.13725	20.2
211.54961	10.6
214.05269	8.9
225.14853	72.9
225.60402	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05503	7.6
57.07075	4.2
57.54866	1.6
59.04994	4.5
62.67391	2.0
67.05511	18.9
69.03426	2.7
69.07053	3.9
70.16296	9.7
70.90011	1.7
79.05484	4.6
81.03454	1.7
81.07034	5.1
83.04970	6.0
85.06539	11.3
91.05475	3.7
93.07034	7.4
95.04979	3.5
95.08609	100.0
97.06499	2.4
97.10178	3.9
105.07029	7.1
107.08580	9.3
109.06517	5.1
109.10165	2.2
109.33931	1.6
113.06001	10.4
119.08582	14.9
121.10142	8.9
123.08073	35.5
123.11702	4.2
129.05394	1.8
135.11693	10.1
137.09631	2.6
141.09084	5.2
143.01851	3.0
147.08038	2.5
147.11691	6.5
149.09633	16.3
151.07564	2.7
153.09111	1.8
161.02974	6.8
161.13246	7.3
163.11139	5.1
165.09082	2.2
165.12732	4.7
177.05438	2.3
189.12709	9.5
207.13788	16.1
225.14906	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03928	3.1
55.01860	4.8
55.05511	91.3
56.96556	4.7
57.03439	8.4
57.07064	7.9
67.05499	21.7
69.03423	7.6
69.07069	54.8
69.41032	23.9
69.41444	7.4
71.04980	12.1
79.05500	15.9
81.07059	56.9
83.04477	5.6
83.04980	100.0
83.08597	6.6
85.02885	6.6
85.06522	3.5
91.05482	21.9
93.07046	32.5
95.04970	43.5
95.08593	40.4
95.18195	3.7
97.06532	24.6
97.10142	4.6
98.21545	7.3
99.04461	38.1
99.08083	10.0
101.06044	3.3
105.03433	5.2
105.07033	30.4
107.04926	3.3
107.08592	30.8
109.06528	24.2
109.10153	28.3
111.08061	22.1
113.05994	3.8
116.98666	3.8
117.06997	4.1
119.04923	4.9
119.08586	28.3
121.06516	9.8
121.10142	25.8
123.08073	44.8
123.11683	11.7
124.05202	11.6
125.06016	5.9
125.09616	11.0
125.10583	2.9
127.07486	4.3
131.08527	6.8
133.06467	3.2
133.10146	14.1
135.11664	10.7
136.05159	4.0
137.05992	22.1
137.09613	79.7
137.13220	5.2
141.09187	4.0
143.08455	3.7
145.10101	8.7
147.04440	4.8
147.08066	4.9
147.11697	15.0
149.09630	22.1
151.07582	10.0
151.11183	6.0
153.12743	88.6
159.11699	7.0
161.13258	20.8
163.11238	15.1
165.12743	10.9
165.95737	3.4
167.10672	15.2
171.11687	4.3
175.03889	5.1
177.12820	5.1
179.14384	5.7
183.13838	8.9
189.12730	27.7
195.13789	62.3
207.06537	8.5
207.13789	34.1
216.60509	4.6
224.57727	4.1
225.09300	4.6
225.14856	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9723
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00683	9.7
74.63033	3.8
86.09696	7.6
94.93027	16.6
103.55318	3.5
143.91565	3.1
154.01680	3.2
158.97215	4.0
176.98322	9.7
205.96175	12.3
206.94441	4.8
208.47330	3.2
218.99426	8.1
219.45595	3.0
223.97247	100.0
223.99388	6.8
224.02834	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90243	21.0
76.63794	3.7
79.59937	3.9
84.08109	4.1
88.40401	3.6
95.08566	4.0
101.00890	9.9
119.01922	100.0
124.02380	4.2
137.02945	41.7
142.03505	52.5
158.97313	5.7
160.04550	29.5
161.02977	23.6
165.04976	4.1
176.89542	4.0
176.98296	9.1
177.00993	7.2
179.04027	42.8
184.04543	9.1
187.99237	11.1
190.79875	4.5
199.50018	21.2
200.98375	14.6
202.05714	6.4
207.13904	4.0
211.00667	5.5
220.02089	4.9
242.99442	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	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03958	2.6
55.01865	4.8
55.05513	14.0
56.96558	6.1
57.03423	3.9
57.07085	11.4
58.79045	1.8
59.04986	5.5
60.90551	2.0
65.03922	3.2
67.05511	13.5
69.03425	24.5
69.07068	14.5
69.89000	7.7
69.89415	4.0
70.06587	2.2
71.04984	8.6
71.26671	1.9
73.02925	2.4
73.06545	2.9
75.04476	2.9
79.05490	12.9
81.03402	6.6
81.07047	18.5
83.04984	20.2
83.08604	6.5
84.72005	2.1
85.02876	6.7
85.06535	3.7
89.06000	4.0
91.05475	24.8
93.07052	31.8
95.04960	15.1
95.08601	14.2
97.02881	4.4
97.06521	7.3
98.97610	10.7
99.04453	5.7
105.07034	46.7
106.56536	1.9
107.04945	8.6
107.08598	35.9
109.02855	6.0
109.06516	13.7
109.10171	6.2
111.04444	4.9
111.08086	14.9
115.05446	2.6
116.98627	11.0
117.07021	14.5
119.04966	3.3
119.08583	100.0
120.08099	5.7
121.02858	2.2
121.06523	21.2
121.10146	18.7
122.07222	2.8
123.04414	2.8
123.08060	14.9
123.11697	3.5
125.05965	6.0
125.09627	7.1
127.03919	3.1
129.07007	4.3
130.07755	3.8
131.08562	14.2
133.06471	2.1
133.10139	35.9
134.99632	7.1
135.04472	3.1
135.08101	12.5
135.11711	18.3
137.05922	6.4
137.09637	10.7
139.07558	8.1
139.11116	4.0
143.08566	3.8
144.09334	10.8
145.06473	5.8
145.10130	15.1
146.10890	2.8
147.08026	8.6
147.11655	5.0
149.01218	2.6
149.02345	25.3
149.06029	10.3
149.09612	11.9
149.13275	5.8
151.11177	3.1
153.09097	3.0
154.55281	1.9
158.99687	7.5
159.08069	2.5
159.10455	3.8
159.11703	69.1
161.09647	11.3
161.13254	51.2
162.03180	2.6
163.03886	5.3
163.07533	8.9
163.11191	25.1
165.07042	3.0
165.09123	36.7
167.07033	8.9
172.08853	2.3
173.01176	2.5
175.11200	2.4
177.00682	11.7
177.05495	5.9
177.09108	6.2
177.12769	47.4
179.07126	3.6
179.10670	13.7
180.03537	9.1
180.76749	2.3
181.04950	2.1
181.08617	2.2
181.12270	5.7
187.11147	16.9
190.02585	3.1
202.06725	3.4
205.04843	2.3
205.08899	4.0
205.12242	92.5
214.08696	3.8
223.05655	22.4
223.07571	4.0
223.09497	7.1
223.11223	4.9
223.13298	70.2
223.16608	11.4
225.04294	9.3
227.02194	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	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03943	5.2
55.01860	7.5
55.05264	2.6
55.05513	39.4
56.96553	10.3
57.03427	6.6
57.07081	12.2
57.07312	2.5
59.04985	11.7
66.34400	2.3
67.05514	31.1
69.03082	3.7
69.03436	63.1
69.07072	18.2
70.19524	7.3
70.19938	5.2
71.01376	3.0
71.04974	8.4
73.02895	7.4
79.05500	23.4
81.03429	7.1
81.07058	27.0
83.04985	29.9
83.08618	11.2
85.02898	10.8
85.06535	7.2
87.04469	4.1
89.06030	7.1
91.05479	42.2
93.07042	57.8
95.04963	24.2
95.08617	32.4
97.02868	3.2
97.06535	9.0
97.10144	4.2
98.20819	2.8
98.97589	21.9
99.04447	6.1
103.05478	3.3
105.07034	60.2
107.04955	7.7
107.08603	84.8
109.02888	5.0
109.06512	32.7
109.10169	25.9
111.04440	6.1
111.08081	17.9
115.05457	5.9
116.95396	2.4
116.98634	16.9
117.07050	23.9
119.04949	5.9
119.06069	3.0
119.08586	100.0
121.02881	4.0
121.06521	32.9
121.10143	31.1
123.04417	4.4
123.08066	21.2
123.11718	2.8
125.05988	7.7
125.09628	7.3
128.02284	4.2
129.07010	8.8
130.07707	3.1
131.04927	6.5
131.08575	21.4
133.06491	4.3
133.10138	46.5
134.99644	10.6
135.04456	4.0
135.08063	36.3
135.11707	31.4
137.06000	17.4
137.09631	37.8
139.05035	2.6
139.07555	12.5
143.08562	6.9
144.09326	17.4
145.06485	9.2
145.10130	19.7
146.99699	2.7
147.04411	8.7
147.08034	12.6
147.11630	4.9
148.08801	4.5
149.02353	35.6
149.05977	11.4
149.09650	22.4
149.13248	12.4
151.07539	13.2
151.11163	5.1
152.06203	2.7
153.09100	26.8
157.10110	4.0
158.07301	3.2
158.99646	6.7
159.08041	7.2
159.11705	87.2
161.09615	19.4
161.13255	46.7
162.03131	4.7
163.03915	11.4
163.07544	16.9
163.11191	46.8
165.09100	16.5
167.07034	10.6
170.99541	2.7
172.08780	7.2
173.01237	3.3
175.11186	19.3
177.00682	13.9
177.05521	5.3
177.09093	6.7
177.11220	3.5
177.12761	66.8
179.07027	6.4
179.10718	14.5
180.03532	14.1
181.12265	6.3
187.11169	20.8
190.02634	3.9
190.06746	11.7
191.02187	4.5
193.12256	7.2
195.13794	6.8
201.57561	3.2
203.05678	3.5
203.07484	4.2
204.34496	3.0
205.08604	4.5
205.12256	69.2
212.06329	3.9
214.08557	4.1
223.05830	34.7
223.09602	5.0
223.11499	4.8
223.13319	85.4
223.16920	10.5
225.04300	17.7
227.02231	5.8
244.99727	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	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03946	0.6
55.01860	1.1
55.05511	4.5
56.96563	1.3
57.03428	0.5
57.07071	0.7
65.03942	0.4
66.04707	0.3
67.05503	3.8
69.03432	0.3
69.07069	4.8
69.33755	3.0
71.04990	0.5
79.05497	2.3
81.02983	0.5
81.03424	7.2
81.07062	3.4
83.04975	1.2
83.08614	2.4
85.06528	0.6
87.08051	0.3
91.05493	2.0
93.07060	1.9
94.04195	2.4
95.04971	9.1
95.08624	1.7
97.02884	0.6
97.06531	0.4
97.10163	0.3
105.07063	1.5
107.04313	0.2
107.04965	3.8
107.08559	2.0
109.02917	0.3
109.06513	1.0
109.10147	0.5
111.08075	0.7
117.07011	1.1
119.08566	1.2
121.06501	0.8
121.10123	0.8
123.08065	1.0
129.07002	0.3
131.08560	0.7
133.10133	0.5
134.99716	0.4
135.08032	0.5
135.11705	0.3
141.06871	0.3
144.33754	0.3
145.10117	1.1
149.02362	3.0
159.11688	0.9
161.09642	0.3
161.13237	0.3
162.03183	0.5
163.03941	0.5
163.11119	0.9
164.53783	0.3
166.46132	0.3
167.03413	0.3
169.95505	0.3
177.12691	0.6
178.09642	0.3
183.58760	0.5
187.11281	0.3
190.02666	0.5
199.09923	0.4
199.60074	1.0
202.10103	0.2
205.12273	1.9
208.03674	0.3
211.10794	0.4
223.06104	1.9
223.13290	100.0
224.13602	1.2
225.04236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03938	5.8
55.01856	5.9
55.05513	46.0
56.96572	34.2
57.03429	7.4
57.07077	10.1
59.05003	8.9
59.41138	2.7
60.08420	3.3
61.02916	8.0
65.03941	4.7
67.05504	35.1
69.03435	50.2
69.07072	23.1
70.04069	10.5
70.04482	5.5
70.06590	7.1
71.04990	17.1
73.02912	12.0
79.05501	26.9
81.03419	16.6
81.07056	35.8
83.04985	61.1
83.08619	7.8
84.08145	12.1
84.96015	3.3
85.02901	28.0
85.06535	8.4
87.04449	4.5
91.05482	41.9
93.07040	66.0
95.04974	35.5
95.08620	41.0
97.02898	16.0
97.06542	22.2
98.97585	72.6
99.04448	21.5
103.05451	7.7
105.07034	65.4
107.04954	10.1
107.08604	61.8
109.02901	7.8
109.06524	27.1
109.10156	26.5
109.61174	3.4
110.97544	3.6
111.04458	7.7
111.08085	14.7
113.05982	3.5
116.98631	61.3
117.07001	20.7
117.98941	3.6
119.08591	100.0
119.90792	3.3
120.08105	4.7
121.02872	7.6
121.06511	54.1
121.08427	3.8
121.10147	50.0
122.07235	5.9
123.04480	5.0
123.08061	40.3
123.11723	9.5
125.06007	9.9
125.09612	8.6
127.03947	4.5
127.07559	4.6
128.02368	3.9
128.98596	7.9
129.07004	8.1
130.06454	5.5
130.07813	5.9
131.06911	19.7
131.08556	25.6
133.01740	4.3
133.10132	45.5
134.99663	36.1
135.04445	4.1
135.08073	35.4
135.11705	32.6
137.05914	9.7
137.09607	25.5
139.07523	10.7
143.00116	4.1
144.09322	13.4
145.06464	7.8
145.10112	31.6
146.99654	10.6
147.06989	4.0
147.08022	19.4
147.11688	11.8
149.01195	5.8
149.02333	55.5
149.06006	10.5
149.07930	7.9
149.09644	26.0
149.13235	12.1
151.07513	6.1
151.11116	3.7
153.09148	10.8
157.01712	5.8
157.10236	3.7
158.05978	5.4
158.99672	30.1
159.06433	7.3
159.08038	8.2
159.11684	83.2
160.08827	5.1
161.01218	6.8
161.09608	10.3
161.13258	45.9
162.03162	4.2
163.03972	9.0
163.07574	9.3
163.11172	49.7
164.07072	4.4
165.09100	35.2
165.12787	3.2
167.05797	3.6
167.07031	15.6
169.06232	4.9
172.08775	5.8
173.01228	4.5
173.04747	4.0
173.13254	5.5
175.02782	15.5
175.11148	19.2
177.00702	53.9
177.02112	3.5
177.05699	6.0
177.07446	26.7
177.08983	5.8
177.12730	48.4
178.01047	4.8
179.02635	5.9
179.10667	10.7
180.03485	28.7
181.06277	6.7
181.08632	3.6
181.12253	11.8
181.52942	3.8
187.11168	21.8
190.02557	7.3
193.06285	6.7
195.01778	8.7
195.13828	4.6
200.02373	6.7
201.00679	4.9
202.04977	6.7
202.06766	25.0
202.08466	4.5
202.56938	8.3
203.05724	6.0
203.07494	11.3
205.04311	6.8
205.08684	4.6
205.12190	59.7
208.03703	5.2
211.05406	3.7
211.07275	11.9
214.08609	8.6
217.03931	4.3
219.01816	12.2
222.58456	7.9
223.05806	48.0
223.09586	8.1
223.11499	4.7
223.13255	90.7
223.16948	12.2
223.59084	4.9
225.04236	28.8
227.02238	7.7
241.07552	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	222.149
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
53.91006	0.2
55.01872	0.3
55.05503	0.5
56.05032	0.3
56.96556	0.7
57.03438	0.4
58.77777	0.3
60.04520	2.9
61.02922	0.3
67.05502	1.0
68.05014	0.5
68.99787	0.2
69.03423	1.0
69.07066	0.6
69.72594	0.2
70.00687	1.1
70.02957	0.4
70.06596	2.3
71.01354	0.4
71.04984	0.5
71.06105	0.4
71.06924	0.3
72.08166	0.4
73.02909	0.8
74.06075	0.5
74.42404	0.2
77.00891	0.3
77.03883	0.3
79.05476	0.8
80.05020	0.8
81.03403	0.9
81.07034	0.7
82.06566	0.8
83.04961	0.6
83.06095	0.3
84.04501	0.4
84.08147	2.4
85.02906	1.1
86.06051	0.6
86.09704	0.6
88.03987	0.4
90.86451	0.2
91.05492	0.8
93.07056	0.6
94.06570	0.8
95.01334	0.5
95.04959	1.0
95.06080	0.5
95.08609	0.3
96.01658	0.5
96.04473	0.4
96.08142	0.7
97.02884	1.1
97.06516	0.4
97.07594	0.4
98.06000	0.5
98.97591	0.6
99.04416	0.4
100.02493	0.6
103.05455	0.4
105.07016	0.9
106.06510	0.4
107.04937	0.4
107.08595	0.7
108.08125	0.6
109.02881	0.5
109.06497	0.7
110.06042	0.6
111.04405	0.4
111.08067	0.3
112.05110	0.3
112.07590	0.6
114.09150	0.2
116.07052	0.3
116.98601	0.4
117.01876	0.4
117.07019	0.3
118.03496	0.6
118.06543	1.0
119.01925	1.0
119.04994	0.3
119.07307	0.9
119.08591	0.6
120.08122	1.4
120.08839	0.2
121.06494	1.0
121.10164	0.4
122.06043	0.5
122.07020	0.2
123.04431	0.8
123.08083	0.3
124.07570	0.9
125.05980	0.3
127.03942	0.6
130.06523	0.4
131.01898	0.8
131.04919	0.6
131.06927	0.3
132.08067	0.8
134.06018	0.9
134.09648	4.5
135.11694	0.3
136.04535	0.3
136.07552	1.6
136.11215	0.7
137.02928	0.6
137.05971	1.1
137.08357	0.3
138.96452	0.3
140.07068	0.7
141.05449	0.4
142.05890	0.6
144.99847	0.4
145.05045	0.3
146.05959	0.4
147.04375	0.3
147.06740	0.2
148.07570	0.7
148.11194	1.2
148.76945	0.3
149.01263	0.3
149.02351	0.9
149.06035	0.4
149.09641	0.3
150.05342	0.3
150.09151	0.4
150.12772	0.8
151.06357	0.5
152.07069	0.4
153.00708	0.3
153.05444	0.4
154.03453	0.8
154.08646	0.4
156.97462	5.3
160.09735	0.8
160.11189	5.1
161.05966	0.4
161.09564	0.7
162.05504	0.8
162.12781	0.8
163.03917	0.3
163.07512	0.3
164.07010	0.5
166.04958	0.5
167.07004	0.3
170.52866	0.3
172.04561	0.4
172.06142	0.2
172.09657	0.5
174.98544	11.8
175.98593	0.8
176.01054	0.3
176.07089	1.3
176.09041	0.3
176.14278	3.4
177.00806	0.4
177.02420	1.0
177.05469	0.5
177.12633	0.3
178.12273	15.2
179.99059	0.6
182.08894	1.1
182.58972	0.6
186.07567	0.5
186.12778	0.5
187.11122	0.4
191.08115	0.4
194.08104	0.3
194.15363	0.4
195.03450	0.3
198.00156	0.7
198.98540	2.1
199.02695	0.7
199.05702	0.7
200.04016	1.7
201.10760	0.5
204.06813	0.3
204.08632	0.6
204.10213	1.1
204.11949	0.4
204.13843	8.5
205.09709	0.3
205.12273	0.4
207.10756	0.5
216.99596	7.4
217.01556	0.5
218.05046	0.5
222.00156	0.4
222.07645	1.5
222.11322	2.6
222.14893	100.0
223.05737	1.3
223.10895	0.4
223.13217	0.4
223.15105	1.5
225.04330	1.4
227.02223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1489
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
55.01864	0.4
55.05491	0.4
56.05017	0.3
56.96561	1.0
57.03411	0.3
57.07075	0.4
60.03425	0.3
67.05499	0.7
69.03419	1.1
69.07061	0.6
69.55438	1.7
69.55846	0.6
69.72043	0.3
70.06583	0.6
71.04966	0.4
73.02892	0.5
74.06086	0.4
76.08780	0.3
79.05486	0.7
80.04997	0.7
81.03410	0.6
81.04538	0.4
81.07048	0.8
82.06573	1.1
83.04939	0.4
83.06098	0.3
83.08616	0.4
84.08129	1.6
85.02911	0.7
90.05546	0.4
91.05461	1.0
93.07033	1.0
94.06562	0.4
95.04957	0.8
95.08617	0.4
96.04471	0.4
96.08133	1.0
97.02875	0.5
97.06521	0.6
98.20682	0.6
98.97571	0.8
105.07008	1.0
106.06563	0.5
107.04945	0.4
107.08592	0.4
108.08104	0.6
109.02866	0.5
109.06518	0.5
109.10149	0.4
110.06012	0.5
116.98592	0.9
117.06998	0.5
118.06541	4.5
119.07352	1.4
119.08579	0.5
120.08096	4.5
121.06469	1.5
121.10132	0.5
123.04444	0.3
123.08077	0.3
124.07605	1.1
128.06346	0.3
130.06490	1.0
131.08565	0.7
132.08086	0.8
133.08846	0.7
133.10118	0.5
134.09642	3.7
134.43866	0.3
134.99657	1.1
136.07582	4.8
136.11215	1.6
137.05980	0.4
137.08350	1.5
137.09529	0.4
147.07991	0.4
147.10266	0.3
148.07574	0.4
148.11220	0.9
149.02373	1.5
150.09186	0.7
150.12840	1.5
151.11270	0.3
153.00691	0.3
156.97449	0.5
159.11700	0.9
160.11200	3.1
161.01233	0.3
161.09564	0.9
162.12799	1.1
163.03949	0.5
167.07256	0.3
172.41914	0.3
173.01103	0.4
174.98541	0.7
175.11137	0.7
176.07021	1.4
176.09023	0.5
176.10611	0.4
176.14363	2.1
177.00700	0.6
177.05618	0.4
178.12271	31.1
179.10585	0.5
180.03555	0.5
180.06577	0.4
186.12866	0.3
187.11208	1.0
191.02286	0.5
193.07385	0.4
193.12273	0.4
201.10757	0.5
204.10651	0.5
204.13840	9.4
205.12347	0.3
207.13892	0.4
211.03621	1.0
216.99544	0.5
222.11319	3.5
222.14890	100.0
223.05733	1.0
223.15193	1.4
225.04248	1.8
227.02168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32138	1.4
62.61086	1.7
68.89922	1.6
69.92099	8.8
71.07346	2.3
77.07944	1.5
84.91169	4.7
86.09711	21.1
87.66828	1.7
104.10693	3.7
105.11076	2.4
128.07013	1.8
156.97426	3.5
162.94469	10.6
162.95641	5.4
174.98476	7.2
204.10237	2.3
216.99493	4.2
222.01927	100.0
222.93958	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	222.0761
Annotation	Methyl 2-(2'-hydroxyphenyl)-2-oxazoline-4-carboxylate
Peak:m/z	Relative Intensity
52.84819	0.9
53.03942	0.9
53.80929	0.9
55.05510	1.8
56.05029	1.5
56.96551	4.2
57.03427	1.5
59.06126	1.0
67.05477	2.3
69.03404	3.5
69.04557	1.1
69.07061	1.3
69.89789	4.9
70.06600	11.0
71.04964	1.1
71.06963	1.0
79.05463	4.3
81.03413	1.1
81.07034	2.8
83.04955	1.6
83.06099	2.3
84.08136	2.5
85.02894	3.1
91.05479	4.4
92.05733	1.1
93.07020	2.6
94.06562	1.3
95.04962	1.9
95.08597	1.5
96.28820	0.8
97.02877	2.1
97.06505	2.9
97.07641	1.7
98.21524	1.2
98.97578	6.0
103.05443	1.4
105.06998	3.3
106.06565	6.3
107.08566	1.5
109.06499	1.7
109.07660	1.2
109.10170	1.0
116.04980	9.0
116.07076	5.8
116.98640	6.2
117.03409	1.0
119.01920	1.2
119.04945	1.4
119.07303	1.8
119.08582	2.9
120.08101	1.9
120.08881	1.3
121.06482	5.7
121.10155	1.9
122.07068	1.3
123.04473	1.0
125.07023	1.0
127.03889	1.1
127.07016	1.9
130.06541	4.8
133.10118	1.7
134.06010	21.2
134.99677	6.9
135.04419	11.6
136.05121	1.0
136.07544	1.4
137.05952	2.7
137.09537	1.1
138.05470	1.3
139.07524	0.9
140.08119	1.7
144.04459	3.4
146.99658	1.1
148.03893	1.3
148.07491	1.6
148.12160	0.9
149.02377	1.8
149.05984	1.6
149.09573	1.4
150.09129	1.5
151.07553	1.4
156.61255	1.0
156.97543	0.9
158.01247	1.4
158.06035	1.4
158.99667	1.5
159.11736	0.9
161.01167	1.1
161.02824	1.0
162.05502	98.2
163.03816	1.1
163.05890	1.4
163.11102	1.4
166.09709	1.3
174.85652	1.0
174.98509	1.5
176.07077	6.3
176.08983	1.0
177.00720	3.4
178.12323	5.0
180.03447	1.8
180.06523	4.6
190.05078	1.0
192.59444	2.0
194.08081	2.2
201.10725	1.9
204.06601	1.5
204.10382	1.1
204.13802	0.9
205.10892	1.5
216.97803	1.2
216.99722	1.2
222.04094	3.0
222.07600	100.0
222.11285	5.3
222.14957	11.0
223.05589	3.9
223.13164	1.3
225.04205	1.5
236.10649	2.7
237.02667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.45580	1.3
53.03934	2.3
55.01866	3.6
55.05503	9.3
56.96569	9.8
57.07056	6.2
59.04984	2.3
60.95757	1.4
65.03931	2.5
67.05504	25.5
69.03412	5.1
69.07067	18.8
70.06596	7.8
71.04987	16.4
71.58347	2.3
79.05495	15.0
81.03425	1.6
81.07056	49.5
83.04966	4.3
83.08606	6.3
85.02879	2.2
85.06522	5.8
91.05470	18.6
93.07042	50.0
95.04974	18.6
95.08057	2.4
95.08609	32.9
96.08150	9.2
97.06541	8.1
98.09668	2.7
98.97565	4.9
99.04435	3.0
101.06045	1.7
103.05450	14.6
105.07033	38.2
106.06537	2.8
107.04939	4.4
107.08587	40.0
108.08100	2.7
108.08790	1.5
109.06528	11.5
109.10156	60.5
111.04420	2.1
111.08077	34.8
113.06035	2.0
113.09652	2.5
115.05482	1.5
116.98608	5.3
117.06984	5.4
119.04818	1.8
119.08582	45.2
121.06497	8.1
121.09307	2.7
121.10136	39.2
122.06061	2.4
123.04432	1.5
123.08069	5.6
123.11707	7.2
124.07583	23.7
125.05972	2.3
125.08307	1.5
125.09614	2.4
126.63643	1.3
128.06197	2.7
129.06972	5.1
130.07780	2.5
131.04929	23.3
131.08560	6.2
133.06468	4.4
133.10124	28.4
134.99658	7.3
135.08063	9.8
135.11681	27.7
137.05989	8.8
137.09631	3.5
137.13206	2.0
139.07507	5.1
139.11197	3.0
142.07802	2.9
143.08543	10.2
145.09032	2.3
145.10114	29.0
147.04337	1.9
147.08015	7.2
147.10646	1.5
147.11691	14.6
149.02336	1.5
149.13232	2.0
150.12842	1.4
151.07542	4.2
151.11159	6.0
153.07857	4.5
153.09042	2.5
156.09335	1.6
157.10132	7.5
158.01205	5.0
159.08041	3.9
159.11687	12.3
161.05988	3.2
161.09605	12.7
161.13254	42.4
163.07530	27.0
163.11203	15.5
163.14886	2.1
165.06799	1.5
165.09094	6.0
174.06773	1.9
175.02771	6.8
175.07487	1.7
175.11150	6.2
175.14828	42.1
177.12668	1.9
177.16356	2.7
179.07002	1.5
179.10712	2.7
179.14305	17.3
185.13275	10.2
189.09131	6.2
191.10617	4.9
192.59398	1.8
193.03833	4.3
193.08627	1.8
193.12257	2.2
193.15781	3.4
195.67886	1.3
203.10634	3.3
203.14325	34.0
203.17978	9.0
204.13766	3.7
206.16217	3.7
221.04388	4.1
221.07921	7.1
221.11963	12.5
221.15358	100.0
221.18703	9.3
222.14870	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	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.01606	0.4
51.02382	0.6
51.10178	0.4
53.03939	3.9
55.01877	1.5
55.05509	8.0
55.89371	0.4
56.96560	0.7
57.07072	1.0
65.03934	0.8
67.05505	9.4
69.07066	9.2
71.04980	2.0
71.10629	0.9
71.10974	0.7
71.21248	0.4
73.06551	1.2
74.29236	0.5
77.03934	1.1
79.05493	47.4
81.07058	35.5
83.04979	1.5
83.08624	6.0
85.06541	4.3
87.04487	1.0
91.04888	0.7
91.05481	30.8
93.07043	100.0
94.07399	0.5
95.04972	9.3
95.08606	14.5
95.24390	0.4
97.06533	1.6
98.97598	2.5
101.06013	1.1
105.04528	1.3
105.07031	28.4
107.08596	62.1
109.06523	4.8
109.10153	1.1
110.80186	0.4
111.08080	1.2
116.98640	2.0
117.07009	3.3
119.06116	0.6
119.08583	26.8
121.06494	2.3
121.10143	14.1
123.08076	4.7
127.07547	0.9
128.06288	0.7
129.07013	2.9
131.08568	6.5
133.06462	0.9
133.10123	8.5
134.99675	2.5
135.08118	2.2
135.11673	1.2
137.09604	0.6
139.07558	1.4
141.09132	0.9
142.07832	0.5
143.08565	8.5
145.10110	1.3
147.08005	2.5
147.11679	2.8
149.09634	0.7
153.09076	0.6
155.08463	0.5
157.10109	3.2
158.01230	1.6
159.11682	6.7
161.09634	3.8
161.13260	28.0
165.09126	1.7
173.13242	0.5
175.11191	6.6
175.14815	6.5
179.10643	0.7
185.11612	0.9
185.13268	16.5
203.14314	11.6
221.11807	1.2
221.15364	35.8
234.16151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02365	0.6
51.40527	0.4
53.03947	3.5
55.01870	1.2
55.05512	7.4
56.96573	0.5
57.03448	0.7
57.07081	0.6
58.28390	0.3
60.50669	0.3
63.05992	0.3
65.03941	1.0
66.19257	0.3
67.05507	10.5
69.03420	0.6
69.07074	9.6
70.46411	1.2
71.04996	1.8
72.54144	0.4
73.06564	0.9
77.03941	1.1
79.05498	50.1
81.03410	0.5
81.07062	31.5
83.04977	2.0
83.08625	4.3
85.02900	0.8
85.06543	3.9
87.04492	0.8
91.05486	30.8
92.06304	0.3
93.07049	100.0
94.07384	0.8
95.04975	10.2
95.08611	15.4
97.06534	1.7
97.10191	0.4
98.97581	1.7
99.04436	0.4
99.08083	0.9
101.06019	1.4
102.87412	0.3
105.03420	0.4
105.04519	1.5
105.07036	26.6
107.08601	61.0
108.08946	0.7
109.06544	4.0
109.10169	1.5
111.08093	1.3
115.05495	0.5
116.98591	2.4
117.07026	3.2
119.06084	1.0
119.08586	27.0
121.06528	2.6
121.10147	13.5
121.11025	0.6
123.08092	4.1
127.07568	1.2
128.06232	0.9
129.07011	2.6
131.08578	6.1
133.10139	8.3
134.99680	3.1
135.08075	2.4
135.11696	1.5
137.06004	0.5
137.09656	1.1
139.07556	1.0
141.09111	0.8
142.07736	0.4
143.08565	7.3
145.10133	1.0
147.08020	2.2
147.11679	3.7
149.09595	0.4
153.00739	0.5
153.09093	0.7
157.10152	3.5
158.01271	2.0
159.11703	6.1
161.09653	3.9
161.13264	26.0
162.13553	0.4
165.09084	1.7
170.10863	0.5
175.11186	5.4
175.13472	0.6
175.14844	6.0
179.10696	1.0
185.13272	17.2
198.98787	0.4
201.12485	0.4
203.14323	11.0
207.03049	0.3
221.04326	0.4
221.15373	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	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.49121	0.9
51.41178	0.9
55.01854	1.5
55.05495	2.4
56.05032	1.4
56.96551	3.6
57.03415	2.1
57.07077	5.2
58.44041	1.1
61.02896	1.6
67.05502	6.8
69.03413	3.7
69.07047	3.2
70.06596	13.6
70.39332	4.6
72.08147	1.5
72.16669	1.2
73.02908	2.7
74.02423	1.4
79.05506	2.5
81.03404	1.6
81.07059	6.1
81.38000	1.0
82.02915	3.1
83.04952	2.6
83.08594	2.2
84.08121	2.6
85.02902	4.1
90.05535	2.3
91.05470	3.2
93.07042	2.5
94.06544	4.2
95.01290	1.3
95.04950	2.6
95.08604	5.7
97.02892	3.5
98.97577	2.5
101.02314	1.3
105.07027	5.2
107.04924	2.1
107.08582	4.0
109.06486	2.7
109.10129	4.3
110.07114	1.4
111.04434	1.2
111.08079	5.9
115.05462	2.4
116.98653	1.8
119.01871	1.6
119.08562	4.3
120.08123	1.3
121.06499	5.9
121.10134	1.8
123.08028	2.5
123.11666	1.4
127.03931	1.5
129.05487	1.3
130.06523	84.9
130.59586	1.0
131.08531	2.0
132.04448	42.2
133.06450	1.8
133.10092	4.1
134.06003	1.5
135.04387	1.5
135.11635	2.2
137.05956	3.1
137.09581	3.4
139.07472	1.2
146.05916	1.4
147.04391	1.1
147.08087	1.5
147.09145	1.4
147.11673	2.9
148.07562	3.4
149.01245	1.0
149.05769	1.0
152.07053	4.9
153.09109	2.6
153.94081	0.9
156.97469	2.5
157.07611	59.2
158.06009	88.2
159.09227	1.3
161.05943	1.4
161.09645	2.2
162.05466	3.0
165.05426	1.4
165.09090	2.6
174.98543	4.4
175.08672	100.0
175.14771	3.8
176.07117	2.9
176.08958	2.1
179.10603	2.0
179.99005	1.5
182.08884	1.4
185.07103	1.3
186.05618	2.0
193.15866	3.5
198.00198	1.4
203.08173	35.3
203.10722	2.3
203.14244	1.8
203.17839	2.1
204.06604	5.8
204.08218	1.1
204.10254	1.2
205.15021	1.3
206.16243	1.7
216.99623	1.8
221.04391	3.8
221.09355	19.6
221.11798	4.7
221.15407	7.5
221.18185	4.4
222.14978	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	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05500	0.6
56.96555	0.9
57.07069	1.5
66.53686	0.7
67.05497	0.7
68.47097	0.6
69.03420	0.8
71.01536	1.0
71.01846	0.6
81.07069	1.4
82.02944	1.7
83.08607	0.6
85.11937	0.5
91.05482	1.2
93.07056	0.6
94.06586	2.9
95.08612	0.7
97.02881	1.0
100.25307	0.5
105.07051	0.9
107.04951	0.8
107.08590	0.9
111.08088	1.3
115.05453	1.6
119.08648	0.8
120.08138	1.1
121.06490	1.2
121.52850	0.6
123.08062	0.7
130.06534	44.3
131.04900	0.6
132.04459	32.3
134.06044	4.9
146.05960	1.5
147.06352	1.7
147.11638	0.6
148.07620	3.3
157.07623	19.7
158.06020	68.7
159.06487	0.6
160.07544	3.0
162.05511	10.8
164.90857	0.6
175.08679	100.0
176.07092	3.1
186.05467	4.4
193.15921	0.6
203.08136	1.4
204.06563	18.9
206.16405	0.9
221.09236	34.0
221.15163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03933	1.1
55.01880	6.9
55.05500	3.1
56.05036	1.0
56.96552	3.0
57.03431	2.4
57.07076	4.3
58.99847	1.1
59.96405	0.7
60.04507	1.5
61.02932	4.0
67.05494	2.9
69.03426	12.3
69.07060	2.4
70.06596	20.8
71.01346	2.9
71.04989	1.9
71.57207	1.7
72.08150	1.5
73.02918	7.3
73.04778	0.8
75.04483	2.0
77.00873	1.1
79.05484	1.9
81.03423	2.7
81.07050	4.2
82.02941	1.9
82.04189	0.8
83.01339	14.8
83.04984	2.3
83.06065	1.0
83.08627	1.8
84.02135	0.8
84.04503	1.0
84.08125	3.2
84.99249	1.0
85.02453	0.9
85.02899	6.3
85.06509	1.7
86.09694	1.2
87.00822	2.0
87.04461	2.2
89.02407	1.0
90.05549	3.8
91.05473	2.7
91.05927	1.0
93.07028	2.1
94.06569	6.1
94.07081	1.0
95.01331	51.5
95.04950	3.3
95.08607	4.4
97.02907	5.0
98.03673	2.2
98.97591	1.6
99.04453	2.1
100.02474	3.1
101.02377	2.4
101.06020	29.4
105.07017	3.5
107.04944	2.6
107.08598	3.2
109.02879	1.1
109.06509	2.4
109.10172	3.6
110.06013	1.2
110.07185	2.6
111.00800	8.6
111.08078	3.4
111.63024	0.8
113.05996	0.9
115.03922	3.1
115.05444	1.0
116.98656	1.0
117.01845	4.9
117.07047	0.8
118.03528	3.7
118.12148	0.7
119.01913	5.6
119.03436	3.4
119.08549	4.0
120.08109	1.5
121.01641	1.1
121.06503	3.8
121.10143	1.8
123.04423	1.6
123.08061	1.0
123.11704	1.2
125.02396	0.9
127.03925	2.3
129.01836	5.5
129.05478	28.6
130.06531	76.2
131.01866	0.8
131.03473	0.9
131.04944	1.4
131.06001	1.0
131.06908	1.5
132.04443	40.1
133.03719	1.2
133.06543	0.9
133.10143	1.5
134.05998	0.9
134.99599	0.9
135.04424	1.7
135.08067	2.2
136.07579	0.9
137.02892	1.5
137.05956	3.0
137.09615	3.3
137.13219	0.9
141.05463	45.4
143.03380	4.0
145.10100	1.1
146.06030	1.3
147.04425	1.4
147.08052	1.4
147.09160	1.8
147.11664	2.4
148.06372	0.8
148.07581	3.7
149.04431	2.4
149.05997	1.0
150.05478	1.0
151.07549	1.0
152.07062	5.6
153.09145	0.7
156.97455	7.2
157.04967	17.4
157.07613	54.1
158.06018	78.4
159.09216	1.2
161.03079	3.9
161.05879	1.4
161.09634	2.1
162.05516	1.6
165.06863	1.1
165.09149	1.7
167.03697	0.9
169.03542	1.1
169.53651	1.3
170.03316	1.7
174.98541	12.7
175.00903	2.0
175.08678	100.0
175.11177	2.4
175.14775	2.3
176.04182	2.7
176.06996	2.8
176.09198	0.9
177.00702	1.0
179.04053	1.1
179.10645	1.1
179.99074	1.7
182.08858	1.9
185.07103	1.5
185.10016	1.1
186.05568	1.4
189.02428	2.4
191.02013	0.9
191.03833	1.5
192.04755	3.3
193.01967	1.8
193.15900	3.4
198.00122	2.5
198.02402	3.7
198.98572	2.0
203.03633	0.9
203.08159	33.8
203.10872	3.0
203.14307	1.1
204.06601	4.2
204.08264	0.8
204.10242	1.7
205.15034	1.4
206.16206	2.1
216.01357	1.7
216.03552	1.2
216.99648	4.7
217.01593	0.7
217.19501	0.7
221.04402	3.4
221.07425	3.9
221.09239	26.0
221.12318	5.5
221.15392	4.7
221.18214	3.3
222.14925	5.6
224.18205	0.8
231.03479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05502	0.5
56.96557	0.4
57.07051	0.9
67.05502	0.4
69.07056	0.6
69.88743	0.2
71.59194	0.3
75.46133	0.2
79.05485	0.6
81.07040	0.4
83.08608	0.4
86.84751	0.3
90.05539	0.3
90.49294	0.2
91.05461	0.7
93.07025	0.5
95.08605	0.4
98.97564	0.2
100.25913	0.3
103.05472	0.3
105.07018	1.1
106.06569	0.3
106.07339	0.4
107.08562	0.6
109.06434	0.2
109.10159	0.4
116.98572	0.4
118.06546	6.5
119.04946	0.3
119.07411	0.3
119.08527	0.6
120.08073	1.4
120.08866	0.4
121.06474	0.7
121.10132	0.3
122.10438	0.3
123.04390	0.3
129.07047	0.4
130.71609	0.2
131.08646	0.4
132.08084	2.1
133.08853	1.0
133.10091	0.5
134.09599	0.5
134.10489	0.5
135.08035	0.6
137.05925	0.5
145.10091	0.4
146.09601	2.0
148.75247	0.2
161.08304	0.3
161.09550	0.4
162.09122	4.1
162.13553	0.5
164.10759	0.4
171.11113	0.2
176.10764	3.5
176.14342	22.4
177.11414	1.1
178.05003	0.2
179.59981	0.3
181.63794	0.2
189.09019	0.3
190.12234	2.6
191.12788	0.3
192.17474	0.4
202.15953	0.7
203.10736	0.2
204.14668	1.8
205.15875	2.8
220.06009	1.0
220.16939	100.0
221.03969	0.3
221.07977	0.3
221.11685	0.8
221.17310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
56.51500	1.2
57.07088	7.8
57.59161	1.5
60.99637	1.5
62.10316	1.4
64.83242	1.4
67.05479	3.4
69.03404	1.5
69.07055	3.5
71.06091	1.7
71.50063	1.4
71.57758	2.5
77.00919	3.0
81.07056	8.0
82.41973	1.4
82.99855	1.7
83.08602	2.2
91.05440	2.6
93.07037	4.5
95.01952	2.8
95.04958	1.5
95.06106	1.9
95.08586	5.6
97.11275	1.4
100.02490	10.3
101.00881	7.9
103.00581	1.6
105.07027	4.4
107.08580	3.0
107.39622	1.4
109.10167	7.0
111.08072	4.6
111.99277	1.5
118.03526	13.2
119.01923	100.0
119.08517	3.6
120.02039	3.2
120.03250	2.4
121.01669	9.2
121.02764	1.3
121.06490	3.3
121.10100	2.1
127.00860	4.2
131.01898	1.6
131.03795	2.0
131.05554	2.1
133.03522	1.4
133.10107	4.2
135.03214	4.2
135.11639	1.9
136.04535	2.3
137.02959	69.3
137.05934	1.8
137.09601	4.0
138.03040	1.6
139.00897	6.3
139.02669	5.4
139.50974	3.4
142.03487	6.5
143.01938	2.0
144.03372	1.8
144.05026	1.7
147.05042	4.6
147.08043	1.6
147.11719	2.4
148.01416	17.8
148.51465	6.0
149.01318	2.2
149.06645	2.7
150.51715	8.8
151.01700	3.3
151.11186	1.6
157.01788	1.6
157.03491	1.8
159.51184	1.6
159.52243	13.8
160.02298	5.2
160.04564	3.7
161.02959	33.5
161.04398	2.7
161.04863	2.5
163.02744	2.0
171.03018	2.3
173.04768	3.5
174.98534	5.4
175.01137	1.5
175.02640	3.8
175.04291	3.4
175.05742	2.3
175.14819	3.4
177.00972	4.1
179.00713	10.0
179.04016	72.4
179.99255	2.1
184.04553	3.1
191.05856	3.5
193.03644	2.2
193.15849	4.1
195.51523	12.9
196.01555	6.2
197.99167	6.3
198.04205	2.7
198.05855	2.6
198.07430	2.7
199.05676	3.0
202.05617	6.2
203.03902	2.3
203.17809	2.2
204.51967	1.5
206.16229	1.8
206.66757	2.6
207.02295	1.7
216.07153	2.3
216.10869	1.8
216.99734	1.7
217.09129	1.8
219.02103	2.8
221.01750	47.2
221.04932	3.9
221.06999	18.7
221.11752	3.3
221.15355	8.4
221.18105	4.4
240.88759	1.5
244.03703	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	219.1745
Annotation	(+)-beta-Atlantone
Peak:m/z	Relative Intensity
51.85830	0.5
53.03947	0.6
55.05517	4.0
56.96552	0.9
67.05487	0.5
69.07100	0.5
70.82980	1.4
79.05492	4.5
79.47982	0.5
79.48522	0.6
81.07053	1.1
83.04987	34.2
86.61646	0.5
91.05498	2.8
93.07052	20.0
95.04990	0.8
95.08605	0.8
95.85417	0.5
105.07029	4.1
107.08638	0.8
119.08587	2.8
121.10152	100.0
122.10526	0.7
122.95567	0.6
123.08086	0.7
133.10149	1.2
135.11681	0.8
145.10092	1.0
159.11652	1.1
160.39705	0.6
161.13211	0.7
180.25549	0.5
190.95369	1.6
201.16389	1.1
203.14323	6.0
219.14076	1.0
219.17448	25.2
226.83769	0.5
228.22571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Pantothenate
Peak:m/z	Relative Intensity
55.01851	3.0
55.05496	2.0
56.05003	1.7
56.96569	2.6
57.03421	1.2
57.07074	8.7
57.49935	1.1
59.05010	5.5
60.04508	1.1
61.02932	5.2
62.03247	1.6
67.05480	4.6
69.03411	1.7
69.07070	7.4
70.02963	5.4
71.01357	9.8
71.04976	0.9
71.59044	1.8
72.01650	3.3
72.04520	14.3
72.08144	1.6
73.02898	3.5
73.60699	1.0
75.04478	9.9
76.04807	5.7
79.05464	1.3
81.07040	2.2
83.04936	1.4
83.06071	1.2
84.04489	1.9
84.08094	1.1
84.57832	0.9
85.02892	2.7
85.06544	11.1
86.06012	1.3
86.09689	1.8
87.04443	2.0
87.08073	1.5
88.04813	1.6
90.05555	100.0
91.05446	1.7
95.04970	8.6
96.08118	2.5
97.02856	2.0
98.02425	10.8
98.06042	1.9
98.97549	1.5
99.04436	1.2
100.03972	2.2
103.03934	9.2
103.07581	9.3
104.04269	8.4
104.07122	1.1
107.08533	1.2
109.02834	1.1
110.15694	1.0
113.05954	2.9
116.03460	14.3
119.08529	1.2
124.07585	15.8
131.07034	1.6
131.08545	2.5
132.03687	4.2
134.99652	1.5
138.41699	0.9
140.10710	1.6
142.08641	6.3
149.09540	1.3
156.10185	1.7
158.11725	6.9
159.02922	6.7
159.08028	3.0
160.02005	1.9
160.03238	24.9
160.09702	2.3
162.65649	1.0
166.08629	2.3
174.11186	2.8
177.09113	2.3
177.12729	1.6
184.09695	20.7
188.02733	2.7
188.11862	1.2
189.10089	1.1
192.17407	1.6
202.10742	32.2
204.14732	7.4
205.15866	15.5
220.05481	4.1
220.09911	1.6
220.11745	41.8
220.15343	2.1
220.17798	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47411	0.8
54.51102	0.8
55.01870	3.5
56.12376	0.6
56.96571	1.0
61.02925	18.1
67.05502	1.0
70.15644	0.6
70.84895	2.1
71.01353	28.5
75.04479	44.0
81.07064	1.1
84.99262	1.4
85.02874	0.8
87.04468	14.3
89.02398	8.1
91.05460	1.1
91.41895	0.7
93.07034	0.9
95.52510	0.7
98.97581	1.2
103.03938	58.5
105.06992	1.6
107.08591	0.9
113.36409	0.7
116.98634	1.7
119.08564	1.7
121.10162	2.3
125.26444	0.8
131.03404	13.1
131.08571	1.1
133.10115	1.8
134.99588	0.8
145.10057	1.0
146.06046	1.0
159.02888	100.0
160.03328	0.7
161.04448	0.9
161.09590	1.1
161.13257	1.4
172.95264	2.0
187.02376	7.6
192.59361	1.1
198.99579	0.7
201.59941	2.3
203.14297	11.7
219.05005	12.7
219.07060	1.4
219.09933	0.7
219.14030	1.6
219.17435	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	8.4
60.04504	7.4
66.56518	6.7
67.06709	6.3
69.50679	10.5
69.51087	58.2
70.06585	11.5
71.01346	18.9
72.08150	30.4
72.50887	8.2
72.73824	7.3
74.06091	13.9
77.84695	7.9
84.08144	24.2
85.02907	17.5
86.09711	24.2
87.20150	7.8
97.02888	8.2
119.01881	12.0
130.08575	13.7
131.03351	12.5
134.02888	7.9
137.07967	7.8
158.45961	9.2
159.02940	23.7
173.02985	23.8
196.04605	16.4
203.14319	23.5
218.98137	8.8
219.02681	30.1
219.13486	8.9
219.17395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.9
55.05498	4.5
56.96551	1.6
59.04991	3.6
61.02929	9.8
68.99774	5.3
69.03416	2.3
69.07043	2.0
70.06586	7.2
70.31619	6.7
71.01353	91.9
71.06904	3.0
72.04534	1.3
72.08147	2.1
73.02906	4.8
75.04477	26.3
79.05503	3.5
81.07028	3.6
83.04981	1.6
84.08093	2.0
85.02911	7.9
87.04461	1.9
89.02402	1.6
89.85263	1.6
91.05464	5.6
93.07043	1.9
94.99329	1.3
97.02900	3.4
98.97578	4.9
99.00775	4.3
101.02367	7.0
101.05991	2.1
103.02380	1.6
103.03938	29.6
105.07010	4.1
107.08599	1.9
109.06502	1.6
111.00813	8.0
111.04399	2.6
113.02367	2.1
113.04748	1.5
115.04018	1.6
115.90905	1.5
116.98655	4.2
117.01860	13.0
119.01926	3.0
119.03470	2.0
119.08567	5.0
121.01724	1.6
121.10126	6.8
127.00271	5.9
129.01825	6.3
131.03397	74.2
131.08545	2.5
133.04953	3.8
133.10150	4.8
134.99609	2.7
136.05139	2.6
137.02977	1.7
137.05962	4.8
141.01791	6.8
142.02577	3.3
143.01953	2.1
143.03360	1.9
145.01294	11.2
145.03632	1.7
145.04965	11.0
145.10153	2.6
147.05695	2.0
147.11647	1.8
149.04596	1.6
157.04962	15.9
159.02895	82.4
159.08194	1.9
161.02959	3.6
161.09566	2.7
161.13251	4.4
169.03531	1.8
172.95265	5.6
173.02954	2.3
173.04344	1.5
174.55754	1.5
175.08560	1.8
177.00710	2.4
177.03969	2.7
190.08621	1.7
190.96288	5.0
192.59431	5.1
195.96829	2.1
201.59944	5.7
203.14291	27.4
219.03313	1.8
219.07301	2.4
219.11276	3.4
219.17438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03941	3.5
55.01859	4.0
55.05510	19.5
57.03440	21.4
57.07067	5.3
61.03259	1.5
65.03938	3.3
67.05508	72.8
69.03423	2.2
69.07071	20.4
71.01365	10.3
71.04990	8.4
71.52931	1.4
74.46118	1.7
79.05495	58.5
81.03423	9.7
81.07063	36.9
83.04990	19.9
83.08611	7.9
85.02923	1.9
85.06537	5.8
88.07636	4.2
91.05476	23.1
93.07046	65.1
93.07634	3.7
93.14884	1.6
95.04952	7.5
95.08612	12.2
97.06529	16.3
97.10161	7.5
99.08092	3.0
105.07060	9.2
107.04948	2.2
107.08599	43.6
109.10168	5.5
111.08092	3.2
117.07053	7.7
119.08594	9.7
121.06496	3.2
121.10147	18.9
125.09651	3.0
129.07010	3.3
133.10141	4.4
135.11696	100.0
137.09601	4.3
143.08559	7.0
145.10110	17.4
149.13286	3.6
149.17337	1.6
153.12810	2.9
156.09299	2.5
157.10159	6.2
159.11726	2.3
163.11203	14.2
170.10916	1.7
171.08067	2.7
171.11729	4.2
177.69423	1.6
181.12224	21.7
185.13277	2.1
195.11691	3.9
195.13791	2.3
213.12781	4.8
213.16426	16.4
229.42030	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03944	2.6
53.61415	1.1
55.01856	4.3
55.05513	6.6
56.96560	5.2
57.03421	3.0
57.07061	3.0
59.04989	2.0
59.06119	1.7
65.03922	1.9
67.05504	11.4
68.99780	2.2
69.03419	8.3
69.07066	10.3
70.06595	12.1
71.04990	6.6
71.29453	3.0
72.08143	1.6
74.83672	1.2
79.05492	15.7
81.03404	8.7
81.07055	16.2
83.01336	1.7
83.04976	6.3
83.08614	4.4
85.02907	3.9
85.06526	1.3
86.09712	1.4
88.07619	5.4
91.05478	15.9
93.07043	25.1
95.04962	9.3
95.08608	14.7
97.02891	2.8
97.04025	1.4
97.06518	7.6
97.07596	1.3
97.10176	2.5
98.97572	6.8
99.04458	6.2
103.05457	1.8
105.07030	23.0
107.04959	5.5
107.08594	41.0
107.22781	1.2
109.02924	7.6
109.06522	14.0
109.10149	4.8
110.03643	2.6
111.04433	6.0
111.08070	6.0
116.06256	1.6
116.07085	2.2
116.98609	7.5
117.07039	1.8
119.04927	1.4
119.08554	5.2
121.06462	7.7
121.10140	100.0
123.04430	2.8
123.08065	26.5
123.11678	6.7
123.68876	1.3
125.02400	1.3
125.06006	4.9
125.09621	13.3
127.03908	14.5
127.07563	1.5
128.06181	2.2
129.06982	3.8
130.96278	1.4
131.08572	12.3
133.06491	5.0
133.07486	1.5
133.10121	16.5
134.99660	5.6
135.04422	2.6
135.08035	11.3
135.11703	2.1
136.05238	1.5
137.05951	5.1
137.09621	5.5
139.03850	2.3
139.07536	2.9
139.11163	10.2
140.04716	1.8
141.04401	1.5
142.07764	6.0
143.08549	4.4
145.06441	1.6
146.99600	2.5
147.08087	2.1
148.97348	4.4
149.09618	76.1
151.03934	1.7
151.07530	16.8
151.11154	13.9
153.05467	2.2
153.09105	4.9
154.12178	1.6
156.09334	1.4
157.06526	1.8
157.10106	5.8
158.01138	1.6
158.99684	1.5
159.07996	2.9
159.11597	1.5
165.07040	2.1
165.09097	9.0
167.07040	3.7
167.08498	3.0
167.10674	56.0
169.08644	2.6
171.08102	1.6
171.11662	1.8
177.00772	3.5
177.09103	82.7
177.12724	2.8
184.59804	1.3
185.09587	6.1
185.13179	3.0
189.97618	1.4
192.10132	2.4
195.10159	88.8
195.11685	4.7
195.13885	4.4
196.10573	1.4
213.03786	3.1
213.05510	3.1
213.09108	12.3
213.11186	16.8
213.13132	8.1
213.16188	1.8
230.38461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01876	1.2
55.05261	1.6
55.05513	20.0
56.96569	11.6
57.03442	3.7
57.07075	5.0
59.04999	2.1
67.05507	28.9
68.01504	1.1
69.03432	11.9
69.07067	18.8
70.73687	3.6
71.04993	5.3
71.26622	1.0
75.86992	0.9
79.05492	7.6
81.03420	11.1
81.07059	31.7
83.04987	19.9
83.08624	13.7
84.08207	1.1
85.06547	4.9
91.05484	9.1
93.07043	14.5
95.04974	10.2
95.08611	41.7
95.34454	1.1
97.02869	3.0
97.06548	2.0
97.10178	3.2
97.99197	3.4
99.04454	2.2
99.08100	5.0
105.07041	11.5
107.08598	24.1
109.06529	16.4
109.10162	100.0
110.10522	1.3
111.04467	2.2
111.08088	6.9
113.09684	2.1
116.00230	2.5
119.08588	26.0
121.10151	11.7
123.08077	15.5
123.11711	11.7
125.09631	4.0
127.11202	1.2
129.07071	1.7
131.08597	1.9
133.10135	21.6
135.11697	60.5
137.05949	1.1
137.09612	18.5
139.11180	1.9
147.08049	1.6
147.11685	4.6
149.09605	1.8
149.13289	6.8
151.03894	2.0
151.11194	11.5
151.14850	10.8
153.12758	2.6
155.03432	1.5
157.10152	2.5
165.12796	1.2
165.16498	2.6
167.07045	1.4
167.10735	1.3
175.11200	3.5
175.14845	27.3
193.12260	10.0
193.14128	2.3
193.15880	25.6
211.07739	2.3
211.09592	2.3
211.13124	5.3
211.15013	2.2
211.16718	5.2
229.07500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01861	4.6
55.05514	22.7
56.96568	24.1
57.03428	6.8
57.07074	5.7
59.05000	3.6
65.03938	2.2
67.05505	44.6
69.03432	28.4
69.06718	2.7
69.07070	31.0
69.79182	1.6
70.06587	2.3
70.19775	6.5
70.60555	1.7
71.04997	21.1
78.70628	1.9
79.05495	15.4
81.03426	24.0
81.07062	44.9
83.04631	1.6
83.04991	19.5
83.08615	19.2
84.96016	3.6
85.02869	2.9
85.06538	8.6
86.06099	1.9
91.05497	13.2
93.07054	23.6
94.68491	1.9
95.04957	16.2
95.08608	69.5
97.02909	2.3
97.06518	5.8
97.10161	3.8
97.99198	3.0
98.20804	2.4
99.04460	19.7
99.08089	9.2
105.07041	15.9
107.04924	2.9
107.08597	34.8
109.06525	21.7
109.10162	100.0
111.04465	2.7
111.08083	8.0
113.09638	5.2
115.07584	2.5
116.00204	6.0
116.98618	2.0
119.08587	35.0
120.04214	1.8
121.10150	17.5
123.04456	2.2
123.08060	18.3
123.11701	15.1
124.79891	1.8
125.09635	39.6
127.03960	12.9
127.11182	2.7
129.07034	2.6
131.08624	4.1
133.10139	32.2
133.72783	2.1
135.08022	3.1
135.11693	77.4
136.07504	3.1
136.39317	1.8
137.05975	5.7
137.09630	22.9
139.11165	3.9
141.09041	2.1
147.11696	10.6
149.09613	2.5
149.13274	9.9
151.03865	2.0
151.11156	13.7
151.14790	16.7
153.12732	4.8
155.08577	2.8
157.10046	4.9
165.05531	2.3
165.06947	3.1
165.12773	2.0
165.16412	2.6
167.07042	7.5
169.10149	3.8
175.11247	4.7
175.14841	33.9
193.12276	13.4
193.15884	33.7
196.12357	2.2
197.00844	2.4
199.58461	2.1
211.05904	3.0
211.07622	3.2
211.09395	2.5
211.11340	4.3
211.13232	5.0
211.14877	6.3
211.16957	28.1
215.80571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03943	1.4
55.05510	17.7
56.05847	1.3
56.96563	3.6
57.03437	2.5
57.07074	5.4
59.04998	3.5
67.05504	37.1
69.03432	9.1
69.04869	0.8
69.07069	16.7
69.28108	9.7
71.05002	5.2
77.70827	0.8
79.05478	7.0
81.03424	3.9
81.07055	32.0
83.04980	13.8
83.08622	12.5
85.06554	6.8
91.05477	5.4
93.07045	13.8
95.04958	5.9
95.08605	45.2
97.06535	2.9
97.10172	3.5
97.99152	0.8
99.04472	1.0
99.08086	5.3
101.11598	1.4
105.07034	10.0
107.08595	26.3
109.06515	12.2
109.10155	100.0
111.08076	6.0
112.04774	1.0
113.09676	2.2
115.07549	1.4
116.00303	0.9
117.07010	1.3
119.08575	26.3
121.10157	11.2
123.08075	16.7
123.11723	9.8
125.09637	3.0
127.03889	1.7
127.11222	1.6
133.10133	22.5
135.11693	71.3
137.08548	1.0
137.09613	20.4
139.11217	2.8
147.11697	3.6
149.13208	6.8
151.11182	11.7
151.14809	12.8
153.12756	3.2
163.14796	2.2
165.16449	3.6
175.14822	28.0
175.16277	1.7
181.15952	1.1
183.15732	7.3
193.12228	1.8
193.15869	22.4
211.11203	1.1
211.13370	1.0
211.15128	4.0
211.16965	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.09200	1.2
53.03931	1.5
54.31601	1.2
55.01870	3.2
55.05272	1.3
55.05513	19.1
56.96573	12.5
57.03421	4.1
57.07059	3.7
57.26889	1.3
57.37846	1.2
59.04987	4.3
61.02917	1.4
65.03933	2.0
67.05508	23.5
68.83253	1.1
69.03431	10.9
69.07067	12.7
70.06590	2.5
71.01322	1.7
71.04993	9.4
71.56682	1.5
73.02916	3.4
75.71167	1.1
79.05488	11.3
80.30229	1.2
81.03413	16.5
81.07065	27.6
83.04977	11.5
83.08622	15.0
84.08155	2.3
85.02891	3.9
85.06564	7.1
85.29781	1.4
87.04463	1.3
87.48885	1.3
89.30722	1.4
91.05486	15.1
91.77208	1.3
93.07050	20.4
95.04972	100.0
95.08611	38.3
97.02869	3.8
97.06545	7.2
97.07613	1.4
97.10169	2.5
98.97585	2.5
99.04453	8.0
99.08096	73.6
101.06018	4.5
103.05535	1.5
105.03277	1.2
105.07043	13.8
107.04939	2.5
107.08594	24.4
109.02869	1.6
109.06520	8.9
109.07653	1.8
109.10157	45.1
110.10448	1.6
111.04439	2.0
111.08097	8.1
113.06036	2.3
113.09650	3.2
116.00202	3.0
116.98608	3.2
117.06991	2.2
119.04944	1.8
119.08582	21.4
121.06505	4.4
121.10178	8.8
123.04461	2.4
123.08080	5.9
123.11696	4.6
124.07648	3.1
125.09641	8.4
127.03911	10.6
127.07582	2.4
127.11235	2.3
129.07039	2.1
131.08574	3.7
133.06537	1.5
133.10136	35.8
134.99649	2.1
135.04463	1.9
135.08070	2.2
135.11705	27.1
137.05956	4.3
137.09619	51.3
139.11217	2.1
146.99654	2.4
147.08060	1.3
147.11705	7.0
149.05981	1.6
149.13232	4.1
151.03891	3.9
151.07561	3.3
151.11157	7.5
151.14822	1.5
153.12700	3.6
155.07158	1.3
155.08659	2.5
155.10672	36.9
157.10133	2.2
159.72427	1.2
162.01964	1.4
163.14853	4.9
165.09166	3.5
165.12762	2.6
165.16440	1.5
167.07050	12.4
168.05789	1.3
168.07570	1.4
169.04965	1.8
175.11215	4.9
175.14844	16.9
178.03828	1.5
181.08591	2.5
183.11833	1.1
193.04927	2.2
193.08542	3.5
193.12234	11.2
193.15909	23.9
211.05879	2.2
211.07617	1.8
211.11465	2.8
211.13303	8.6
211.16940	44.8
212.03896	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03951	0.7
55.01865	1.0
55.05510	18.9
56.05846	3.2
56.96561	3.0
57.03426	2.4
57.07081	3.4
59.04999	2.8
62.54782	0.5
67.05504	37.4
69.03427	8.1
69.07066	16.8
69.47469	1.8
69.47889	3.7
70.06625	0.8
71.04996	4.4
71.08634	1.1
79.05493	6.8
81.03412	2.0
81.07055	28.8
82.06573	0.7
83.04981	12.7
83.08620	11.8
84.05338	0.6
84.08947	0.9
85.06543	5.9
87.08110	0.8
91.05466	4.8
93.07045	15.5
95.04977	4.8
95.08606	49.4
97.06553	2.7
97.10175	4.5
98.97553	0.6
99.04480	0.9
99.08092	5.0
100.07603	1.5
100.11256	1.7
101.05996	1.5
101.07949	1.0
101.11581	1.9
105.07031	9.0
107.08594	26.2
108.08945	0.8
109.06524	12.7
109.10155	100.0
110.10498	1.1
111.04427	2.3
111.08073	4.9
112.04779	0.9
113.04863	0.5
113.05971	1.4
113.07966	0.7
113.09653	3.0
114.55789	0.7
115.07589	1.5
116.00227	1.0
119.08582	25.1
121.10144	12.7
123.08061	12.0
123.11704	10.7
125.09636	2.6
127.03929	2.6
127.11198	2.2
128.07091	1.5
129.07466	0.9
131.08502	1.0
133.10126	21.1
135.11688	67.4
136.12059	0.9
137.06004	1.4
137.09612	17.3
137.13239	1.5
138.10382	1.3
139.11147	3.1
140.07216	0.6
141.07315	0.7
145.10237	0.8
147.11682	3.5
149.13243	5.9
151.11197	9.5
151.14806	9.7
153.12756	3.1
163.14821	2.7
165.09105	0.6
165.12715	1.1
165.16429	2.9
167.07036	1.3
169.10289	0.6
169.14072	0.7
175.11147	0.9
175.14824	25.5
176.15186	0.8
179.06963	0.7
181.15923	1.4
182.15439	1.1
183.15765	12.9
193.12308	1.7
193.15875	25.6
194.16295	0.8
211.11354	0.8
211.13188	0.7
211.15157	6.3
211.16974	15.5
225.92639	0.6
226.75038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03935	4.4
54.72790	1.6
55.01856	6.3
55.05264	2.5
55.05515	40.6
56.96568	37.3
57.02419	1.9
57.03426	8.4
57.07075	2.8
59.04982	1.9
63.71749	1.9
65.03918	2.1
67.05174	1.5
67.05501	39.7
69.00570	1.6
69.03440	12.8
69.07067	16.9
71.04974	7.7
79.05489	41.5
81.03419	100.0
81.07059	50.1
83.04981	58.2
83.08615	42.0
84.96029	7.2
85.06532	6.4
91.05483	49.5
93.07040	30.6
95.04965	45.0
95.08604	24.8
97.02896	5.4
97.06526	7.8
97.10166	8.1
97.99166	6.7
98.20731	5.2
99.04452	5.2
99.08123	2.7
105.07026	32.9
107.04962	10.2
107.08611	13.6
109.02880	1.9
109.06514	10.7
109.10151	15.7
111.04510	2.4
111.08094	15.7
116.00225	16.1
117.07054	1.7
119.08574	27.7
121.06522	2.1
121.10159	12.0
123.08068	7.6
123.11716	4.4
125.09640	4.5
127.03931	3.2
129.06985	17.6
131.08585	17.5
133.06494	4.9
133.10126	31.9
134.01273	4.4
135.11681	5.7
137.05952	3.6
137.09605	6.9
139.01797	2.0
142.07762	2.5
147.08017	4.2
147.11697	24.3
149.09645	8.9
149.13306	2.7
151.03975	2.2
151.07523	2.9
151.11201	5.0
153.09155	2.1
157.10104	22.4
165.12767	5.9
167.07047	2.6
167.08449	1.7
169.10173	2.0
175.11182	23.2
175.14830	4.8
183.06523	2.5
188.37619	1.9
193.12260	59.8
193.15909	3.6
196.08850	1.9
211.07599	6.0
211.11267	3.7
211.13164	28.5
211.14772	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.06836	1.3
53.03941	5.7
55.01870	8.1
55.05511	55.2
55.05788	2.7
56.96564	32.7
57.03445	8.6
57.07065	4.4
59.04999	2.7
65.03926	2.6
65.07124	1.3
67.05504	57.7
69.03426	10.2
69.07067	28.5
69.85301	4.9
69.85719	2.0
71.04990	11.6
74.97569	1.3
77.88441	1.2
79.05492	35.8
81.03417	100.0
81.07054	64.8
81.10645	1.0
83.04978	52.0
83.08618	51.3
83.09116	2.7
84.96031	3.7
85.02897	10.3
85.06541	6.4
91.05480	41.8
93.07048	30.2
95.04367	2.0
95.04969	39.7
95.08608	58.5
97.02899	4.6
97.06535	12.9
97.10173	19.9
97.99174	5.6
99.04471	1.8
99.08102	4.9
101.06008	1.2
105.04494	1.3
105.07034	30.7
107.04983	6.4
107.08588	18.1
109.06536	8.5
109.10155	31.5
111.04461	3.1
111.08084	21.7
111.11719	1.4
113.05997	1.8
115.05461	2.5
116.00234	10.4
117.07003	1.5
119.04955	1.4
119.08579	35.1
121.06503	2.7
121.10131	12.2
123.08050	8.5
123.11724	3.0
125.09644	5.2
127.07586	1.4
129.07028	10.7
131.08557	12.8
133.06494	4.2
133.10130	24.5
134.01277	3.3
135.08093	1.7
135.11639	7.3
137.09628	7.0
139.01834	2.4
142.07793	3.5
147.08064	3.6
147.11685	25.4
149.09593	9.3
149.13283	5.5
151.03876	1.6
151.11211	3.5
151.14835	5.9
153.09085	1.7
157.10112	17.8
165.09131	1.6
165.12704	6.7
168.04263	2.1
169.10101	4.2
169.12245	5.9
175.11206	18.6
175.14827	24.9
177.04657	6.4
179.55020	4.3
181.10175	2.2
183.11682	1.8
186.05266	8.6
188.55589	7.1
191.05817	2.0
193.12247	54.4
193.15866	11.4
197.56091	4.5
200.06296	2.7
211.11293	1.5
211.13182	34.8
211.14886	5.3
211.16943	7.5
229.07484	1.9
232.08791	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03941	5.3
55.01862	4.4
55.05511	38.7
56.96557	3.3
57.03441	7.9
59.04985	2.3
67.05503	27.9
69.03426	8.6
69.07065	12.6
71.04277	2.3
71.04969	5.8
79.05494	32.0
81.03417	100.0
81.07057	32.9
83.04980	48.4
83.08617	36.5
84.77169	1.0
85.02909	1.3
85.06551	2.7
91.05482	31.2
93.07040	17.3
94.33315	0.8
95.04972	33.2
95.08603	14.3
97.02905	5.0
97.06523	5.2
97.10172	7.1
97.99189	1.7
99.04463	1.7
99.08098	2.0
105.07034	23.2
107.04944	5.6
107.08589	9.6
109.06514	7.4
109.10172	4.4
111.04443	2.6
111.08077	13.5
115.05457	1.8
116.00301	1.0
117.07003	1.7
119.07792	1.7
119.08585	19.9
121.10149	9.5
123.08074	4.7
123.11707	1.3
125.09609	2.6
128.06206	1.0
129.07013	12.5
131.08577	12.5
133.06485	3.0
133.10127	14.5
135.06638	0.9
135.11703	3.1
137.09612	3.5
142.07822	2.4
145.10107	1.9
147.08057	4.2
147.11682	15.3
148.90007	1.2
149.09596	6.9
157.10123	17.6
163.11171	0.9
165.05447	1.0
165.12773	3.6
175.11182	20.5
175.14812	1.9
193.12241	55.4
211.11269	1.4
211.13274	27.3
211.16653	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.55564	1.9
53.03937	6.9
55.01872	13.0
55.05510	94.9
57.03422	3.5
57.07062	5.8
59.04979	3.9
67.05173	2.3
67.05503	36.9
68.76223	1.8
69.03425	18.6
69.07068	24.4
70.64622	3.4
70.64964	3.0
71.05000	15.5
77.93664	2.3
79.05492	42.1
81.03397	7.6
81.07063	45.1
83.01344	2.7
83.04984	100.0
83.08131	3.5
83.08619	58.0
85.02881	2.6
85.06534	4.8
88.23534	2.1
91.05470	20.0
93.06480	3.3
93.07044	58.4
95.04969	90.5
95.08613	61.7
97.02869	5.3
97.06513	14.9
97.10155	11.0
99.04459	22.9
99.08054	6.0
101.87527	2.1
103.05448	5.6
105.07040	20.5
106.04189	2.4
107.04945	12.6
107.08593	70.0
109.06516	25.5
109.10154	35.2
111.04427	5.5
111.08076	14.6
113.09610	3.0
115.05495	2.4
117.07010	10.7
119.08578	15.1
121.06490	13.1
121.10138	39.3
123.08033	7.4
123.11710	13.1
125.05985	3.1
125.09608	18.0
130.07759	3.2
131.08545	6.6
133.10136	23.5
135.04417	2.0
135.08086	14.3
135.11690	36.4
137.09604	3.6
139.07527	3.0
139.11197	3.3
143.08527	3.2
145.10135	28.1
147.11679	2.9
149.05956	6.3
149.09627	14.0
149.13257	21.8
151.11182	99.4
152.11438	3.2
153.09102	28.4
158.10925	2.7
163.07579	2.3
163.11188	33.9
163.14806	10.0
165.12738	5.0
167.14316	74.3
173.13269	14.9
177.05443	6.8
181.12297	3.0
191.07014	4.3
191.14287	38.8
209.04344	3.7
209.08061	6.2
209.11720	4.4
209.15355	71.9
227.12895	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35049	6.5
61.96151	7.6
71.57861	9.3
74.57999	6.7
89.83686	6.8
94.93020	79.9
102.07931	6.5
106.45802	6.4
112.89600	66.8
143.40131	7.1
148.94006	7.4
192.92999	50.5
209.95596	100.0
210.89453	7.7
220.85818	7.8
226.17511	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03939	4.7
53.40042	1.7
55.01865	6.3
55.05267	2.2
55.05512	36.1
56.96578	15.5
57.03433	9.0
57.07081	2.3
59.04997	2.3
65.03928	2.1
67.05168	2.8
67.05504	32.7
69.03437	12.4
69.07068	13.3
69.44157	10.9
69.44579	4.7
71.04992	7.8
77.27316	1.9
79.05061	2.6
79.05495	34.0
81.03419	100.0
81.07054	39.3
83.04984	47.4
83.08619	36.0
84.96037	2.9
85.02890	4.5
85.06541	3.8
91.05488	35.2
91.49509	1.6
93.07052	22.6
95.04976	33.2
95.08622	18.4
97.02872	5.3
97.06520	6.5
97.10156	6.6
97.99190	3.3
98.97596	3.6
99.04445	4.9
99.08085	4.1
100.81670	1.7
105.07034	25.3
107.04962	7.8
107.08602	16.1
109.06522	6.8
109.10140	9.3
111.04484	2.8
111.08084	13.9
113.06023	3.1
115.05447	2.5
116.00201	4.2
119.08584	23.3
121.06470	2.8
121.10142	7.7
123.08051	6.9
123.11669	4.2
125.09637	5.0
127.03993	2.3
129.06973	12.0
131.08565	11.7
133.06474	4.9
133.10124	18.1
134.99660	1.9
135.11693	6.4
137.09607	5.0
145.10112	2.9
147.08061	2.4
147.11708	17.8
149.01215	2.2
149.09602	7.6
151.07579	1.9
151.11159	2.1
153.09074	2.5
155.08478	2.4
155.26053	1.6
157.10130	17.6
163.11230	1.9
165.12732	5.1
167.07072	2.6
167.10651	2.4
169.10071	1.9
175.11212	21.7
175.14883	4.0
179.06465	3.2
187.16980	1.8
191.03925	5.4
193.12257	62.9
193.15851	5.6
200.04388	6.9
211.07608	3.2
211.11336	2.2
211.13232	35.7
211.14622	2.4
211.16705	2.0
211.55115	4.6
216.88686	1.8
227.82262	1.8
229.07491	3.1
231.00552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	4.4
55.01857	6.8
55.05505	14.6
57.03423	6.1
57.07055	6.7
59.04986	6.7
65.03944	2.6
66.06658	1.7
67.05505	14.3
69.03435	16.3
69.07067	22.0
69.58746	16.9
71.04981	10.0
79.05493	16.6
81.03431	3.3
81.07059	33.6
83.04989	23.7
83.08626	14.8
85.02916	3.4
85.06548	9.1
91.05482	17.9
92.88783	1.7
93.07048	44.1
95.04980	23.6
95.08617	30.5
97.06531	14.2
97.10145	6.4
98.20757	4.2
99.04436	4.8
99.08098	19.2
103.05428	2.1
105.07037	22.6
106.04226	3.2
107.04930	5.9
107.08596	67.2
109.06519	19.2
109.10162	26.8
111.08092	13.6
116.20627	1.9
117.07010	2.9
119.08599	9.9
121.06517	15.9
121.10146	43.9
123.08077	21.5
123.11700	9.4
123.76615	1.9
125.05978	8.2
125.09621	27.3
131.08566	19.6
133.10132	30.4
135.08054	23.2
135.11684	11.1
137.09615	11.9
139.07526	6.7
139.11201	6.2
143.08531	2.6
143.51874	2.1
145.10146	6.6
147.11691	10.0
149.05974	7.1
149.09633	100.0
149.12183	3.1
149.13268	31.3
151.11203	48.8
151.26611	2.0
153.09108	21.2
154.09920	3.4
158.10866	2.6
163.11174	5.5
163.14836	25.6
167.14331	6.4
173.13260	28.3
177.05396	3.3
191.14301	47.7
208.05467	2.0
209.08051	4.2
209.15378	77.6
209.17365	4.4
229.44511	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	2.6
55.01872	12.3
55.05510	62.6
56.96547	2.1
57.03428	3.9
57.07060	6.4
59.04984	4.8
65.03918	3.1
67.05502	14.8
69.03435	9.3
69.07066	17.6
69.57766	12.0
69.75450	2.0
70.03745	1.6
71.04993	9.3
79.05491	16.2
81.03398	6.0
81.07054	27.2
83.04979	66.0
83.08623	34.0
85.02877	1.9
85.06543	5.6
86.82675	2.0
87.04464	3.0
91.05474	11.4
93.07040	24.0
95.04968	45.4
95.08603	18.0
97.06528	23.8
97.10168	7.4
99.04433	7.8
99.08073	3.3
103.05409	3.1
105.07030	21.5
106.04141	2.7
107.04960	8.5
107.08590	41.7
109.05793	3.9
109.06519	58.4
109.10158	27.4
111.04424	2.5
111.08086	14.4
112.08813	2.1
113.05972	2.0
117.07030	2.5
119.08578	11.4
119.26889	1.7
121.06514	12.3
121.10144	40.3
123.08049	12.6
123.11713	17.2
125.06041	2.1
125.09641	15.6
131.08566	11.2
133.10139	26.6
135.04417	2.3
135.08049	16.4
135.11678	7.1
137.09601	4.9
139.11191	1.9
145.06396	2.6
145.10104	9.4
147.11699	7.5
149.06013	8.9
149.09615	51.9
149.13203	11.4
151.11179	47.1
153.09096	25.3
153.10220	3.4
163.07510	2.3
163.11139	9.2
163.14888	9.1
165.12761	32.9
167.07045	3.2
167.14326	60.3
167.15776	3.0
173.13272	11.8
177.04124	2.5
177.05440	13.6
181.08583	2.6
191.07034	4.4
191.14301	33.0
197.05569	2.0
199.63983	2.0
209.04425	4.7
209.08005	10.8
209.09862	3.7
209.11710	6.2
209.15361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	3.2
55.01657	1.9
55.01871	20.4
55.05512	59.5
57.03437	4.3
57.07079	9.4
59.04990	2.8
65.03929	4.7
67.05216	2.0
67.05505	19.3
69.03446	9.9
69.07062	14.5
71.01366	2.4
71.04993	11.0
71.59674	3.2
73.73286	1.9
73.85566	1.9
74.96477	2.4
76.78807	2.0
77.53576	1.8
79.05491	18.9
81.03411	8.2
81.07053	28.8
83.04983	60.4
83.08619	32.1
85.02890	2.5
85.06511	6.0
91.05483	19.1
93.07033	36.5
95.04972	43.2
95.08612	23.6
97.02873	8.2
97.06499	12.2
97.10154	8.9
99.04456	11.0
99.08054	5.5
103.05462	5.6
105.07033	14.7
107.04930	8.4
107.08599	50.6
109.06520	87.5
109.10146	38.8
111.04436	8.3
111.08090	14.0
117.06998	6.9
119.08561	9.5
121.06518	11.9
121.10126	30.5
123.08095	10.8
123.11713	12.5
125.05985	23.0
125.09634	20.9
131.04877	5.8
131.08548	14.2
133.10141	18.6
134.03700	2.9
135.08051	31.8
135.11662	10.9
137.06036	3.5
137.09634	3.8
139.07510	5.2
144.85399	2.1
145.02870	5.5
145.10121	11.2
147.04355	2.3
147.08080	2.0
147.11734	3.4
148.54207	2.4
149.06007	11.7
149.09624	14.1
149.13257	15.9
151.11191	45.8
153.05440	6.3
153.09099	26.1
153.12694	3.9
163.03888	3.0
163.07616	2.6
163.11159	17.0
163.14819	9.7
165.12767	4.7
166.07829	2.3
167.07054	2.7
167.14317	54.0
173.09540	2.4
173.13287	13.9
176.04831	2.0
177.05467	15.3
179.08398	2.5
181.08566	2.4
191.07054	8.0
191.10663	5.5
191.14311	47.9
191.16034	2.9
201.89658	1.8
209.04422	9.4
209.08031	14.7
209.09778	4.5
209.11722	8.8
209.15366	100.0
210.15549	2.2
220.71005	1.9
225.61127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.59721	1.4
53.03954	1.5
55.01865	3.7
55.05516	12.6
57.03430	4.1
57.07058	4.1
59.04991	2.4
67.05503	9.9
69.03432	3.3
69.07063	8.4
70.06890	7.9
71.04989	3.7
72.25547	1.5
75.34076	1.2
79.05494	14.9
81.03417	2.4
81.07053	31.7
83.04984	11.5
83.08630	9.7
85.06545	3.6
87.07449	1.2
90.12492	1.4
91.05476	8.4
93.07041	21.7
95.04964	28.6
95.08595	13.4
97.06535	29.7
98.20844	1.7
99.04453	6.3
99.08086	3.2
103.05427	1.6
105.07032	14.6
107.04948	2.6
107.08596	27.8
109.06516	100.0
109.10161	23.2
111.04421	2.4
111.08058	6.8
117.07008	3.2
119.08589	6.7
121.06516	6.5
121.10146	25.3
123.08060	7.3
123.11689	3.3
125.05932	1.5
125.09626	4.7
128.36578	1.5
129.07063	1.9
131.08578	10.5
133.10133	39.0
133.11082	2.7
135.08060	12.8
135.11678	8.5
137.09590	3.0
143.08568	1.7
145.10146	7.2
147.11694	4.6
149.09586	10.6
149.13249	7.8
151.11209	10.2
153.09113	24.3
158.10893	3.3
163.07564	2.4
163.11189	7.9
163.14818	8.6
165.12796	1.6
167.14302	7.5
173.13266	18.5
177.05411	1.5
189.43898	1.6
191.10655	1.6
191.14323	25.1
209.08028	2.9
209.11844	2.0
209.15378	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.84792	2.3
53.03947	4.3
55.01868	6.5
55.05510	25.1
57.03432	7.9
57.07066	4.9
59.04985	7.4
65.03938	2.4
67.05502	17.8
69.03420	8.9
69.07056	20.6
69.79322	17.6
71.04983	8.5
79.05494	17.2
81.03374	4.0
81.07060	34.6
83.04981	36.6
83.08626	14.2
85.02885	3.0
85.06548	13.1
91.05486	19.3
93.07042	48.8
95.04969	26.7
95.08604	33.3
97.06551	16.5
97.10146	5.4
98.21496	3.8
99.04434	7.1
99.08083	30.0
102.72987	2.4
103.05481	2.8
105.07029	20.4
106.04154	3.5
107.04952	9.4
107.08597	61.7
109.06531	30.0
109.10144	29.1
111.04433	4.8
111.08073	12.3
116.06190	2.5
117.07049	2.7
119.08580	9.7
121.06487	21.1
121.09306	4.6
121.10138	57.7
123.08062	25.2
123.11701	10.2
125.06005	7.1
125.09637	20.9
131.08543	18.1
133.10126	31.7
135.08051	25.0
135.11685	10.5
137.09605	12.4
139.07552	7.0
139.11201	6.9
145.09021	2.5
145.10129	8.8
147.11673	9.0
149.05962	8.5
149.09613	100.0
149.13239	29.1
151.11185	57.7
153.09126	19.4
157.95279	2.6
158.10931	4.0
163.07506	3.5
163.11208	7.3
163.14827	20.4
165.12775	3.5
167.06978	3.0
167.14304	13.2
173.13249	30.1
177.05498	5.1
189.79564	2.5
191.10617	2.9
191.14325	46.8
201.53505	2.7
209.08090	6.5
209.15373	87.3
216.07826	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	3.2
53.12761	2.5
55.01867	6.4
55.05509	47.6
57.03430	3.8
57.07055	7.9
59.05002	4.4
59.68107	2.6
59.97583	2.6
61.79288	2.7
63.68581	3.3
65.03910	3.5
66.64055	2.7
67.05504	15.1
68.93671	3.7
69.03422	22.4
69.07059	18.7
70.10808	2.8
71.03947	6.6
71.04276	3.6
71.04985	8.1
72.35539	3.4
79.05489	18.3
81.03415	3.0
81.07066	25.6
83.04479	4.1
83.04978	53.4
83.08623	22.8
85.06538	9.2
91.05478	15.6
91.12807	2.8
93.07057	30.7
95.04977	32.3
95.08609	21.4
97.02891	4.2
97.06548	16.8
97.10186	14.3
99.04439	7.9
99.08093	13.2
105.07022	15.1
107.04945	7.6
107.08602	52.8
109.06510	34.1
109.10150	28.2
111.04393	6.2
111.08082	10.9
117.92075	2.8
118.56192	2.7
118.61182	2.9
119.08556	8.4
121.06487	8.9
121.10148	36.1
123.08056	9.4
123.11681	12.8
125.05992	9.0
125.09622	60.5
131.08563	13.4
133.10129	20.9
135.08035	16.1
135.11708	7.4
137.05986	4.2
137.09576	6.2
139.07487	4.3
145.10097	8.9
145.46664	3.3
147.11688	7.4
149.09619	80.6
149.13251	23.3
151.11183	62.0
153.09111	26.9
163.11220	7.9
163.14819	14.6
165.12663	6.3
167.07083	14.5
167.10727	3.7
167.14323	29.3
173.13313	16.4
177.05472	4.6
177.09116	7.1
182.68466	2.9
191.07001	4.9
191.10683	3.7
191.14304	42.0
199.32669	2.9
209.08070	5.8
209.11743	9.7
209.15369	100.0
209.17360	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01856	2.7
55.05509	28.2
57.07072	5.5
59.05004	3.8
60.52138	2.0
67.05497	11.7
68.99770	2.4
69.03429	19.4
69.07073	17.3
70.83829	4.4
70.84203	4.6
71.04980	4.3
79.05487	10.3
81.07061	17.5
83.04993	33.9
83.08627	15.1
84.50159	2.0
85.06538	9.2
91.05463	8.6
93.07030	23.6
95.04971	15.1
95.08617	24.4
97.06520	9.0
97.10193	16.7
99.04487	3.5
99.08087	13.8
105.07007	12.3
107.08604	52.7
109.06520	23.1
109.10157	23.0
111.04411	3.4
111.08078	10.4
113.06016	3.7
119.08585	6.8
119.73978	2.4
121.06514	6.8
121.10147	36.9
123.08083	7.3
123.11699	9.4
125.06023	4.7
125.09635	84.8
127.37881	2.2
130.83784	2.2
131.08588	11.5
133.10144	16.7
135.08047	18.5
135.11682	7.2
137.09604	5.2
139.07524	5.7
139.11140	5.1
145.10126	4.2
147.11665	8.2
149.09624	97.2
149.13260	21.7
151.11186	57.2
153.09106	26.2
154.09796	4.2
163.14839	18.7
164.36163	2.9
165.12721	5.4
167.10609	3.7
167.14386	11.3
173.13239	13.0
191.14307	53.3
198.50089	2.5
209.12112	3.9
209.15367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	3.7
55.01868	11.5
55.05261	2.8
55.05511	32.2
56.04752	1.5
56.96556	2.7
57.03429	5.1
57.07084	8.5
59.04988	2.8
60.49018	1.6
65.03936	3.9
67.05502	14.0
69.03427	100.0
69.07071	17.6
69.45676	13.5
71.04993	15.1
79.05489	27.8
79.16015	1.6
81.03403	4.9
81.07049	23.0
83.04978	38.4
83.08621	26.2
84.08151	2.4
85.02894	3.0
85.06533	6.8
91.05476	21.0
93.07043	39.6
94.07381	1.5
95.04954	30.0
95.08611	20.4
97.06534	13.5
97.10164	3.6
98.97559	2.3
99.04433	7.4
99.08075	3.8
101.06038	1.5
103.05476	4.3
105.07028	21.3
107.04968	10.5
107.08595	82.3
108.08909	1.7
109.02851	3.8
109.06518	24.8
109.10162	19.9
111.04471	3.8
111.08083	10.8
116.98658	1.4
117.07003	7.5
119.04967	3.7
119.08574	15.7
121.06512	26.7
121.10143	54.2
123.04460	2.3
123.08066	10.2
123.11686	14.1
125.06001	4.3
125.08759	2.7
125.09629	46.2
128.02359	1.8
131.04953	5.0
131.08560	50.5
133.10135	21.7
135.04373	3.3
135.08073	15.3
135.11685	10.7
137.05966	5.1
137.09625	3.2
139.07472	2.9
139.11179	2.2
141.05470	1.9
145.06528	3.6
145.10141	20.1
147.04433	5.7
147.07974	2.1
147.11673	9.3
149.05963	5.6
149.09618	47.2
149.13246	12.6
151.06139	1.7
151.07533	2.8
151.10112	2.8
151.11203	25.4
153.05489	9.1
153.09105	15.2
158.10843	3.1
161.01213	2.5
161.13350	2.3
163.07510	6.9
163.11169	16.5
163.14825	10.7
165.05565	1.6
165.09090	2.8
165.12714	4.1
167.07034	16.0
167.10728	3.5
167.14308	38.7
173.09599	2.3
173.13248	20.7
177.05527	7.7
181.04945	8.6
181.06331	1.5
191.07010	8.7
191.10675	20.7
191.14302	46.4
204.57986	1.8
209.04427	6.4
209.07851	9.8
209.09819	3.2
209.11783	30.2
209.15367	87.1
210.15910	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03952	2.4
55.01877	20.7
55.05512	74.3
56.96552	4.7
57.03438	3.4
57.07075	10.8
59.04983	4.9
62.42445	2.1
66.80221	2.0
67.05225	1.9
67.05502	23.7
69.03082	1.9
69.03427	26.2
69.07080	15.6
69.66426	7.4
69.66849	6.8
71.01330	2.1
71.04997	10.9
71.08603	4.0
77.00898	2.9
79.05481	17.6
81.03413	4.4
81.07055	34.4
83.04980	83.2
83.08619	39.5
85.02929	2.0
85.06525	7.5
91.05480	20.5
93.07054	31.0
95.01916	3.3
95.04965	36.1
95.08611	25.4
97.02874	4.3
97.06552	13.6
97.09603	2.1
97.10137	11.4
97.62241	2.4
99.04437	6.2
99.08073	6.5
103.05447	6.3
104.39713	2.0
105.07033	12.4
105.29263	1.9
107.04964	7.4
107.08599	49.0
109.06517	36.1
109.09456	3.4
109.10161	39.4
111.04458	4.6
111.08080	13.9
113.09620	3.5
117.03380	6.2
117.06996	3.5
117.96004	3.7
118.03481	2.3
119.08565	9.4
121.06504	12.8
121.10148	27.4
123.08024	6.7
123.11691	15.2
125.05990	3.2
125.09624	32.6
125.60223	2.0
126.05986	2.9
131.04939	6.5
131.08540	9.9
133.06706	3.7
133.10124	23.2
134.03618	2.4
135.04338	3.2
135.08038	16.3
135.11667	7.4
136.08727	2.1
137.06004	3.0
137.09599	4.3
137.13165	2.2
145.02837	3.5
145.10114	10.3
147.11659	7.0
148.05177	3.2
148.07564	2.4
149.06017	14.6
149.09618	18.4
149.13235	17.3
151.07594	2.3
151.11176	60.7
153.05502	3.5
153.09134	13.5
159.10162	6.1
163.03915	3.3
163.07477	4.6
163.11226	10.1
163.14912	5.2
165.12698	4.7
166.07764	2.6
167.08508	2.4
167.14314	84.7
168.10733	10.2
168.60797	3.5
171.11180	3.4
173.13196	17.3
177.05475	26.1
177.11250	16.5
177.61397	4.8
178.08653	5.5
179.61472	7.4
181.08578	3.2
186.11784	11.3
186.61797	2.9
188.62019	7.5
191.07008	8.5
191.10725	3.4
191.14311	39.7
194.05780	2.5
209.04428	9.8
209.08034	20.4
209.09784	4.5
209.11754	9.0
209.13663	4.2
209.15349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.50344	2.3
53.03938	4.2
55.01876	16.8
55.05266	3.7
55.05509	55.4
56.96561	19.4
57.03425	8.4
57.07062	9.1
59.05005	19.5
65.03909	3.2
67.05504	25.7
69.03427	20.6
69.07079	23.8
70.01041	11.5
70.06576	3.5
71.04976	11.6
73.02952	2.4
79.05502	29.9
81.03408	4.0
81.07059	49.5
83.04980	49.6
83.08625	28.7
84.08154	4.7
85.02879	5.9
85.06539	5.9
89.06025	6.1
91.05481	29.4
93.07051	41.6
95.04971	58.6
95.08610	33.6
97.02882	6.7
97.06539	29.2
97.07627	2.5
97.10149	4.8
98.21480	4.5
98.97569	9.4
99.04450	14.5
99.08073	4.7
103.05477	6.5
103.07548	5.3
105.07028	43.2
107.04946	7.2
107.08593	69.2
109.06519	87.2
109.10160	45.6
111.08097	14.0
113.06001	8.3
116.98628	8.1
117.03336	2.9
117.07031	13.1
119.01803	4.1
119.04901	3.0
119.08595	20.3
121.06490	10.8
121.09320	5.3
121.10146	83.0
123.04401	4.4
123.08083	16.7
123.11697	15.5
125.05998	4.5
125.09643	20.8
126.83249	2.4
127.07545	2.5
128.02269	5.4
129.06995	7.8
131.04938	4.6
131.08568	45.8
133.10141	51.7
135.04378	3.7
135.08029	20.4
135.11705	14.0
136.05150	2.8
137.02849	4.2
137.05951	7.2
137.09593	7.7
139.07582	3.1
139.11198	2.9
143.08553	6.1
144.09352	3.5
145.06564	3.0
145.09180	3.6
145.10141	29.4
147.08014	3.7
147.11661	9.7
149.02362	4.6
149.05952	10.6
149.08510	3.2
149.09645	25.1
149.13281	17.9
151.03809	3.0
151.11191	36.0
153.05453	4.1
153.09096	27.1
158.10829	5.3
161.04791	2.6
161.13254	10.6
161.55264	2.6
162.09132	2.6
163.03923	6.2
163.07643	6.5
163.11169	7.1
163.14841	25.3
165.12694	5.2
167.03378	3.0
167.07062	17.4
167.14313	44.3
173.13263	47.6
176.55374	10.5
177.05467	18.4
177.09081	4.6
181.04990	3.1
185.05745	4.8
185.55869	9.5
189.04282	3.9
191.07016	7.0
191.10655	13.5
191.14311	55.7
194.02126	5.9
207.19156	2.6
209.04460	17.2
209.06253	3.9
209.08014	10.0
209.09868	5.8
209.11839	8.7
209.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.01596	0.4
51.02375	0.9
51.05721	0.4
53.03939	3.3
55.01873	17.0
55.05511	40.0
57.03435	5.6
57.07071	2.5
59.05006	0.5
65.03934	3.7
66.93514	0.4
67.05505	46.3
68.05849	0.6
69.03431	5.4
69.07068	19.1
71.04997	5.9
71.32425	0.8
73.02914	5.0
74.88169	0.5
77.03931	0.6
79.05492	69.5
80.05822	0.6
81.03421	7.6
81.07056	52.0
83.01337	1.3
83.04982	13.8
83.08615	22.6
85.02918	0.6
85.06545	1.7
91.05480	24.9
93.03405	1.0
93.07043	92.8
94.07323	0.8
95.04973	20.4
95.08604	100.0
96.08933	0.5
97.02894	9.3
97.06526	9.2
97.10164	2.0
99.04457	10.7
99.08090	1.0
103.05463	4.2
105.04500	1.4
105.07027	19.5
107.04956	24.2
107.08591	64.2
108.08892	0.8
109.06520	5.2
109.10152	6.4
111.04443	4.1
111.08066	3.1
113.06009	1.4
113.09673	1.0
115.05447	1.7
116.06221	1.3
117.07012	22.3
119.08582	20.4
119.09446	0.8
121.05639	0.9
121.06503	14.3
121.10141	25.5
123.08065	1.1
123.11710	0.8
125.05987	5.6
125.09625	1.3
127.07599	1.0
128.06253	1.0
129.06993	1.2
130.07787	6.5
131.04959	1.1
131.08565	1.5
133.06422	0.5
133.10136	6.5
134.07353	0.4
135.08090	5.8
135.11690	90.0
136.12027	1.0
139.03725	0.5
139.07529	3.2
139.11192	0.5
143.08557	2.5
145.02797	0.6
145.06465	1.4
145.10118	59.3
146.10439	0.7
147.08099	0.7
148.05182	1.2
149.05974	1.6
149.09660	0.5
149.13228	0.7
151.11137	2.1
153.09076	0.7
153.12752	1.3
155.08562	1.1
159.04370	0.7
163.11179	85.7
164.11542	0.7
167.06998	0.7
167.14330	3.0
173.09601	1.9
173.13228	0.5
176.04729	0.6
177.05476	4.0
181.12227	7.5
191.07150	0.5
191.10652	0.5
191.14311	1.3
194.05798	0.5
209.04527	0.6
209.08044	3.7
209.09766	0.6
209.11644	0.7
209.15329	4.2
227.12798	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.35371	3.0
52.80222	2.6
52.96095	2.9
53.03933	3.8
55.01859	5.7
55.05507	15.0
57.03441	4.2
57.07056	3.9
59.10374	2.7
59.89808	2.9
65.03937	3.2
67.05511	27.8
69.03447	17.5
69.07061	10.2
69.45631	28.7
69.45974	5.9
71.04987	3.2
79.05493	13.8
80.18221	2.8
81.03410	5.3
81.07063	24.6
83.04967	11.4
85.02887	6.5
85.06538	3.7
91.05490	23.9
93.07041	21.7
95.04957	13.1
95.08610	50.9
97.06527	7.2
98.20808	7.2
103.05450	3.0
105.06391	4.9
105.07037	69.8
107.04938	7.0
107.08601	37.9
109.06524	32.8
109.10171	26.5
111.08067	10.9
113.06007	3.3
117.06999	8.3
119.04928	4.4
119.08589	68.9
121.06547	16.0
121.10153	34.6
122.07288	5.8
123.04446	6.4
123.08071	36.9
123.11719	5.2
131.08560	9.3
132.05777	4.0
133.06483	10.5
133.10100	14.4
135.08046	6.2
135.11646	3.8
137.09627	94.5
139.07527	9.8
143.08586	9.5
145.10091	6.9
147.08047	20.7
147.11694	45.6
149.05566	4.8
149.09625	57.8
151.07559	12.9
156.09303	7.2
161.09630	8.9
161.13287	52.6
163.11154	10.1
165.07469	5.5
165.09120	6.4
165.12737	13.4
171.11676	13.2
174.10370	6.2
175.03865	3.3
177.12740	4.8
178.09453	23.9
189.09137	6.7
189.12755	57.5
207.06494	5.2
207.10153	9.2
207.12154	7.5
207.13818	100.0
224.83722	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.78439	1.1
53.03936	5.2
55.01858	3.0
55.05518	8.5
57.07053	1.2
65.03931	1.3
67.05509	29.7
69.03411	3.5
69.07060	6.1
69.85567	7.2
71.04977	2.9
77.03899	1.6
79.05494	50.8
81.03417	1.9
81.06578	1.7
81.07056	26.6
83.04964	4.2
83.08611	4.0
85.06533	3.7
87.04443	1.1
91.05483	48.8
93.07047	100.0
95.04977	15.0
95.08607	9.6
97.06516	2.3
97.10174	1.9
101.47069	1.1
105.04483	2.8
105.06393	1.8
105.07043	27.6
107.04927	2.3
107.08588	11.1
109.06517	5.5
115.96403	1.2
117.07022	5.9
119.08564	14.8
121.06520	2.8
121.10128	3.1
123.08041	6.1
123.88341	1.4
127.07519	2.1
128.06250	1.9
129.07008	10.7
131.08545	2.2
131.18332	1.3
133.06432	1.7
133.10132	7.2
135.08043	2.1
135.11691	1.7
143.08563	7.1
145.10120	8.6
147.08037	3.3
147.11688	49.1
149.09639	2.4
151.07509	1.4
161.09624	5.5
161.13257	10.6
163.03862	2.1
165.09090	3.6
171.11687	24.3
179.07030	1.6
189.12752	16.4
189.78226	1.2
192.04016	1.3
207.06499	4.5
207.11873	2.6
207.13802	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.6
55.01866	2.8
55.05515	8.0
56.96563	1.9
57.03429	3.1
57.07063	3.9
59.04985	3.9
61.02916	1.9
65.03944	2.1
65.73162	1.2
67.05167	1.7
67.05503	19.6
69.03432	17.9
69.07070	9.9
71.04988	9.6
79.05497	12.3
81.03390	2.4
81.07063	17.6
83.04981	7.8
85.02900	7.3
85.06546	4.4
91.05482	21.8
93.07049	21.6
95.04971	9.0
95.08610	45.5
97.02927	1.3
97.06555	6.9
98.97588	1.4
100.02182	2.5
101.02990	3.4
103.05471	2.1
105.07034	37.3
107.04952	2.3
107.08598	34.9
109.06517	17.2
109.07668	1.6
109.10165	11.0
111.08072	3.8
113.06010	3.5
115.05452	3.0
117.07008	3.6
119.04961	6.9
119.08580	43.8
120.08097	3.2
121.06517	11.9
121.08436	8.2
121.10140	22.2
122.07248	1.4
123.04459	2.4
123.08071	36.7
123.11694	6.0
124.07458	1.3
125.06008	1.6
125.09633	1.9
126.92967	1.4
128.06210	1.3
129.07028	2.8
130.07741	2.0
131.04857	1.3
131.08598	8.7
133.06502	11.8
133.10133	16.4
135.08063	10.0
135.11662	7.9
137.05995	6.2
137.09618	28.0
137.13252	2.0
139.07524	2.5
142.25648	1.4
143.08530	6.5
145.10139	10.2
146.10860	1.6
147.04442	1.9
147.06343	2.4
147.08061	15.0
147.10519	1.9
147.11688	32.8
148.02502	8.4
149.09619	81.4
150.09964	2.2
151.07529	8.7
151.11238	1.6
151.14839	1.4
153.09052	3.2
156.09357	6.0
159.08066	3.0
159.11696	5.0
160.08778	1.7
161.06010	2.7
161.09641	6.9
161.13268	33.6
163.07561	1.7
163.11198	19.3
165.05486	1.8
165.09126	4.7
165.12782	11.1
171.11636	10.2
172.53569	2.3
174.10384	5.1
175.03893	1.6
177.00742	2.5
177.12706	1.7
179.06963	2.7
179.14311	3.2
189.07478	2.3
189.09058	6.0
189.12747	40.2
198.59462	3.2
207.06624	6.0
207.08383	2.3
207.10263	7.3
207.13812	100.0
208.14055	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.49071	1.6
53.03958	2.3
55.05521	13.7
56.96569	1.7
57.03446	3.7
57.07058	4.0
59.04992	6.2
62.49958	1.7
65.03935	2.0
67.05504	18.0
69.03120	1.9
69.03438	21.6
69.07079	9.4
71.04987	5.5
79.05495	12.5
81.03404	2.9
81.07060	20.5
83.04999	8.3
83.71087	1.7
85.02900	12.3
85.06547	2.2
91.05466	19.5
93.07047	21.4
93.18093	1.7
93.60297	1.7
93.75304	1.7
95.04984	10.3
95.08056	2.9
95.08614	38.7
97.06531	5.8
98.97573	3.2
99.04440	3.2
103.05483	2.8
105.07032	42.3
107.04947	2.7
107.08609	38.0
109.06531	17.5
109.10142	10.7
111.08049	4.8
113.05982	2.5
116.98647	1.9
117.07005	7.0
119.04968	3.8
119.08584	47.8
120.08038	2.0
121.06516	28.7
121.08447	3.2
121.10140	21.1
123.08083	36.3
123.11720	6.6
125.09621	2.6
129.06979	5.0
130.99728	1.7
131.08575	7.9
133.06511	21.5
133.10135	17.0
135.08066	10.4
135.11719	5.9
137.05981	5.3
137.09616	36.2
139.07587	4.4
143.08568	6.5
145.10179	9.8
147.04454	3.4
147.08069	15.9
147.11693	35.6
148.02505	3.7
149.09625	81.9
151.07553	9.4
153.09103	3.5
156.09325	4.6
159.08070	2.7
159.11702	4.1
161.09592	6.2
161.13258	28.5
163.11191	44.3
165.09206	3.0
165.12753	13.6
171.11658	12.2
174.10400	5.5
175.03957	2.0
177.00690	3.1
179.14293	3.8
189.09152	4.2
189.12749	41.0
207.06601	6.1
207.10240	4.4
207.13815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.8
55.05509	7.8
57.03475	1.0
67.05516	1.3
69.03448	1.7
69.07097	1.0
70.85975	1.2
71.05016	0.8
79.05497	3.2
81.03454	1.1
81.07066	1.0
83.05028	0.6
83.08651	0.7
91.05482	5.7
92.06271	0.9
93.07079	2.6
95.04999	1.6
95.08666	1.3
97.02899	6.7
97.06536	0.7
98.03233	11.2
98.97559	0.6
100.11288	2.1
105.03355	0.8
105.07029	3.1
106.04177	0.7
106.06566	8.0
107.04961	15.2
107.08613	1.7
116.13677	0.6
119.01899	0.7
119.05013	1.7
119.08629	2.4
120.05805	1.3
121.06517	6.6
121.10170	1.0
123.04433	22.9
123.05321	1.2
123.08067	1.1
128.04234	0.8
131.08569	4.6
133.06523	2.2
133.10126	1.8
133.11736	0.7
133.61943	0.9
134.03659	2.3
134.06023	13.1
134.06979	1.3
134.10628	0.8
135.04427	16.6
135.06808	5.7
135.08015	1.3
137.09677	1.0
140.04266	1.5
144.05676	0.7
145.10149	0.8
147.04419	12.7
147.11702	1.4
148.05199	42.2
149.06024	4.3
149.09613	6.8
150.02670	1.6
151.07603	0.7
152.07085	1.5
158.91792	0.6
159.07985	3.8
160.07501	0.8
161.09697	0.9
161.13277	2.7
164.07072	44.5
165.07449	0.9
167.16273	0.7
168.13924	1.1
174.87271	0.6
176.08368	4.0
177.09116	100.0
178.09419	2.2
188.10539	1.8
189.09091	5.8
189.12741	2.3
191.14319	1.7
206.04422	0.7
206.08151	1.1
206.11757	29.9
206.17009	1.6
207.06468	0.8
207.13760	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	5.8
55.01850	2.3
55.05496	7.7
56.96562	4.0
57.03438	2.4
57.07073	2.4
60.98964	2.4
67.05512	20.6
69.03147	2.4
69.03438	25.7
69.07048	8.3
71.04967	7.4
71.56347	3.0
73.06535	4.0
79.05479	23.7
81.03403	5.5
81.07054	26.8
83.04945	7.3
83.08604	4.1
85.02880	4.4
86.12826	2.1
91.05474	36.8
93.06477	3.1
93.07045	43.3
95.04966	14.4
95.08052	3.6
95.08611	43.4
97.06512	7.5
99.04429	2.6
100.36547	2.0
103.05479	5.9
105.07030	40.1
106.33344	2.4
107.04970	3.6
107.08600	25.7
109.06516	14.3
109.10156	10.5
111.08037	4.4
112.62125	2.0
115.96430	5.7
117.07011	7.0
119.04923	8.2
119.08580	40.1
120.08116	2.4
121.06495	7.5
121.10143	17.5
123.04398	4.9
123.08052	24.7
123.11686	7.9
125.05976	7.6
125.09548	3.1
128.06212	3.3
129.06978	7.3
131.04942	4.2
131.08560	6.2
133.06485	6.2
133.10144	15.0
133.97496	3.6
135.08047	5.2
135.11700	5.5
137.05988	4.3
137.09624	12.4
143.08514	8.3
145.10182	13.2
147.04391	8.3
147.08060	15.3
147.11687	39.1
149.09633	29.4
151.02907	2.7
151.07527	13.4
151.11139	3.1
155.06036	2.5
156.09364	4.8
159.11684	3.8
161.01251	2.7
161.06000	5.6
161.09610	6.6
161.13278	42.9
162.00145	2.2
163.11212	17.1
165.07890	2.6
165.09132	9.7
165.12820	11.5
171.11652	11.3
174.10384	4.0
175.03978	4.5
179.07181	5.1
179.14326	3.6
189.09143	6.4
189.12741	37.2
189.16376	4.6
192.04236	4.3
192.14680	2.7
207.02988	3.3
207.06444	19.8
207.08347	3.8
207.10086	14.8
207.13808	100.0
207.17229	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03922	1.0
55.05512	7.7
56.96572	4.6
57.07081	6.2
65.03927	2.6
67.05505	9.8
69.03413	1.0
69.06721	1.4
69.07069	19.7
70.98097	1.0
71.03443	1.0
71.03774	1.6
71.08628	1.4
77.68353	0.8
79.05492	12.2
81.03391	0.9
81.07060	46.6
83.08624	5.9
85.02887	1.7
88.99173	1.2
91.05473	6.6
93.07047	42.4
95.08613	32.0
97.02917	5.1
97.10168	5.6
105.07017	3.8
107.08595	28.7
109.02878	3.3
109.10162	25.0
111.11692	3.2
113.96408	1.4
119.08578	1.7
121.02842	1.7
121.10148	100.0
122.10451	1.8
123.11716	12.8
127.03912	1.3
131.97429	2.3
133.10135	1.7
135.10071	1.1
135.11697	21.3
137.13249	1.3
147.11703	1.3
149.02351	24.1
149.13261	39.8
150.02635	1.3
159.11626	1.5
163.11137	0.9
163.14842	4.2
179.32532	0.8
181.63382	0.9
183.10390	1.1
192.10796	0.9
205.12262	2.3
205.15874	1.2
205.19514	36.3
206.19762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03947	2.5
55.01880	1.6
55.05515	5.5
57.07080	11.4
60.04525	0.9
65.03941	5.3
65.26678	0.8
65.31432	0.7
67.05503	7.1
69.03424	2.9
69.05347	0.9
69.07075	10.2
71.04990	1.1
71.09065	0.8
71.57204	1.5
72.93785	4.7
73.02918	1.0
79.05495	10.1
81.03424	5.2
81.07059	47.6
83.08622	2.6
84.04507	1.2
85.02901	5.9
85.04841	1.2
90.94840	1.3
91.05485	7.9
93.03405	2.0
93.07044	38.8
95.04970	2.1
95.08620	19.7
97.02893	21.8
97.04840	1.2
97.06528	1.0
97.10175	3.4
98.03259	1.3
99.04459	3.5
105.07033	5.3
107.04978	0.9
107.07870	1.4
107.08596	25.2
107.09303	1.8
109.02877	14.2
109.06518	1.1
109.10161	13.6
111.04478	0.9
111.11697	1.2
113.96410	6.2
117.07048	1.4
119.08585	3.7
121.02876	10.8
121.03957	1.9
121.06519	2.7
121.10149	100.0
122.10493	1.6
123.08096	1.5
123.11709	6.8
126.05525	1.0
127.03905	3.5
127.05861	2.9
131.08559	2.8
131.97435	9.5
135.08072	1.7
135.11699	13.1
137.13234	1.2
139.03902	1.2
145.04979	1.3
145.06795	0.9
145.10123	4.7
149.02347	93.9
149.05920	1.8
149.13264	28.0
150.02698	2.1
154.99045	3.1
159.11716	3.7
161.13232	1.1
163.11127	1.5
163.14824	2.6
167.03424	2.7
173.53680	0.9
177.12766	3.0
187.11197	1.0
187.14792	4.8
190.05043	2.9
191.14429	0.9
205.05023	1.3
205.08781	4.1
205.12285	7.3
205.14195	1.7
205.15921	5.4
205.19514	17.6
206.04594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03940	1.6
53.92026	0.6
55.01855	1.0
55.05517	4.4
57.07076	10.0
60.04522	1.0
62.28692	0.6
65.03932	5.2
67.05505	4.9
69.03426	2.4
69.06730	0.8
69.07073	9.0
69.50392	6.2
71.04968	0.9
72.93784	1.0
79.05490	6.3
81.03413	2.8
81.07064	27.3
83.05051	0.7
83.08620	3.0
85.02890	1.7
91.05477	3.0
93.03400	1.7
93.06468	1.5
93.07048	25.2
95.04951	0.9
95.08612	16.7
97.02885	8.3
97.10165	3.3
98.03729	0.7
99.04455	2.1
104.86474	0.7
105.07030	3.3
107.08592	13.8
109.02884	5.2
109.10159	14.2
111.04426	1.4
111.11706	1.0
113.42110	0.7
113.96428	2.1
117.06986	1.0
119.08593	1.4
121.02872	11.0
121.03972	1.8
121.06538	1.4
121.10150	61.0
122.10484	0.7
123.11729	7.0
127.03910	2.1
127.05855	1.4
131.08572	1.2
131.50192	0.7
131.97430	2.2
135.11700	10.8
142.99466	0.7
145.10178	1.9
149.02351	100.0
149.09737	0.9
149.13264	21.1
150.02692	4.6
154.98988	1.0
159.11739	1.2
163.11209	0.9
163.14842	2.5
167.03401	2.1
177.12724	1.4
187.07713	0.7
187.11281	1.0
187.14804	0.7
190.05008	2.0
191.14297	3.7
205.08850	2.0
205.12289	4.2
205.14076	1.2
205.15985	1.2
205.19577	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	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.00305	0.5
53.03946	0.8
55.01858	1.1
55.05507	2.2
56.96558	2.0
57.03438	1.0
57.07080	5.0
59.05004	0.8
60.04512	1.2
64.75913	0.5
65.03938	1.7
67.05497	3.1
69.03423	3.0
69.07060	2.1
71.04992	21.7
71.58907	0.7
79.05489	3.1
80.28833	0.5
81.03428	3.7
81.07056	9.2
83.04943	0.6
83.08605	0.8
84.04490	1.0
84.50542	0.5
85.02900	4.7
85.06525	0.9
87.04471	0.8
91.05486	7.0
93.07048	10.2
95.04977	2.6
95.08609	16.0
97.02900	11.9
97.06508	1.5
98.03208	0.7
99.04451	1.9
99.08080	1.7
99.89974	0.5
103.05456	1.9
105.07031	30.0
107.04956	0.6
107.08603	9.5
109.02880	6.9
109.06502	2.4
109.10162	2.5
111.08088	2.3
113.08875	0.9
113.09647	15.9
115.05387	2.3
116.05290	0.7
116.06201	0.5
117.07036	5.5
119.07784	0.9
119.08587	12.4
121.02896	2.4
121.03999	0.5
121.06494	2.7
121.10146	8.9
123.08081	1.4
123.11715	0.7
126.05544	0.7
127.03918	3.5
127.05813	0.6
129.07059	1.1
130.07832	0.6
131.04912	1.1
131.08572	12.6
131.97375	0.6
133.10187	1.7
135.08076	0.9
135.11719	2.3
137.05986	2.3
141.50821	0.5
142.03438	0.7
143.08479	0.9
145.06485	4.3
145.10133	22.3
145.11296	1.1
147.08000	1.2
147.11690	34.0
149.02350	25.9
149.06021	0.7
149.09599	1.8
150.45656	0.5
159.11687	8.7
161.13242	4.6
163.07503	1.7
163.11154	2.6
163.14816	3.2
167.03473	0.9
172.08891	0.6
173.06026	0.8
175.07582	1.0
177.09180	1.3
177.12718	4.1
177.16409	0.8
187.11209	2.7
187.14822	35.5
188.15166	0.5
190.05164	0.6
205.04970	2.1
205.08708	3.8
205.12241	6.7
205.15883	100.0
206.16185	1.7
222.95868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.23840	0.5
58.40082	0.5
64.22584	0.5
70.77449	0.4
70.96584	1.4
74.02449	1.6
78.74406	0.5
91.05477	0.8
111.17977	0.5
114.58935	0.4
115.05450	1.4
117.05766	0.6
117.07008	2.0
118.06544	29.7
119.88742	0.5
125.12980	0.5
130.06535	3.0
132.08093	9.8
142.06544	3.5
143.07292	4.6
144.04370	0.6
144.07196	0.3
144.08090	18.9
146.06015	100.0
147.06311	1.2
159.09183	9.9
160.07608	1.0
170.06029	7.6
188.07074	89.7
189.07426	1.2
205.09691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03937	1.8
55.01857	2.0
55.05498	4.2
57.03436	1.3
57.07059	3.2
59.04988	1.2
60.04508	2.2
65.03938	1.1
67.05502	1.8
69.03429	12.5
69.07071	7.6
70.99203	2.1
71.01349	1.4
71.04972	1.2
74.62228	0.8
79.05489	6.5
81.03395	3.3
81.07041	3.3
83.04964	3.1
85.02888	4.1
87.74769	0.9
91.05490	15.0
93.07050	10.3
95.04971	4.2
95.08604	2.5
97.02896	6.3
97.06522	1.9
99.04434	2.4
103.05449	3.7
105.07033	35.9
107.04955	3.1
107.08612	9.5
109.02911	4.9
109.06490	2.8
109.10147	1.2
115.05448	2.1
116.06169	1.3
117.07018	13.6
118.06562	2.0
119.08585	55.1
120.08109	4.1
121.02878	2.5
121.06517	9.3
121.10139	3.5
123.08044	1.8
124.28808	0.9
125.05997	1.5
127.03883	2.6
128.06216	1.4
129.07010	8.1
130.07768	3.0
131.04883	1.6
131.08566	18.5
131.81616	0.8
133.06523	1.7
133.09146	1.2
133.10133	18.4
135.04425	5.3
135.08064	11.1
135.11694	4.1
137.05951	1.9
142.07761	1.7
143.08549	2.5
144.09346	18.0
145.03938	3.1
145.06476	4.9
145.10121	10.8
146.06055	1.7
146.07198	1.6
147.08052	4.3
147.11803	0.9
148.74075	1.0
149.02332	15.3
149.05992	12.4
149.09650	2.8
157.10139	2.7
159.08023	3.8
159.11697	100.0
160.00162	1.0
160.08708	1.2
160.12039	1.8
161.06042	1.4
161.09610	10.4
161.13246	21.1
162.10410	1.1
163.07573	6.6
163.11172	9.2
169.10101	1.1
172.08844	4.9
175.07582	1.2
177.09171	1.0
177.12761	11.9
187.11188	32.8
188.07069	1.2
190.09872	2.4
205.06117	3.0
205.08855	2.7
205.12241	87.1
206.12546	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	205.1223
Annotation	3',4',5,6,7-Pentahydroxyflavone
Peak:m/z	Relative Intensity
50.54052	1.1
53.03937	2.5
55.01871	1.2
55.05493	3.5
56.96542	1.9
57.03419	2.1
57.07076	5.1
60.04519	3.0
61.02918	1.3
65.03931	1.6
67.05497	3.2
69.03424	6.4
69.07081	2.6
69.29214	12.7
70.12632	0.9
71.04973	1.9
73.02908	2.0
79.05487	2.5
81.03413	6.3
81.07047	3.4
83.05009	1.2
85.02914	5.7
85.13115	1.1
89.18372	1.0
91.05476	8.6
91.27410	0.9
93.03394	1.3
93.07028	5.3
93.45393	1.0
95.04962	2.6
95.08604	2.0
97.02892	17.5
98.03279	1.1
99.04479	6.0
103.05478	1.6
105.07033	61.1
106.07421	2.0
107.08574	3.9
109.02875	11.3
109.06522	1.2
109.10179	1.6
111.04411	1.4
115.05433	2.4
116.06173	1.4
117.07029	11.6
119.08578	33.7
120.31437	1.0
121.02866	4.1
121.06496	9.7
121.10133	3.4
127.03908	6.1
127.05858	2.8
128.06174	1.3
129.06998	4.1
130.07776	2.9
131.04942	2.3
131.08592	13.0
133.10107	4.8
135.08058	3.0
135.11685	2.4
137.06000	1.9
142.07762	1.2
143.08557	1.6
144.09344	11.4
145.06483	7.1
145.10135	8.5
146.06012	1.9
147.11630	2.6
149.02345	35.1
149.03484	1.8
149.05981	18.7
149.09581	2.2
149.13249	1.6
150.02644	1.3
152.93903	1.3
157.10146	2.6
159.08122	2.8
159.11691	100.0
160.12077	1.6
161.09663	1.8
161.13287	7.0
163.07523	6.7
163.11208	4.5
172.08823	2.0
173.06059	1.2
177.09084	1.1
177.12741	9.5
187.11185	5.8
187.14833	1.6
192.53673	1.1
205.06911	1.7
205.08807	5.5
205.12270	37.4
205.14096	1.7
205.15918	4.1
206.08116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62588	0.6
53.03944	4.1
55.01871	5.0
55.05505	2.0
56.21326	0.7
56.96547	1.1
57.03415	2.7
57.07066	2.1
59.05014	0.9
59.71278	0.7
60.04524	1.2
61.02922	1.0
65.03922	0.8
67.05501	2.6
69.03424	9.7
69.07051	1.5
70.15234	3.7
71.05010	4.2
73.02011	0.7
73.02918	3.9
79.05487	2.8
81.03422	22.3
81.07050	1.7
83.04967	0.9
85.02909	6.8
87.04478	1.1
91.05481	7.0
91.11122	0.6
93.07026	3.2
95.04967	1.6
95.08615	1.1
97.02892	100.0
98.03233	1.0
99.04456	24.6
103.05430	0.9
105.06392	0.8
105.07040	8.0
107.04955	1.7
107.08593	5.3
109.02881	92.1
109.06544	0.8
110.03214	1.1
117.05596	0.6
117.07025	6.4
119.04971	1.0
119.07793	1.3
119.08582	20.1
121.02858	1.5
121.06509	5.2
121.10124	2.0
123.04396	0.8
123.08067	4.1
127.03907	15.6
127.05920	0.7
130.07887	1.0
131.04918	1.2
131.08585	5.8
133.10117	2.4
135.04437	1.0
135.08049	1.8
135.11668	1.9
136.89514	0.8
137.05963	3.8
139.03905	6.4
143.08549	0.9
144.09270	3.2
145.04991	5.8
145.06485	2.6
145.10121	3.7
146.05949	0.9
148.05228	1.5
149.02348	14.6
149.05981	3.7
155.37041	0.7
155.88623	0.8
157.10135	1.0
159.08189	0.9
159.11685	26.9
161.13281	1.1
163.07542	1.9
163.10005	0.7
163.11220	3.2
164.07100	1.6
169.06825	0.8
177.09122	3.8
177.12762	6.3
187.11195	4.1
205.06973	1.2
205.08792	3.7
205.12244	17.9
205.14127	1.6
205.15800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0656
Annotation	Doryanine
Peak:m/z	Relative Intensity
50.40395	0.3
50.50483	0.3
60.04265	0.3
60.04524	4.5
68.05023	0.7
69.45569	2.1
69.45982	0.5
72.30668	0.3
82.58360	0.3
84.04514	2.4
85.02895	1.0
89.03877	0.6
96.04496	1.5
97.02882	1.8
105.46388	0.3
110.16308	0.3
114.05522	1.3
116.04951	2.3
126.05520	1.7
140.72156	0.3
144.04482	0.7
144.06546	0.7
145.05016	0.3
148.05484	0.3
162.05499	100.0
163.05916	1.6
176.09373	0.4
176.25143	0.3
190.04988	16.3
195.76224	0.3
204.06572	40.9
204.08606	2.4
204.13820	0.6
205.06940	0.7
205.12285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05498	7.6
57.07066	8.2
58.17142	1.6
60.04518	12.2
66.97818	1.5
67.05510	11.2
67.94534	1.6
68.05032	6.0
69.03437	2.2
69.07067	15.6
69.35590	16.3
72.16154	1.4
79.05495	8.5
81.07059	62.3
83.08627	3.9
84.04513	18.6
85.02896	3.6
91.05486	12.9
93.07047	22.0
95.08616	37.4
96.04487	11.1
97.02893	11.4
97.10128	2.0
105.07037	54.2
107.08595	17.1
109.06528	1.9
109.10155	30.8
110.06046	2.2
114.05534	12.3
119.08585	44.2
121.10139	17.8
123.11713	5.8
126.05525	25.4
127.03858	2.1
129.07086	2.2
131.08572	5.7
133.10133	44.8
133.20604	1.5
135.11739	3.3
138.05508	3.3
143.08546	2.6
144.06544	5.8
145.10080	10.3
147.04416	2.5
147.08128	3.3
147.11690	86.7
157.10225	3.2
159.11667	7.1
160.12505	5.3
161.09561	3.4
161.13268	25.2
168.06606	3.8
175.14830	6.3
185.09598	2.3
185.13239	2.4
186.07610	4.5
203.03421	2.7
203.06960	2.4
203.10643	10.7
203.14343	11.4
203.17967	100.0
204.06702	3.0
204.08653	23.7
204.13835	7.0
204.18176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05513	14.4
56.96555	2.7
57.07077	3.4
60.04533	9.6
66.37552	2.4
67.05505	17.4
68.05016	5.4
69.03413	3.7
69.07074	15.4
70.20157	5.1
70.20555	3.9
77.58065	2.2
79.05502	9.9
81.07054	32.0
83.08609	7.1
84.04493	21.5
85.02882	3.2
91.05485	18.2
93.07047	19.9
95.05008	2.4
95.08041	3.6
95.08614	40.3
96.04492	9.9
97.02900	10.8
97.10158	8.3
105.07038	64.2
107.08587	22.9
109.10162	33.5
110.06069	3.0
114.05529	12.3
117.07021	4.6
119.07791	3.3
119.08590	44.9
121.06508	1.9
121.10154	18.3
123.11736	11.8
125.09647	8.8
126.05518	28.0
129.06999	3.8
131.08553	3.9
133.10132	35.4
135.11674	4.9
138.05525	3.1
142.40869	1.9
143.08575	3.9
144.06569	8.6
145.10147	9.5
147.08055	2.8
147.11691	75.8
157.10114	3.7
159.11697	4.6
160.12492	4.4
161.09637	3.1
161.13251	20.8
161.49843	2.1
162.05495	2.7
168.06639	2.2
175.14822	7.0
185.09731	2.9
185.13272	4.5
186.07570	5.5
203.07048	4.9
203.10709	7.6
203.14409	15.6
203.17970	100.0
204.06819	3.3
204.08702	20.5
204.13763	11.1
204.18317	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03931	1.8
53.25214	0.8
54.32848	0.8
55.05503	3.9
56.96555	2.5
57.07069	4.7
59.93082	1.1
67.05510	11.3
69.07063	8.7
71.04961	0.9
71.08629	1.7
71.58447	2.0
73.02889	0.9
79.05497	6.7
81.07060	25.8
83.08603	3.2
85.02880	1.0
85.19239	0.8
91.05474	11.8
93.07050	16.7
95.01304	1.2
95.04934	1.6
95.08616	13.6
105.07038	26.1
107.08598	15.0
109.06487	1.1
109.10161	8.3
114.05467	1.3
115.05443	2.1
117.07013	15.0
118.96759	6.7
119.08588	19.6
121.10133	7.7
127.03920	1.6
128.06210	1.9
129.07022	4.3
130.07759	5.5
131.08571	27.7
133.10146	10.7
133.99095	1.5
137.05983	1.9
141.07011	1.5
142.07759	1.6
143.08560	6.0
144.09346	6.3
145.10124	95.3
146.10654	2.0
150.95741	1.5
154.59068	1.5
154.96436	2.1
155.08638	1.0
157.10144	7.8
158.10909	3.3
159.11690	67.2
160.11990	1.6
161.09911	1.0
166.09811	0.9
171.11589	4.5
173.09592	1.8
173.13280	12.0
177.98053	7.4
183.11684	1.0
183.76485	1.1
186.14050	5.1
200.99710	1.5
201.05469	1.1
201.09155	3.1
201.12784	7.4
201.16383	100.0
201.23988	2.0
202.16685	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.38699	1.0
55.05513	8.1
56.05016	1.5
57.03408	1.2
57.07083	5.2
60.04521	7.2
61.02896	1.0
66.18044	1.0
67.05505	13.0
68.05012	2.0
69.03413	1.4
69.07074	12.6
79.05485	7.8
81.07056	26.9
83.08607	4.4
84.04509	11.1
85.02908	3.2
91.05476	16.3
91.06025	1.7
93.07051	15.0
95.08609	43.0
96.04513	5.5
97.02902	5.9
97.10161	2.0
98.06077	1.2
103.05486	1.2
105.07033	100.0
106.07335	1.4
107.08596	19.9
109.02862	1.1
109.10155	29.6
110.06010	1.3
114.05548	6.1
117.06977	3.2
119.08585	46.6
121.10144	15.9
123.11707	7.5
126.05511	15.0
127.03979	1.6
129.07001	1.7
131.08543	3.9
133.10136	41.6
135.11679	4.4
138.05452	1.4
142.07843	1.4
143.08546	1.1
144.06581	2.5
145.10110	5.8
147.11690	68.5
148.12097	1.2
157.10135	2.9
159.11678	4.4
160.12433	2.7
161.13260	25.6
168.06575	2.3
175.07597	1.3
175.11217	1.1
175.14828	14.8
182.63402	1.1
185.13243	2.5
186.07587	1.2
189.11450	1.3
203.06926	2.2
203.10641	4.4
203.14484	7.3
203.17960	96.8
204.06863	1.4
204.08662	10.3
204.10381	1.3
204.13849	5.6
204.18233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.07167	0.5
50.53320	0.5
55.05508	3.9
60.04516	1.9
64.71382	0.5
65.03929	0.6
67.05508	11.8
68.05022	1.0
69.07069	5.7
70.76987	1.1
70.77365	1.2
77.05974	0.6
79.05495	5.4
81.07059	19.4
83.08612	1.4
84.04479	3.9
91.05489	6.7
93.07050	18.0
95.04978	0.9
95.08611	46.7
96.04516	1.4
96.08949	0.6
97.02884	2.3
97.10144	1.4
105.07034	31.6
107.08596	26.9
109.06507	0.8
109.10161	30.7
114.05527	1.8
117.07003	0.7
119.08587	24.6
120.15944	0.5
121.10156	13.3
123.11727	5.7
126.05518	4.3
131.08583	1.2
133.10133	18.1
134.37843	0.5
135.11703	2.0
142.07831	0.5
144.06598	1.5
145.10124	2.0
147.11690	32.4
148.12177	0.7
159.11650	0.7
160.12480	0.7
161.09552	0.8
161.13257	14.5
168.06689	0.8
173.53633	0.6
175.14853	8.3
186.07675	0.7
203.07085	0.8
203.17960	100.0
204.06834	1.0
204.08702	3.9
204.13866	1.7
204.18321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
52.88932	0.4
55.01881	1.0
55.05518	2.0
56.25080	0.6
57.07085	0.6
59.05000	0.8
59.06136	0.7
61.02916	1.5
67.05511	3.2
69.03426	1.8
69.07074	1.4
69.75094	1.3
69.75511	2.3
70.95871	3.8
71.05000	0.7
72.93797	2.0
73.02921	1.5
79.05495	5.5
81.07056	8.3
83.04998	0.7
87.04450	0.6
90.94805	0.6
91.04895	0.8
91.05481	18.4
93.07042	18.7
95.04969	2.0
95.06139	0.7
95.08598	5.0
97.06541	1.5
98.21522	0.6
98.97572	0.8
100.58967	0.6
105.07033	28.9
107.08595	100.0
108.08929	1.4
109.06506	4.0
109.10143	4.5
111.08085	0.8
111.98483	3.1
113.08265	1.6
113.96397	0.7
117.07020	1.2
119.04948	2.1
119.06099	0.6
119.08585	15.3
121.06507	2.1
121.10139	18.6
123.04396	1.1
123.08080	1.4
123.11702	3.2
125.05965	0.6
125.09601	1.2
128.06178	1.0
129.99489	2.9
131.08560	3.2
132.95836	3.6
133.10132	60.2
134.10451	1.7
135.11710	3.2
137.05986	3.3
137.08258	0.9
137.09604	2.6
139.07544	4.5
141.05547	0.6
141.06967	0.7
143.08540	2.8
144.02565	0.5
146.07277	1.2
149.08737	0.4
149.09622	11.0
150.96901	11.2
151.03957	1.0
151.07579	3.1
151.11189	19.5
155.09387	1.1
155.97421	4.5
161.09616	18.5
167.10680	33.3
168.11053	0.7
168.97939	0.6
169.06528	0.7
169.10046	0.7
173.98502	11.2
174.98711	0.5
179.10667	44.2
180.11023	0.9
180.99806	0.5
183.50032	0.4
197.00140	0.8
197.11726	77.9
198.12077	1.1
198.16830	0.9
198.18536	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	199.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.03439	2.4
57.07051	3.4
57.22309	2.5
59.06131	3.9
60.44717	2.7
69.07062	7.9
71.04980	2.5
71.56533	2.6
72.63124	2.3
74.09719	9.7
81.07038	3.1
98.97565	3.1
100.07590	4.0
102.55086	2.7
107.08593	3.2
111.04453	4.3
116.01976	4.9
116.97229	16.3
116.98605	4.2
118.03477	6.7
119.01939	20.8
131.99510	5.1
134.02998	59.9
134.99631	6.5
136.04549	7.0
137.02936	14.1
148.96252	2.9
152.04051	19.1
152.05890	4.0
152.96945	5.2
156.97493	32.0
157.04567	18.7
157.97542	2.9
158.01193	3.1
158.03038	5.5
160.04660	3.1
164.00290	3.7
174.97032	5.4
174.98552	100.0
175.05763	2.9
175.98509	19.4
176.00938	6.2
176.04077	27.0
176.05864	9.2
181.04582	2.8
194.05171	13.4
194.06865	3.6
195.54868	2.5
198.00153	5.0
198.86443	14.5
198.98529	16.6
199.05746	2.8
199.18889	60.4
216.99557	26.5
218.95413	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.12177	0.7
53.03959	1.0
53.27065	0.8
55.01862	1.6
55.05520	4.3
57.07069	1.7
58.35727	0.7
59.04999	2.6
60.16679	0.8
67.05489	5.6
69.07056	2.7
69.69895	6.1
70.95863	6.7
72.93784	3.4
79.05489	5.4
81.07061	8.3
83.04971	1.0
83.08620	1.5
85.06564	1.3
88.96905	1.4
91.05486	14.0
93.07048	19.8
95.04971	7.7
95.08607	3.4
97.06507	1.1
105.07032	28.7
107.08599	60.5
109.06530	5.6
109.10161	6.3
109.18280	0.9
111.98496	5.4
113.08243	2.2
113.96365	0.9
119.04922	2.4
119.08583	7.6
121.06557	6.1
121.10108	1.5
123.04425	3.7
123.08045	1.0
123.11680	3.2
125.06038	0.8
129.99515	4.4
131.08603	2.5
132.95834	8.8
133.10136	65.5
134.10539	2.1
135.08060	1.8
135.11700	56.8
135.93637	0.9
136.12038	1.5
137.05991	2.3
137.08226	0.9
137.09604	4.7
143.08588	1.4
150.96895	20.6
151.03877	1.1
151.11197	6.6
155.09276	1.8
155.97398	9.2
158.84879	1.0
161.02948	1.8
161.09628	31.5
162.10014	0.9
173.98506	18.4
179.10683	100.0
180.11049	2.4
182.11002	1.0
197.00125	2.3
197.11743	93.7
198.12045	2.1
198.18547	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03949	0.3
55.01879	2.0
55.05503	0.5
56.05033	0.4
56.96566	0.4
57.03436	0.5
57.07069	0.6
59.06118	0.6
63.79964	0.3
65.03934	1.4
66.34978	0.4
67.05505	2.7
69.03409	0.5
69.04562	0.4
69.07049	0.5
69.51602	2.7
70.06586	0.4
70.95862	6.0
71.06093	0.4
72.08128	0.3
72.93786	2.2
73.02917	22.4
74.66030	0.3
79.05504	0.8
81.07041	1.2
83.04990	0.4
85.02914	0.4
88.96905	1.6
90.94830	0.7
91.03942	0.6
91.05478	3.0
93.03393	0.6
93.07048	1.3
95.04971	2.0
95.06087	0.5
95.08601	0.8
97.06545	0.4
97.07633	0.5
97.73869	0.3
105.07022	1.5
107.04981	0.5
107.08582	2.2
108.02084	1.6
109.02892	0.5
109.06495	1.1
109.10159	0.8
110.03649	1.8
111.04431	2.3
111.08080	0.4
111.98468	5.1
113.08272	2.7
113.96396	1.3
119.04944	2.2
119.08575	0.6
123.04414	0.5
123.08048	0.7
125.05992	18.0
129.99515	4.1
131.97409	0.9
132.95834	6.5
133.10123	3.6
135.11676	2.0
137.05995	1.3
137.08212	1.4
137.09583	0.9
138.06667	0.8
140.07083	0.6
141.05464	3.9
143.07027	0.3
147.04425	1.7
149.05980	2.4
150.96892	18.1
151.03905	100.0
151.04974	5.9
151.07445	3.9
152.04251	0.6
155.09319	2.0
155.97432	6.6
160.08061	0.4
161.09633	1.2
161.13255	0.4
166.37393	0.3
167.39212	0.3
168.97945	1.0
171.53154	0.3
173.98488	15.2
179.05499	0.8
179.07027	22.4
179.09227	1.3
179.10513	3.6
179.14323	0.9
180.07451	0.4
191.99527	0.4
192.01805	0.4
197.00046	1.7
197.06256	0.7
197.08049	9.0
197.10173	0.8
197.11824	3.2
197.13518	0.5
198.18475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56203	0.3
53.03946	0.7
53.97749	0.3
55.01876	0.9
55.05511	19.9
56.96567	0.6
57.03440	0.8
57.07089	0.8
59.05008	0.6
63.02401	0.5
65.03962	0.6
67.05509	3.5
69.03418	1.2
69.07068	22.3
69.76723	2.6
70.06601	0.4
70.94250	0.4
71.04995	1.3
78.04716	0.4
79.05486	2.6
81.07055	3.1
83.04984	16.8
83.08610	0.8
85.06558	0.7
89.03918	15.2
89.06051	1.1
90.04308	0.4
91.05482	4.7
93.03457	0.4
93.07047	6.8
93.54219	0.4
95.04984	2.5
95.08617	4.3
97.02929	0.4
97.06554	2.7
98.20744	0.6
98.97552	0.4
103.05468	0.9
105.03326	0.4
105.07036	3.1
106.04177	1.1
107.04957	2.1
107.08594	7.1
109.06508	3.9
109.10163	3.1
111.04459	1.5
111.05564	0.8
111.08088	3.2
117.03381	35.2
117.07030	1.5
117.27411	0.3
118.03704	0.6
119.04929	0.6
119.08607	2.1
121.06517	1.8
121.10135	3.5
123.08085	1.1
124.05183	0.5
125.05980	1.2
125.07111	0.5
131.08563	1.3
133.10124	2.9
134.03636	4.5
135.04436	6.6
135.08034	2.3
135.11702	5.0
136.08667	0.5
137.09619	12.3
138.06609	1.4
139.04961	0.8
139.07559	0.5
144.09329	0.6
145.02849	68.6
146.03117	1.9
148.97389	0.9
149.02376	0.4
149.05984	17.6
149.09601	2.9
149.13264	2.3
149.97217	0.7
150.09155	0.6
151.11226	0.6
153.05467	1.9
153.09044	0.5
153.12747	13.2
153.97870	0.6
159.11694	4.3
162.03107	2.1
163.03911	10.1
165.07004	0.5
167.10689	0.4
171.98936	1.1
172.98950	0.4
177.05470	100.0
177.12735	4.5
177.16383	1.1
178.05847	3.5
186.05489	2.0
195.02928	1.6
195.06624	2.1
195.08844	1.8
195.10158	1.8
195.11949	0.7
195.13753	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.1
55.05511	40.6
56.05024	17.6
57.07071	24.9
57.48189	3.8
58.06593	8.4
59.06119	10.8
67.05499	8.5
68.05015	10.4
69.03394	3.7
69.04568	4.6
69.06721	7.5
69.07067	100.0
70.06594	20.4
70.09751	22.5
71.06120	5.2
71.08618	10.5
72.08143	12.1
79.05492	3.8
80.05042	3.7
81.03374	5.7
81.04536	5.1
81.07054	12.5
83.04970	4.1
83.06104	14.3
83.08619	48.4
84.05681	4.4
84.08132	10.3
85.07670	11.1
85.10190	4.5
87.08735	3.9
87.09241	6.0
89.06032	5.8
91.05463	4.7
93.07043	10.9
94.06589	5.5
95.04920	4.5
95.06075	14.9
95.08589	13.0
96.08164	5.9
97.06494	4.1
97.07652	12.9
97.10189	32.8
98.07192	8.6
98.09678	6.0
105.06996	4.6
107.04948	8.7
107.08595	14.5
109.07634	13.7
109.10164	5.8
110.07135	18.7
111.04427	6.8
111.05575	4.5
111.06653	5.5
111.08015	5.4
111.09184	24.5
111.11723	18.9
112.08762	23.5
114.10328	8.8
117.03365	8.4
121.07668	4.4
121.10160	5.2
122.07141	7.3
124.08684	9.4
125.08175	4.1
125.10746	8.2
125.13263	4.6
131.87538	4.5
135.04448	8.6
135.05577	3.8
135.06627	5.1
135.11697	7.1
136.07765	4.7
136.08698	22.4
137.07126	4.6
137.08215	6.2
137.10741	11.7
138.06636	6.1
138.10254	12.1
139.07448	7.2
139.12146	4.2
141.05347	6.6
145.02844	14.2
145.40730	3.8
148.97377	10.8
149.05997	7.3
149.09573	6.0
149.97113	20.5
150.10254	5.7
152.11865	9.6
153.07664	5.7
153.11351	14.5
153.97960	4.8
154.13409	4.8
163.03928	48.7
171.06367	6.2
171.98955	9.9
172.98849	9.1
177.05505	30.1
177.09103	8.2
177.12782	5.1
177.16377	10.9
178.09718	6.0
178.11885	4.6
178.13393	11.3
179.12900	7.2
195.02887	5.8
195.08762	18.7
195.10191	9.8
195.12314	21.9
195.14153	10.5
195.15959	30.1
196.00447	5.4
196.15547	5.5
196.16989	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03941	4.5
55.01863	7.1
55.05515	18.1
56.96560	5.9
57.03428	8.2
57.07069	7.2
59.04995	1.9
65.03942	3.7
67.05507	76.5
69.03415	4.4
69.07070	18.0
71.01369	3.5
71.04979	9.6
71.58146	2.0
71.58549	2.3
71.95281	2.4
79.05063	3.4
79.05495	47.1
81.03427	16.0
81.07063	100.0
83.04982	16.6
83.08604	11.4
85.06573	4.4
89.06032	5.6
91.04965	3.0
91.05487	28.8
93.07048	66.4
94.07295	1.8
95.04963	12.3
95.08611	42.3
97.06551	15.1
97.10162	2.2
99.08091	3.5
105.07030	11.8
107.04954	4.8
107.08600	32.6
109.06515	5.2
109.10175	8.3
111.08070	8.2
113.96387	2.7
117.03352	5.8
117.07037	9.8
119.08595	5.6
121.06493	9.0
121.10133	25.6
123.08044	3.4
123.11777	2.3
125.09673	3.5
131.08563	13.1
133.02863	6.2
133.10130	20.2
135.04420	7.0
135.08040	5.5
135.11697	37.5
137.09639	3.8
138.06599	3.6
139.11115	2.9
142.06389	2.2
145.02815	12.7
145.10062	2.7
149.05989	6.6
149.09625	4.5
149.13269	26.2
149.97198	10.0
151.11128	2.3
153.09116	2.2
154.97749	2.5
159.11694	21.8
159.87199	1.7
163.03912	68.7
163.11176	2.8
165.06993	4.3
165.80035	2.0
167.07028	1.8
172.98866	5.5
176.64580	1.9
177.05498	19.0
177.12752	16.1
177.16386	7.3
178.93599	1.7
180.09282	3.2
195.02975	10.5
195.06496	3.9
195.08620	5.1
195.10182	4.4
195.11758	6.6
195.13814	25.1
195.15733	4.6
195.17404	12.5
196.16878	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	195.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01878	1.3
55.05507	3.9
56.96571	2.4
57.03437	3.4
57.07080	2.1
65.03918	1.6
67.05519	7.0
69.07071	6.0
69.96148	1.2
71.01341	0.9
71.04993	3.7
71.55779	1.9
71.95252	1.5
72.93778	1.3
78.61154	1.1
79.05496	11.5
81.03438	1.5
81.07060	12.7
83.05002	2.1
83.08630	3.3
85.06539	2.0
89.03912	6.5
89.06016	5.1
91.05502	8.2
93.07043	14.7
95.04958	7.2
95.08611	10.3
97.06548	1.9
99.08087	1.3
100.02487	1.2
101.45174	1.0
103.05490	1.1
105.07052	6.2
107.04966	5.9
107.08595	13.1
109.06545	3.7
109.10138	1.9
109.98920	1.5
111.04428	1.2
111.08070	2.1
113.96378	1.0
117.03381	13.4
117.07047	2.3
118.03612	1.3
119.08594	2.2
121.06526	3.4
121.10136	9.8
123.08036	7.1
131.08582	3.4
131.97433	1.2
132.97313	1.0
133.02861	8.2
133.06529	6.3
133.10136	3.2
134.03668	2.0
135.04431	10.9
135.08095	3.9
135.11670	8.9
137.09613	1.3
138.06624	1.2
139.03922	1.3
145.02846	25.5
148.97366	4.4
149.05984	8.1
149.09651	2.4
149.13268	4.8
149.97226	3.4
152.05966	2.5
153.05446	2.5
154.97740	1.3
159.11688	4.6
161.06493	1.2
163.03918	100.0
164.04254	3.7
165.07060	1.8
167.07079	1.2
167.08739	1.2
171.98962	2.9
172.98836	1.4
177.05484	44.9
177.09076	2.3
177.12761	7.9
177.16414	6.8
178.05841	1.6
180.09326	1.8
186.05534	1.4
195.02846	6.1
195.06494	3.0
195.08606	3.5
195.10277	1.9
195.11844	3.9
195.13847	7.6
195.15593	1.9
195.17534	1.1
196.16934	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03941	2.9
55.01864	2.7
55.05505	5.1
56.82849	1.6
56.96560	4.4
57.03432	3.2
57.07052	3.2
65.03929	3.4
67.05508	29.2
69.03413	3.8
69.07079	10.8
71.04985	4.4
71.58311	1.9
71.58672	1.7
71.95251	5.6
79.05497	100.0
81.03412	3.6
81.07063	50.4
83.04966	6.9
85.06538	2.8
89.03922	3.3
89.06031	9.0
91.05478	13.1
93.03400	3.1
93.07043	41.2
95.04973	8.9
95.08611	13.2
97.06535	28.1
102.32750	1.5
105.03384	1.7
105.07018	6.7
107.04960	14.3
107.08596	29.2
109.06503	7.3
109.10165	4.7
111.04441	13.8
111.08072	2.6
117.03360	5.0
117.06991	5.5
119.08570	5.3
121.06437	2.6
121.10136	13.6
125.06001	52.9
130.98924	2.5
131.08551	2.2
131.96117	2.2
133.02853	6.2
133.08604	2.0
133.10172	4.1
135.04469	8.3
135.08066	5.9
135.11703	14.6
137.09625	2.1
138.06616	2.2
139.07506	4.3
145.02870	8.5
148.97343	3.8
149.01222	3.6
149.05959	4.4
149.09647	2.7
149.13264	71.4
149.97185	9.3
154.97716	2.5
159.11667	9.5
163.03909	67.5
164.04327	2.7
165.06967	4.1
167.07076	3.3
167.08511	3.1
171.98927	2.1
172.02771	2.0
172.98784	4.5
177.05464	16.2
177.09132	2.0
177.12743	36.8
177.16356	3.5
180.09401	4.1
195.02911	11.9
195.06508	4.0
195.08516	5.3
195.10129	3.9
195.11729	9.6
195.13803	31.2
195.15691	4.2
196.09650	3.3
196.16928	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.00991	1.2
53.03938	5.0
55.01848	4.2
55.05507	16.7
56.96560	2.8
57.03445	7.1
57.07051	2.2
65.03927	2.4
67.05503	58.9
69.03428	2.5
69.07067	18.7
71.01347	2.8
71.04976	5.6
71.59135	1.8
71.59542	1.4
71.95248	4.4
72.93784	1.3
77.03904	2.2
79.05489	40.2
81.03413	6.1
81.07055	100.0
81.88003	1.2
83.04992	10.9
83.08617	13.3
85.02868	1.3
85.06527	5.0
89.03906	7.2
89.06027	5.5
91.05477	22.2
93.07042	57.9
95.04974	15.5
95.08605	37.0
97.06530	13.2
97.10153	1.8
99.08085	1.9
100.02464	1.5
103.05449	1.4
104.51969	1.3
105.07019	10.8
107.04954	36.7
107.08591	29.6
109.06512	5.0
109.10145	4.7
110.92149	1.2
111.04442	1.8
111.08095	6.3
113.09665	1.3
117.03360	14.0
117.07021	9.0
119.08569	4.9
121.06508	6.5
121.10149	16.2
123.08073	1.5
125.09630	1.4
131.08568	11.4
131.97437	2.3
133.02832	5.0
133.06483	4.0
133.08621	1.4
133.10129	17.4
134.03595	2.3
135.04414	17.8
135.08037	5.8
135.11685	27.9
136.58035	5.7
137.09590	2.1
138.06610	2.7
139.11145	1.5
142.58075	1.4
144.09323	1.6
145.02853	24.0
145.03963	2.9
145.58572	6.6
148.97356	4.2
149.05998	10.0
149.09598	4.2
149.13239	21.4
149.97165	6.2
151.11186	2.3
151.58519	5.5
153.05481	1.4
153.09099	1.6
153.97914	1.8
156.71986	1.2
158.06032	1.4
158.54012	1.2
159.11688	18.6
160.59068	5.9
161.09245	1.6
163.03903	91.5
163.09283	1.6
163.59576	1.3
164.04195	3.6
165.07011	2.7
167.07016	2.2
167.08458	1.1
171.98967	2.8
172.09782	1.9
172.98772	2.4
177.05469	41.6
177.09027	2.7
177.12743	13.0
177.16354	7.1
180.09294	1.8
183.60716	1.6
186.05574	2.0
195.02933	8.6
195.06497	6.8
195.08611	4.0
195.10176	4.1
195.11768	4.3
195.13792	18.4
195.15704	3.8
195.17441	1.9
196.16959	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	5.8
55.01867	4.2
55.05507	20.6
56.96559	1.8
57.03429	4.7
57.07063	2.7
65.03930	3.3
67.05503	71.3
69.03425	3.4
69.07066	17.9
69.36457	6.2
69.36891	5.6
71.01362	2.2
71.04984	6.4
79.05494	46.9
79.05961	2.4
81.03429	10.7
81.07056	100.0
83.01363	1.4
83.04988	13.7
83.08622	14.4
85.06534	4.3
89.03919	5.4
89.06019	5.3
91.05479	38.1
93.07040	61.3
95.04975	10.2
95.08601	31.5
97.06521	11.8
97.10156	1.2
98.21494	2.7
99.08076	1.9
105.07021	12.1
107.04961	12.1
107.08595	32.7
107.56947	1.2
109.06506	5.7
109.10135	6.0
111.08071	6.0
117.03388	10.8
117.07012	16.0
119.08570	5.6
121.06516	5.6
121.10147	13.8
123.08098	1.3
123.11716	3.8
131.08580	13.1
131.96130	1.9
133.02843	4.9
133.06490	6.6
133.08592	1.5
133.10135	27.7
133.11098	2.3
134.03653	2.8
135.04405	11.5
135.07123	1.3
135.08035	7.2
135.11682	27.9
138.06642	1.6
139.11134	1.3
145.02837	20.4
145.03923	1.2
147.11620	1.2
148.97345	2.4
149.05963	7.9
149.09627	4.2
149.13263	22.1
149.97205	1.6
151.11194	4.1
153.12698	1.3
154.62460	1.3
159.11674	15.4
163.03903	63.0
163.07605	1.9
164.04242	2.5
167.07045	1.4
167.14316	1.5
171.99022	1.3
177.05467	31.3
177.09125	4.1
177.12724	13.4
177.16412	2.9
195.02911	3.6
195.06572	2.0
195.08578	2.8
195.10178	37.0
195.11717	2.4
195.13832	21.1
195.15479	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	195.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54593	1.7
53.84237	2.0
55.01860	7.3
55.05495	6.0
56.05027	6.2
56.96567	15.4
57.03430	5.5
57.07066	3.3
58.06592	3.0
58.99845	2.9
59.06113	1.9
60.04510	5.9
60.18340	1.7
61.02913	8.5
65.03923	2.6
67.05505	11.1
68.05013	4.3
68.96307	2.9
68.99786	2.7
69.03419	7.6
69.07053	8.4
70.06594	8.8
70.98084	2.5
71.04967	6.2
71.08597	1.9
71.51143	3.0
72.08133	4.5
73.02929	11.8
74.06065	7.9
77.00872	2.7
79.05484	13.7
80.05009	4.4
81.03404	8.8
81.04510	2.1
81.06609	1.9
81.07050	10.1
82.01431	6.7
82.05315	2.0
82.06574	3.7
83.04964	3.6
83.06091	4.4
84.04518	20.5
84.08139	28.3
85.02897	7.6
85.06530	2.4
86.05992	1.8
86.09701	13.4
88.99121	2.9
89.03903	3.7
89.06043	9.7
91.05478	18.9
93.07034	11.5
94.06566	5.1
95.01929	2.4
95.04985	8.9
95.06110	3.6
95.08628	10.0
96.04472	2.1
97.02877	10.1
97.06521	3.3
97.07639	2.2
98.97566	6.4
99.04450	2.3
100.02480	74.8
101.00856	2.9
101.55005	2.2
103.02395	2.0
103.05466	5.6
103.54753	3.0
105.04485	2.5
105.07031	45.8
106.06544	6.2
107.04950	13.9
107.06898	2.1
107.08588	11.4
108.04401	2.0
108.05602	2.1
108.08096	4.5
109.02866	7.9
109.06496	6.8
109.07689	2.6
109.10148	4.9
109.98936	4.4
110.06026	3.0
110.07159	3.6
110.55527	2.8
111.00212	2.7
111.04423	5.3
111.09205	2.2
112.07583	5.5
113.07095	2.3
115.05446	8.4
116.98599	7.5
117.01872	4.1
117.03366	8.9
117.05743	5.7
117.07005	2.5
118.03526	73.2
118.06531	10.1
119.01899	15.2
119.02649	3.1
119.03576	1.9
119.04923	10.2
120.01942	2.0
120.05727	9.0
120.08128	2.4
121.02839	2.9
121.06496	8.2
121.07644	4.3
121.10143	8.2
122.06046	4.5
123.04087	7.5
123.06718	2.5
123.08043	3.2
125.02621	10.1
125.05979	4.4
125.07043	1.8
125.09659	2.2
127.03858	4.3
127.99987	2.5
129.06586	2.3
129.10213	10.2
130.06540	18.5
130.08656	7.0
130.96298	5.6
131.01906	9.7
131.04887	3.6
131.96127	5.2
132.05167	2.2
132.08092	29.9
133.03537	4.5
133.06488	76.8
133.08553	2.8
134.06015	6.0
134.99628	7.6
135.04396	7.0
135.06406	4.0
135.08038	8.0
135.09012	2.4
135.11667	5.5
136.07584	78.3
136.08658	4.4
137.02907	5.6
137.05952	9.9
137.08261	2.0
137.09595	4.6
138.06628	5.5
139.03960	2.9
139.07552	2.3
140.07082	3.6
141.05110	10.0
142.03453	6.0
142.06421	1.8
143.04930	3.1
143.54225	9.6
144.04341	2.9
145.02777	19.0
146.06035	4.8
147.11180	2.2
148.07562	4.3
148.97369	15.2
149.01254	3.1
149.02939	7.8
149.05931	11.1
149.07037	3.1
149.08371	2.4
149.09613	8.1
149.10706	3.4
149.97194	18.6
150.05475	7.6
150.06563	2.6
150.07848	2.8
150.09140	6.5
151.03989	2.3
151.07495	4.3
151.11121	2.3
152.07040	10.8
153.04012	2.7
153.05440	6.8
153.97914	8.3
154.00177	2.8
154.03517	5.0
154.97719	2.4
157.03511	1.9
159.05061	2.7
160.07571	100.0
161.03017	10.7
161.05983	10.1
162.05487	25.4
163.02641	2.0
163.03896	26.5
163.06168	9.0
164.07045	7.8
167.06915	2.5
167.08351	2.9
167.98186	2.6
171.98958	14.6
172.01118	2.3
172.02937	2.4
172.04579	6.8
172.95218	6.2
172.98820	10.2
173.02899	9.2
173.04214	2.7
175.00902	3.3
175.11862	3.6
176.07721	2.4
177.00681	4.2
177.05440	32.9
177.06802	2.3
177.08995	4.7
177.10286	13.3
177.12654	2.8
177.16383	9.6
178.04974	4.5
178.08618	73.3
179.07037	3.5
180.09305	2.4
184.04903	2.3
186.05659	3.1
188.07693	2.2
189.02400	2.4
190.05600	3.4
190.96283	7.4
190.98627	5.6
191.03941	6.2
195.02982	12.3
195.06435	6.5
195.08389	8.7
195.11327	38.8
195.13858	3.3
195.15846	3.6
195.17459	3.3
196.05939	4.1
196.09747	4.6
197.12990	2.6
203.03922	3.9
208.99727	2.6
213.07274	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	195.0878
Annotation	Caffeine
Peak:m/z	Relative Intensity
53.03991	0.3
55.05508	1.9
56.05041	0.8
56.96581	0.5
67.05507	0.9
69.03436	0.7
69.04555	3.1
69.07064	0.9
70.84751	0.8
71.05003	0.4
74.39459	0.3
79.05487	0.9
81.03407	0.5
81.07060	1.3
83.04980	1.3
83.06100	2.8
89.03904	0.7
89.06036	0.9
91.05483	1.2
93.07064	1.8
95.04967	0.7
95.08624	1.1
97.06441	0.3
97.07660	0.4
105.07045	1.5
107.04963	0.6
107.08581	1.8
108.95605	0.3
109.04015	0.9
109.06528	0.5
109.10155	0.8
110.07166	12.2
111.04466	0.4
111.05546	0.6
111.08111	0.4
117.03371	1.4
117.07016	0.6
119.08601	1.3
121.06496	0.7
121.10139	1.1
123.04314	0.9
123.08097	0.5
130.96292	0.4
131.08566	1.0
133.06470	0.3
133.10216	0.4
135.04375	0.8
135.08086	0.9
135.11682	1.6
137.09602	1.1
138.06624	60.5
139.06949	0.4
144.09340	0.4
145.02826	3.2
147.11693	1.2
148.97369	0.9
149.05978	0.9
149.09641	1.0
149.13287	1.4
149.97180	0.3
153.12790	0.7
153.97891	0.5
154.06184	0.4
159.11674	2.2
163.03923	2.6
165.54233	0.3
171.98987	0.9
176.96176	0.3
177.05463	4.4
177.09111	1.0
177.12767	0.8
178.05011	0.8
180.06511	0.3
180.09355	0.3
195.08769	100.0
195.13536	1.7
196.06096	0.4
196.09082	1.2
200.65894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.01597	0.3
51.02390	0.4
52.65144	0.3
53.03943	0.5
53.11544	0.3
55.01875	1.0
55.05511	3.6
56.96556	0.7
57.03423	0.3
57.07069	0.4
58.23939	0.3
59.90859	0.3
63.02374	0.6
65.03926	0.4
67.05495	1.1
69.03429	0.9
69.07070	3.0
69.32867	1.1
69.33281	2.2
78.04722	0.6
79.05503	1.6
81.03413	1.0
81.07065	1.5
83.01328	0.7
83.04986	3.0
89.03915	15.1
89.06017	0.9
91.05486	3.2
93.03384	0.4
93.07063	2.5
95.04969	1.4
95.08598	1.5
97.02856	0.4
97.06537	0.6
97.07626	0.5
98.20689	0.5
98.97593	0.9
103.05453	1.1
105.03388	0.3
105.07021	1.1
106.04154	1.1
107.04955	1.4
107.08591	2.7
109.06500	0.8
109.07632	0.4
109.10155	1.0
109.98939	0.3
111.04439	0.8
111.08070	1.4
116.98648	0.7
117.03378	32.0
119.08582	0.7
121.06496	1.4
121.10128	1.9
124.05180	0.5
125.06004	0.5
128.02249	0.4
130.96300	0.7
131.04988	0.3
131.08578	1.1
133.06461	0.4
133.10088	0.5
134.03630	4.9
134.99559	0.4
135.04417	6.6
135.08055	1.6
135.11726	1.2
137.09625	2.0
138.06621	0.9
139.03926	0.4
139.07559	1.9
143.30537	0.3
145.02841	67.1
146.03188	0.9
148.97354	1.4
149.05986	18.0
149.09602	1.1
149.13239	0.9
150.06740	0.4
153.05421	1.1
153.12746	1.7
153.97874	0.7
158.05981	0.7
159.08051	0.6
159.11694	1.0
162.03157	1.7
163.02551	0.5
163.03909	9.6
163.07552	0.4
165.06912	0.5
167.07062	0.3
167.08478	0.4
168.66684	0.3
170.47543	0.3
171.98926	1.3
177.05467	100.0
177.12747	1.0
177.16486	0.3
178.05846	0.8
186.05507	2.8
195.02837	1.0
195.06432	2.3
195.08478	0.9
195.10173	1.3
195.12160	0.7
195.13858	2.3
195.15596	0.6
201.08025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03943	0.4
55.05511	0.9
55.59414	0.3
56.96563	0.4
57.03439	0.3
62.12312	0.3
63.02372	0.8
65.03942	0.5
65.63796	0.3
67.05501	0.7
69.03432	0.5
69.07060	0.6
71.38186	0.4
77.58230	0.2
78.04716	0.7
79.05495	1.3
81.07053	0.9
83.04986	0.8
89.03916	19.1
91.05482	2.4
93.07034	1.4
95.04951	1.2
95.08570	0.7
97.02874	0.3
97.06528	0.6
98.97570	0.3
103.05473	1.3
105.04514	0.4
105.07027	0.8
106.04158	1.4
107.04935	0.8
107.08601	1.3
109.06516	0.7
109.07718	0.3
111.04430	1.2
111.08002	0.5
116.98599	0.5
117.03378	39.8
118.03719	0.3
118.67451	0.3
118.98680	0.3
119.04964	0.4
119.08636	0.3
121.06499	1.5
121.10143	1.4
123.08044	0.4
124.05209	0.6
125.05958	0.5
125.09650	0.3
131.08577	0.5
133.10121	0.6
134.03636	6.5
135.04417	6.8
135.07988	0.7
135.11679	1.1
136.08665	0.3
137.09644	0.5
138.06647	0.5
139.03853	0.3
139.07547	0.7
145.02844	76.7
146.03221	0.6
147.04329	0.4
148.97365	0.8
149.05980	19.7
149.09587	1.1
149.13161	0.4
150.06291	0.3
153.05441	1.3
158.06015	0.7
159.11630	0.6
162.03130	2.0
163.03908	9.5
167.10631	0.4
171.98975	0.6
177.05467	100.0
177.12680	0.8
177.16328	0.4
177.26118	0.3
178.05878	1.3
186.05542	2.5
195.02876	0.7
195.06480	1.9
195.08086	0.6
195.08759	0.6
195.10187	0.7
195.11870	0.5
195.13837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03935	0.8
55.01874	0.9
55.05510	25.4
56.96561	2.8
57.03436	0.9
58.49453	0.4
59.04978	0.5
59.06110	0.4
61.02938	0.5
63.02362	0.6
65.03955	0.6
67.05504	3.7
68.05017	0.5
68.96333	0.5
69.03423	1.7
69.07066	20.2
70.38177	0.8
70.38570	0.6
71.01350	0.6
71.04979	1.4
73.02910	0.6
78.04712	1.1
79.05489	4.3
80.04977	0.4
81.03401	1.9
81.07047	6.3
83.04978	19.9
83.06072	0.7
83.08624	0.6
85.02905	0.7
85.06583	0.5
86.97363	0.4
89.03913	16.6
89.06047	2.1
90.39795	0.4
91.05471	4.0
93.03423	0.5
93.07034	6.7
95.04967	3.2
95.06058	0.6
95.08060	0.4
95.08612	4.4
97.02872	0.6
97.06532	3.2
97.07658	0.5
98.97583	4.1
103.05463	1.3
105.06990	2.3
106.04149	1.5
107.04972	2.3
107.08588	4.6
108.05576	0.4
109.02868	0.7
109.06491	1.7
109.07635	0.7
109.10147	3.7
109.98916	0.5
111.04449	1.9
111.08083	4.0
116.98627	3.3
117.03373	38.5
119.01843	0.5
119.08569	1.7
121.06524	2.2
121.10128	2.2
123.08015	1.1
124.05214	0.5
125.06020	0.9
125.09669	0.6
127.99974	0.5
130.96335	0.6
131.08563	1.3
133.10147	0.8
134.03639	5.7
134.99644	1.8
135.04416	8.7
135.08060	1.1
135.11665	3.2
136.05077	0.7
136.08788	0.4
137.02780	0.6
137.06046	0.6
137.09619	13.1
138.06596	0.8
139.03918	0.7
145.02838	71.8
146.03212	0.9
146.99651	0.8
148.97371	2.6
149.01230	0.6
149.04764	0.9
149.05972	18.8
149.09636	1.9
149.13248	1.4
153.05457	2.0
153.12738	16.5
153.97862	1.1
158.99626	1.6
159.11664	2.8
162.03064	1.8
163.03915	11.2
165.06821	0.6
166.07806	0.5
167.07037	0.4
171.98940	1.7
177.00703	2.7
177.05461	100.0
177.12633	2.4
177.16351	1.6
178.05785	1.2
180.09387	0.6
186.05554	2.5
195.03035	1.9
195.06570	2.1
195.08505	1.5
195.10176	1.7
195.11980	1.1
195.13818	3.7
195.15584	0.7
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
51.07301	0.3
53.03939	0.3
55.05515	0.7
55.42402	0.3
56.81313	0.3
56.96563	0.5
61.05802	0.3
62.03236	0.3
62.03557	0.3
63.02395	0.5
65.03958	0.4
67.05504	0.4
69.03428	0.5
69.07070	0.9
71.01335	0.3
71.43358	0.4
71.43700	0.3
78.04689	0.6
79.05489	1.7
81.03403	0.4
81.07060	1.1
82.99654	0.3
83.04980	0.9
89.03915	16.9
89.06028	1.0
91.05486	2.7
93.07052	1.5
95.04948	1.5
95.08611	0.6
97.06504	0.4
98.97553	0.6
99.80323	0.3
103.05471	1.3
105.03507	0.3
105.07030	1.0
106.04152	1.4
107.04963	0.9
107.08600	1.4
109.06506	0.6
111.04418	0.5
117.03378	37.4
118.03684	0.4
119.04945	0.6
121.06508	1.6
121.10145	0.9
124.05212	0.9
125.05971	0.6
125.66897	0.3
130.96289	0.4
131.08604	0.4
134.03627	5.7
134.99675	0.3
135.04416	7.2
135.08060	1.6
135.11649	1.8
137.05963	0.4
137.09622	0.8
138.06647	0.7
145.02844	70.7
146.03200	0.6
148.97321	0.7
149.05977	15.7
149.09624	0.7
150.06468	0.4
153.05463	0.6
159.11703	0.6
162.03113	1.4
163.03906	9.2
165.06970	0.6
167.10721	0.3
171.98955	0.8
177.05466	100.0
177.12744	1.1
178.05823	1.2
186.05562	2.8
195.02879	1.0
195.06458	1.4
195.07892	0.5
195.08301	0.7
195.10164	1.4
195.12128	0.6
195.13889	0.8
195.17526	0.3
204.08359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.17934	0.5
55.05509	1.3
56.20525	0.5
57.07052	0.7
62.30454	0.5
63.02376	0.6
63.89136	0.6
67.05502	1.3
67.40590	0.5
69.03417	0.9
69.07055	1.1
69.35695	4.3
69.36105	0.9
75.61003	0.5
78.04710	0.5
79.05489	2.5
81.03419	1.0
81.07040	2.0
83.04954	1.2
89.03918	15.8
89.06018	1.6
91.05476	2.4
93.07027	2.4
95.04949	1.9
95.08591	2.4
97.06507	0.6
98.20721	1.2
98.97604	0.8
101.88449	0.6
103.05482	1.2
105.07018	1.1
106.04143	1.4
107.04936	2.4
107.08573	2.4
109.06519	1.2
109.10110	0.8
109.98965	0.7
111.04449	1.0
111.08102	0.6
117.03381	33.2
117.06992	1.0
119.08556	1.0
119.61314	0.5
121.02961	0.5
121.06506	1.9
121.10131	2.3
124.08734	0.6
133.10153	1.5
134.03638	4.6
135.04436	6.1
135.08070	2.0
135.11702	3.0
137.09654	1.4
138.06648	1.6
139.07626	0.6
145.02846	68.1
148.97380	1.3
149.05988	15.0
149.09596	1.0
149.13330	0.5
150.06390	1.0
153.05487	0.9
153.97900	0.7
156.74745	0.5
159.11761	1.2
162.03069	1.5
163.03918	9.6
171.98912	1.6
177.05469	100.0
177.12755	1.4
177.16466	1.2
178.05901	0.7
186.05542	2.4
195.02831	2.1
195.04761	0.5
195.06503	2.3
195.08629	1.6
195.10187	1.6
195.11856	0.9
195.13808	1.5
195.15649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	1.4
55.05509	4.2
56.05024	0.9
56.96551	1.8
57.03410	0.7
57.07069	1.3
60.44561	0.6
62.29337	0.6
65.03918	1.2
67.05508	3.6
67.40125	0.6
67.42477	0.7
68.96313	1.0
69.03422	1.8
69.07072	5.4
71.01347	0.7
71.04994	1.3
71.58939	0.7
77.69862	0.6
78.44090	0.6
79.05500	4.3
81.03397	1.9
81.06730	0.5
81.07056	5.9
82.41885	0.6
83.04974	6.2
83.06105	0.9
83.08615	0.7
84.08123	0.9
85.02892	1.0
89.03405	1.1
89.03917	15.7
89.06029	5.4
91.05466	4.7
93.07039	7.2
95.04960	3.6
95.06081	1.1
95.08607	6.0
97.06508	1.9
98.97569	0.9
99.05550	0.9
103.05477	1.6
105.07001	3.5
106.04167	1.1
107.04948	3.1
107.08588	9.0
109.06498	2.4
109.07587	0.8
109.10148	1.8
109.98918	0.9
110.07166	0.9
111.04429	2.0
111.05566	0.9
111.08079	3.3
116.98621	1.0
117.03380	34.1
117.07008	1.9
119.04914	0.9
119.08586	2.3
121.06475	3.5
121.10146	6.7
123.08058	1.9
123.11753	0.8
124.05192	0.8
125.05967	1.1
125.09548	1.2
130.96301	1.9
131.04935	1.1
131.08594	1.6
133.06454	0.8
133.10132	2.0
134.03636	4.8
135.04414	6.9
135.08064	4.0
135.11687	9.9
136.05031	1.1
136.08701	0.8
137.05888	1.9
137.09612	4.2
137.13159	1.1
138.06593	2.6
139.07547	0.7
141.05580	0.7
145.02843	65.3
146.03166	1.2
148.97359	3.0
149.05991	15.8
149.09625	4.2
149.13231	2.3
153.05455	3.9
153.12698	3.8
153.97894	1.3
159.11708	2.8
162.03110	1.8
163.03903	17.5
165.07005	1.9
167.07100	1.1
167.08574	1.1
168.05446	1.0
171.98973	3.6
177.05470	100.0
177.08844	4.7
177.12770	4.5
177.16380	3.2
180.09377	0.9
186.05540	2.9
195.02927	5.5
195.04521	0.9
195.06497	2.9
195.08932	4.9
195.10220	4.3
195.11748	2.2
195.13869	3.5
195.15724	1.7
205.68918	0.7
212.84540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	(-)-Salsoline
Peak:m/z	Relative Intensity
51.92730	0.7
55.05507	1.2
56.05038	0.9
56.96573	5.8
59.76856	0.5
60.04531	0.7
65.03949	0.8
67.05504	2.1
68.96338	1.1
69.03435	2.2
69.07063	1.1
70.06611	1.4
71.58974	0.6
71.59332	0.8
79.05496	2.0
81.03395	0.9
81.04539	0.9
81.07054	1.1
83.06136	0.6
84.04488	0.7
84.08152	2.0
85.02910	1.2
86.06085	0.6
86.09719	0.7
87.04472	0.9
89.06025	0.7
91.05481	12.0
93.07050	1.9
94.06537	0.9
95.04974	0.8
95.08617	0.8
98.06049	1.7
98.97632	1.2
103.05481	1.1
105.07043	1.3
106.06614	1.0
107.04972	1.4
107.08600	1.2
108.04465	0.9
109.02871	1.1
110.05995	1.1
111.04427	0.9
112.07629	0.9
115.05460	1.2
116.06245	3.7
116.98641	1.9
117.03401	0.9
118.03526	1.4
119.04948	1.3
120.08134	0.8
121.06490	2.4
123.04455	1.6
124.07607	1.0
125.07057	0.8
129.07018	2.4
130.08624	1.6
130.96288	1.0
131.04944	3.3
131.08574	57.5
132.04410	0.7
134.01337	0.8
134.06049	1.2
134.99661	2.6
135.04445	1.3
135.08087	0.7
135.11682	1.1
136.06172	1.3
136.07568	1.2
137.05981	4.5
138.06497	0.8
141.07018	3.4
144.05742	6.8
145.02756	0.7
146.99680	0.7
147.08046	0.7
148.05128	1.6
148.07562	4.0
148.97354	2.6
149.01149	0.7
149.04988	0.9
149.05974	4.5
149.08192	0.6
149.09642	1.1
151.07538	2.4
152.07083	0.6
153.97893	1.2
159.08057	70.3
160.08391	1.2
162.06740	2.0
163.03911	2.9
165.09023	1.2
166.05011	2.8
166.07324	1.0
166.08647	2.3
169.07582	1.9
171.98950	2.0
176.03473	1.8
176.07060	1.8
177.00729	1.6
177.05576	2.7
177.09109	100.0
178.09451	1.0
179.05806	0.7
188.92422	1.0
194.05254	2.7
194.08119	9.8
194.11765	53.8
194.15378	10.8
195.02907	1.2
195.06454	0.8
211.94040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.96598	0.8
55.01876	0.8
55.05507	6.8
56.96560	1.7
57.03440	1.8
57.07066	4.5
59.04996	1.8
65.03934	1.4
67.05184	1.0
67.05510	13.9
69.03415	2.9
69.07073	10.4
70.77826	2.4
71.04987	2.1
79.05495	7.1
81.03425	14.8
81.07060	12.4
83.04995	4.6
83.08629	3.8
85.06537	2.6
91.04958	1.5
91.05481	14.8
93.07045	13.7
95.04977	10.0
95.08611	24.1
97.06541	2.9
99.08101	1.8
102.13889	0.8
103.05449	2.3
105.07030	21.4
107.04958	1.5
107.08595	14.4
109.06516	4.1
109.07628	1.1
109.10152	27.4
111.04450	1.4
111.08041	1.8
115.05484	2.0
117.07004	3.1
119.04943	1.3
119.08584	58.6
120.08906	0.9
121.06518	1.3
121.10143	7.8
122.14834	0.8
123.04414	1.4
123.08071	5.9
123.11705	3.4
125.02382	0.8
129.05566	0.9
129.06984	2.3
131.08563	4.1
133.02850	4.2
133.06499	7.8
133.10135	72.6
134.07014	1.1
134.10457	2.0
135.08067	5.5
135.11696	20.3
136.07538	0.8
137.05966	3.2
137.09625	10.1
145.10127	3.7
146.97487	1.0
146.99678	1.2
147.04475	1.3
147.08018	2.0
147.11679	18.2
149.02394	1.4
149.05931	1.4
149.09599	3.1
149.13280	5.7
151.07578	1.7
151.11166	2.5
151.14830	4.8
157.10118	3.1
160.12456	2.8
161.05971	4.7
165.05396	1.4
173.13281	1.1
175.03922	1.0
175.07483	1.7
175.11427	4.2
175.14825	100.0
176.15178	2.9
178.02618	3.1
193.04956	17.0
193.06821	1.2
193.07156	0.8
193.08652	7.5
193.10457	1.5
193.12209	5.3
193.15897	26.4
194.08128	1.1
194.15459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.58022	0.8
53.03941	1.9
55.01865	2.7
55.05513	6.1
56.96562	1.7
57.03429	2.3
57.07066	3.5
59.04983	1.2
65.03938	1.0
66.71426	0.9
67.05508	7.9
69.03415	2.8
69.07068	7.5
71.04983	3.2
71.50716	1.3
72.68573	0.8
79.05497	10.9
81.03418	4.2
81.07060	13.9
83.04972	3.6
83.08611	3.5
85.06542	3.1
91.05482	16.6
92.05762	1.1
93.07048	14.5
95.04974	9.2
95.08611	16.6
97.06538	5.4
97.10193	1.3
99.08080	2.5
103.05489	7.7
104.06232	3.8
105.07035	73.3
107.04938	1.4
107.08597	25.4
108.08886	1.0
109.06538	9.8
109.10157	19.1
109.64990	0.9
111.04423	1.2
111.08059	2.7
115.05464	13.0
117.07061	0.9
118.04160	5.5
119.04961	1.1
119.08589	27.1
121.10146	7.1
123.04376	1.1
123.08075	9.0
123.11720	5.8
124.08770	0.8
126.64328	0.8
129.05563	0.8
129.06955	1.6
130.06433	1.1
131.04924	3.3
131.08537	1.4
132.05725	4.0
133.02853	6.5
133.06502	54.3
133.10135	69.2
134.06877	1.7
134.10521	1.3
135.04318	1.1
135.08031	2.3
135.11696	45.2
137.05988	5.9
137.09621	7.4
143.06003	4.0
145.10109	1.6
146.97456	1.7
146.99684	1.1
147.04436	2.4
147.08034	1.8
147.11685	11.9
149.02350	1.8
149.05957	3.8
149.09636	1.0
149.13222	2.8
149.26311	1.1
150.03156	1.1
151.07524	2.3
151.11180	3.0
151.14836	1.2
160.05222	2.6
161.05992	47.7
162.06367	1.3
165.05531	2.6
165.09106	1.4
165.12804	1.2
175.11179	3.8
175.14835	49.5
176.15170	1.2
178.02632	5.1
178.06264	3.5
193.04999	30.7
193.08609	100.0
193.12216	8.2
193.15894	30.7
193.17668	1.9
194.08868	3.3
194.11703	0.9
194.15427	3.3
210.47948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03928	0.9
54.74164	0.5
55.01859	0.6
55.05510	4.7
57.03436	1.0
57.07074	2.9
59.04979	2.0
67.05187	0.5
67.05511	9.8
68.95294	0.5
69.03423	0.9
69.07069	9.7
70.83717	1.1
70.84093	1.1
77.03902	0.6
79.05492	4.1
81.03428	4.7
81.07058	7.4
83.04958	1.6
83.08603	2.2
85.06532	1.3
88.85483	0.6
91.05483	12.9
91.06700	0.5
91.51200	0.5
92.05804	0.6
92.55483	0.5
93.07047	6.6
95.04972	3.2
95.08612	19.2
97.06542	2.7
99.04430	0.6
99.08087	1.3
103.05475	0.6
105.07034	15.7
107.04977	0.6
107.08601	8.2
109.06498	1.9
109.10159	19.7
117.07026	1.7
119.01946	0.5
119.08587	50.6
121.10150	5.3
123.08075	3.1
123.11700	1.9
129.06914	0.8
131.08557	2.2
133.02840	1.5
133.06494	1.8
133.10136	63.2
134.10951	1.1
135.08107	1.0
135.11707	15.8
137.05978	1.9
137.09628	8.9
145.10136	3.4
146.10936	1.0
147.08075	1.0
147.11694	19.7
149.13264	5.8
151.11140	1.1
151.14819	4.1
157.10132	1.2
159.11681	0.8
160.12506	2.4
161.05959	1.2
163.03900	0.5
165.12732	0.7
173.13304	0.9
175.11284	2.9
175.14833	100.0
176.08618	0.6
176.15182	2.2
178.02638	0.8
193.04970	4.4
193.08598	1.6
193.12270	2.5
193.15903	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03950	3.5
55.01866	4.1
55.05516	25.3
56.96550	6.6
57.03434	5.5
57.07067	7.7
59.04985	4.3
65.03909	3.3
67.05508	37.7
69.03439	14.4
69.07066	26.8
70.93014	5.8
71.04980	4.9
79.05495	24.6
81.03424	20.3
81.07059	40.8
83.04977	26.6
83.08630	12.9
85.06527	6.3
90.06975	2.6
91.04962	4.2
91.05484	58.2
93.07043	33.0
95.04963	27.5
95.08062	3.0
95.08614	52.3
95.17693	2.4
97.06529	14.0
97.10178	4.5
98.20803	3.3
99.08078	5.0
99.19635	2.7
99.20282	2.4
103.05455	11.8
104.06274	3.8
105.07034	89.8
106.07333	3.7
107.04993	6.4
107.08590	40.8
108.08963	2.8
109.06527	28.1
109.09459	4.6
109.10161	67.8
111.04464	5.6
111.08069	9.8
111.11722	3.3
114.50549	2.3
115.05461	12.4
117.07002	4.8
119.04976	5.2
119.08583	67.7
121.06530	3.9
121.10139	28.4
122.03691	2.8
123.08082	39.9
123.11694	10.8
128.98744	2.5
129.05559	3.2
129.06949	2.6
131.08537	7.4
132.05630	5.1
133.02861	20.6
133.06499	56.0
133.10135	81.4
134.07034	4.5
134.10434	3.2
135.08028	7.3
135.10684	4.0
135.11697	78.1
137.06007	13.9
137.09610	29.3
138.10417	6.0
145.10127	2.7
146.97447	6.3
146.99626	6.1
147.04393	5.5
147.08061	4.9
147.11717	24.8
148.07559	3.4
149.02338	3.5
149.05978	6.4
149.13281	15.7
151.03920	2.4
151.07497	4.6
151.10010	2.9
151.11183	11.4
151.14821	7.5
157.10118	4.9
161.05983	54.0
165.05447	3.7
165.09106	2.6
165.12729	2.7
165.16293	3.7
175.04028	3.8
175.07524	6.3
175.11171	10.4
175.14842	81.3
178.02599	15.1
193.04961	100.0
193.08607	66.5
193.10487	6.9
193.12187	26.6
193.15903	96.5
193.17664	4.7
194.05460	3.7
194.08218	10.2
194.15442	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.93422	2.1
51.95679	1.6
53.03933	3.7
55.05507	11.6
57.07073	2.1
61.90997	1.9
67.05508	14.5
69.03405	3.1
69.07065	28.5
70.04089	10.4
70.45570	2.2
71.04988	17.3
73.65643	1.9
79.05486	10.2
81.03428	3.6
81.07053	26.4
83.04985	3.5
83.08599	3.2
84.26798	1.8
85.06541	11.6
91.05478	9.0
92.62756	2.0
93.07051	32.5
95.04976	34.0
95.08601	26.7
97.06528	6.0
97.10183	12.3
98.21466	2.6
99.08106	5.3
103.05462	2.0
105.07037	27.9
106.44253	1.7
107.08600	32.6
109.06522	90.2
109.10168	18.2
111.04435	2.3
111.08051	7.4
111.11731	4.2
119.08585	29.4
121.10150	9.1
123.08071	9.4
123.11707	22.9
129.49855	2.0
133.02829	7.7
133.06503	10.4
133.10136	29.2
135.11693	41.6
137.05965	4.0
137.09615	13.5
146.97401	2.2
147.04433	3.6
147.11681	8.3
149.02333	6.2
149.06003	2.8
149.13268	12.0
151.11165	5.0
151.14816	2.4
161.05972	9.1
165.05473	4.5
166.08711	2.2
175.03992	1.8
175.07594	3.1
175.11143	2.2
175.14818	52.1
178.02609	6.1
178.08105	2.9
193.04953	54.2
193.06752	3.7
193.08580	8.0
193.10469	5.1
193.12164	9.5
193.15874	100.0
194.00456	1.8
194.08138	4.7
194.15334	3.7
204.04160	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.02390	0.7
51.21404	0.6
55.05512	5.3
57.03424	0.7
57.07084	3.5
67.05229	0.6
67.05508	7.5
69.07072	10.1
70.93120	1.7
78.36755	0.6
79.05486	2.7
81.03429	6.5
81.07056	7.2
83.04987	2.1
83.08625	4.3
84.56435	0.8
85.06540	1.8
91.05489	6.7
91.28442	0.7
93.07053	7.2
95.04992	3.6
95.08616	21.0
95.09223	1.1
97.06492	0.8
102.03331	0.7
105.07034	16.9
107.08598	6.6
109.06492	2.1
109.10157	20.9
109.10922	1.1
111.08072	0.8
115.05440	0.9
117.07032	1.5
119.08585	52.7
121.10149	6.1
122.10495	0.8
123.08065	2.8
123.11713	2.3
131.08551	2.0
133.06514	4.9
133.10133	60.5
134.10432	1.4
135.10777	1.5
135.11688	15.2
137.09608	9.1
137.10568	0.9
140.54605	0.7
145.10110	4.1
147.11687	16.0
148.11931	0.8
149.13260	5.5
151.11200	0.9
151.14780	5.2
157.10112	1.0
159.11603	1.2
160.12527	3.5
161.05983	3.2
173.13237	1.2
175.14830	100.0
176.15189	2.5
179.55045	0.7
193.04962	3.0
193.08609	5.3
193.12221	2.1
193.15900	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.01600	0.3
51.02388	0.4
53.03942	3.6
55.01871	3.4
55.05259	0.6
55.05508	8.2
56.96558	0.8
57.03433	2.5
57.07065	1.1
59.04984	0.4
64.05958	0.3
65.03929	2.2
67.05501	22.5
68.05832	0.3
69.03431	3.4
69.06725	0.4
69.07066	3.9
71.01374	0.6
71.04993	2.3
71.58293	0.4
72.17961	0.3
73.02928	0.5
78.96313	0.3
79.05490	17.3
80.05807	0.3
81.03413	100.0
81.06574	0.7
81.07048	13.1
82.03743	0.6
83.04482	0.4
83.04975	5.4
83.08614	13.0
85.02897	0.7
85.06537	1.4
91.05479	19.8
92.05794	0.4
93.07037	9.2
95.04964	40.0
95.08602	6.3
96.05296	0.3
97.02892	2.2
97.06532	1.2
97.10174	0.8
98.97555	0.3
99.08074	1.5
99.87434	0.3
103.05463	1.4
105.04487	0.5
105.07026	18.6
106.07367	0.4
107.04952	8.5
107.08585	5.6
109.06509	4.3
109.10149	5.4
110.97534	0.4
111.04443	2.2
111.08073	3.1
115.05441	2.8
117.07021	1.7
118.04179	0.5
119.01879	0.6
119.04908	1.6
119.08574	15.1
120.08965	0.4
121.06500	2.3
121.10129	4.8
122.06058	0.4
123.04434	0.8
123.08081	1.9
123.11708	0.7
128.06258	0.4
128.98633	0.4
129.05507	0.5
129.07004	7.4
131.04942	0.4
131.08553	7.6
133.02879	1.9
133.06488	9.5
133.09103	0.7
133.10117	13.2
134.07069	0.3
135.08037	1.1
135.11687	4.3
137.06018	2.0
137.09621	3.1
139.03940	0.4
142.07777	3.1
145.06467	0.4
145.10100	0.9
146.97430	0.3
146.99623	0.5
147.04393	0.6
147.08043	4.7
147.11671	7.2
149.02347	1.5
149.05977	1.1
149.09613	4.5
149.13210	1.1
151.07542	0.9
151.11208	0.8
151.14799	0.7
157.08929	0.6
157.10123	6.8
160.05124	0.4
160.12331	0.3
161.05978	5.7
165.05428	0.7
165.09134	0.4
165.12733	1.2
166.08688	0.4
171.02304	0.9
175.11174	7.2
175.14813	10.7
178.02629	1.8
181.05719	0.5
190.06253	0.4
193.03407	0.4
193.04941	9.2
193.08606	9.2
193.10634	0.5
193.12241	14.3
193.15889	5.8
194.04385	0.4
194.08037	0.5
194.15388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03937	7.2
55.01875	9.3
55.05512	18.6
56.96551	4.6
57.03425	7.4
57.07067	2.3
59.05000	2.2
65.03941	3.5
66.83767	1.8
67.05178	2.6
67.05510	40.6
67.10837	1.3
69.03410	7.0
69.07076	15.9
71.04992	8.8
71.59692	2.5
79.05066	2.7
79.05499	43.6
81.03423	94.8
81.07059	36.2
83.04985	12.2
83.08615	15.4
85.02905	2.0
85.06554	4.1
87.04482	2.2
88.77071	1.6
91.05486	100.0
93.07050	46.1
93.28114	1.6
95.04976	52.1
95.08140	1.6
95.08617	17.8
97.06560	12.4
97.10166	1.7
99.08118	1.7
103.05466	6.1
104.06273	2.1
105.04533	1.5
105.07037	80.4
107.04973	9.7
107.08597	16.9
109.02879	2.4
109.06537	17.6
109.10165	13.0
111.04407	4.0
111.08053	4.9
115.05444	9.9
117.07023	3.9
118.04166	2.1
119.04963	2.8
119.07809	2.9
119.08591	45.1
121.06499	5.6
121.10141	10.5
123.04424	1.8
123.08123	10.7
128.06189	1.6
128.98642	2.5
129.07007	17.3
131.08578	24.1
132.05687	2.6
133.02832	12.6
133.06505	39.0
133.10138	92.0
135.08015	8.0
135.11702	15.6
137.05974	7.4
137.09604	11.2
142.07777	5.9
143.05966	2.0
145.05006	1.8
145.10135	2.8
146.97423	3.0
146.99658	4.0
147.04398	2.4
147.08049	10.0
147.11697	38.9
149.05998	2.0
149.09613	23.4
149.13287	4.1
150.03119	2.1
150.89481	1.6
151.07550	2.8
151.11130	4.6
151.14781	1.9
154.05550	3.1
157.10141	27.9
161.05998	28.1
165.05469	4.6
165.09082	3.4
165.12769	2.2
168.61276	1.7
175.03871	4.0
175.07603	2.0
175.11197	40.1
175.14828	30.1
176.83907	1.5
178.02588	9.0
190.08539	2.9
193.04980	52.2
193.08614	52.4
193.10451	3.6
193.12242	52.9
193.15924	21.6
194.08069	2.1
194.11952	1.8
194.15472	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02386	0.4
52.63596	0.5
53.03940	3.2
53.41431	0.5
53.90482	0.4
55.01875	4.5
55.05513	7.1
56.96564	4.8
57.03439	4.6
57.07074	1.1
65.03953	2.2
67.05506	23.0
69.03436	3.4
69.07067	4.2
70.98134	0.5
71.04991	1.6
71.32186	0.8
71.37619	0.4
77.03899	0.5
79.05493	18.8
79.88793	0.5
81.03417	100.0
81.06577	0.8
81.07058	15.4
82.03737	0.6
83.04983	4.7
83.08139	0.8
83.08620	13.2
83.09116	0.8
85.02911	0.6
85.06540	1.3
91.04895	0.6
91.05480	24.1
93.07047	12.7
95.04968	38.9
95.08604	6.4
97.02900	2.9
97.06543	2.1
97.10186	1.0
99.08042	0.7
99.33549	0.5
103.05438	2.7
104.06272	0.9
105.07030	28.5
107.04956	8.4
107.08592	6.1
109.06526	4.7
109.10159	4.7
111.04449	2.1
111.08054	3.6
115.05463	4.8
116.00218	0.7
116.06223	0.5
116.29066	0.5
117.07010	2.1
118.04163	1.2
119.04955	3.6
119.08581	17.2
120.05301	1.7
120.32693	0.4
121.06531	3.3
121.10139	4.8
122.03607	0.5
123.04416	0.9
123.08051	2.1
123.11700	1.1
128.06256	0.5
128.98491	0.5
129.05550	0.6
129.07005	8.4
131.04910	1.0
131.08572	6.9
132.05667	0.6
133.02861	3.6
133.06499	19.2
133.10129	14.5
135.04402	0.5
135.08061	1.6
135.11682	4.4
136.12080	0.5
137.05992	1.8
137.09610	2.9
142.07787	3.3
145.10139	1.5
146.99625	0.8
147.08035	4.3
147.11693	8.2
149.02342	0.7
149.06000	1.3
149.09622	5.4
149.13293	1.1
150.06213	0.7
151.07538	0.6
151.11188	0.7
151.14839	0.5
157.10124	7.6
159.06778	1.2
161.05989	13.3
161.57082	0.8
163.11194	1.3
164.11530	1.5
165.05487	0.6
165.09149	0.5
165.12772	1.9
175.11186	9.0
175.14828	12.0
176.06987	0.5
178.02611	2.4
178.06250	0.7
193.04961	12.6
193.08606	23.9
193.10284	0.9
193.12256	12.8
193.14171	2.1
193.15842	5.1
193.17661	0.7
194.15442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03944	10.8
55.01862	5.6
55.05511	13.1
56.96558	9.5
57.03411	4.5
57.07074	4.2
59.04986	4.0
64.74633	2.7
65.03955	3.9
67.05511	42.3
69.03429	7.6
69.07070	16.3
70.71590	3.2
70.71918	7.2
71.04984	11.7
79.05053	5.5
79.05493	62.8
81.03424	16.6
81.07061	42.9
83.04979	12.8
83.08616	8.1
85.06539	5.2
86.37608	2.8
91.05485	96.1
91.37923	2.5
93.06467	5.6
93.07050	100.0
95.04974	35.1
95.08620	16.7
96.41035	2.4
97.06524	10.2
103.05492	6.8
104.06283	2.7
105.07033	94.4
107.04957	7.2
107.08606	18.1
109.06525	19.7
109.10161	12.3
111.04462	3.3
111.08056	3.5
113.06034	4.5
115.05454	9.9
117.07015	3.5
118.04151	6.1
119.04964	2.9
119.08582	45.7
121.06601	3.0
121.10143	7.8
123.04476	4.0
123.08094	7.1
123.11682	4.5
129.07024	17.5
131.04996	2.5
131.08565	20.8
132.05724	3.4
133.02852	13.6
133.06493	50.0
133.10135	99.8
135.08008	4.9
135.11696	15.0
137.06003	11.6
137.09637	6.3
142.07785	4.3
143.05402	3.3
146.99667	5.4
147.05150	5.4
147.08099	7.5
147.11702	41.9
150.06253	4.0
151.07532	4.2
156.11182	2.5
157.10129	30.8
159.06697	6.6
161.06000	38.8
165.06183	13.9
165.12714	4.3
170.06633	12.2
175.03931	4.1
175.11143	24.9
175.14867	20.8
178.02620	10.5
178.08191	5.0
188.07733	9.6
193.04970	71.3
193.08626	80.5
193.10439	11.4
193.12204	53.8
193.15919	18.8
193.17622	4.3
194.15335	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.01601	0.5
53.03945	3.9
55.01872	3.6
55.05507	7.7
56.96568	5.1
57.03432	3.1
57.07076	1.3
59.04992	0.7
61.04031	0.5
65.03942	2.2
67.05503	26.4
69.03436	3.1
69.07068	5.3
69.35248	0.5
69.80610	2.2
70.98122	0.7
71.04993	3.9
79.05492	23.8
81.03417	100.0
81.07053	17.4
83.04978	6.7
83.08617	14.8
85.02911	1.1
85.06536	1.7
88.99150	0.7
91.05479	29.4
93.07041	28.1
95.04966	40.7
95.08604	7.7
97.02892	2.4
97.06524	2.3
97.10136	0.7
99.08102	1.1
103.05439	3.4
104.06273	1.1
105.04555	0.7
105.07029	36.1
107.04958	8.4
107.08584	11.6
109.06515	5.8
109.10159	5.8
111.04426	2.5
111.08079	2.7
113.06010	1.1
115.05466	5.1
117.07008	1.5
118.04160	2.0
119.04954	1.2
119.08580	22.0
121.06512	2.4
121.10142	5.2
123.08070	2.9
123.11720	1.4
129.05469	0.8
129.07005	10.5
130.07320	0.6
131.04933	0.9
131.08572	10.8
132.05707	1.0
133.02870	4.0
133.06488	20.5
133.09113	1.2
133.10130	25.4
135.08028	1.2
135.11693	11.6
137.05981	2.4
137.09628	3.7
142.07765	3.2
143.06041	0.7
145.10130	1.8
145.26047	0.6
146.97455	0.6
146.99644	1.6
147.04373	0.5
147.08038	5.4
147.11687	12.1
149.00241	0.6
149.05984	1.1
149.09628	4.4
149.13243	0.6
150.03104	0.6
150.06241	2.2
151.11238	1.1
157.10126	10.3
159.06749	2.1
160.05173	0.6
161.05983	14.8
161.56979	0.7
163.11343	0.6
165.05505	1.4
165.12674	0.8
169.99059	0.6
170.57446	0.9
175.09750	0.9
175.11191	11.4
175.14832	12.2
178.02602	3.3
183.34879	0.5
193.03242	1.2
193.04964	16.0
193.08603	29.1
193.10258	1.2
193.12218	19.2
193.15897	4.5
193.17508	0.8
194.08054	0.9
195.29797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03956	0.8
55.01874	2.5
55.05501	0.8
56.96554	0.9
57.03436	0.7
59.82639	0.4
67.05511	2.7
69.03434	1.1
69.07063	1.1
70.04198	2.7
77.03926	0.7
78.04711	0.6
79.05494	7.5
81.03426	3.7
81.07045	2.1
83.04973	0.8
83.08613	0.8
85.02903	0.6
85.06528	0.6
88.61394	0.4
91.05485	6.2
93.07040	2.0
95.04964	3.8
95.08595	3.0
95.59148	0.5
103.05464	6.3
104.04474	0.4
104.06268	4.2
105.07036	56.6
106.07379	1.3
107.04951	1.0
107.08595	2.4
109.06528	0.8
109.10160	2.2
115.05453	11.5
118.04163	5.1
119.08585	5.9
121.10172	1.0
123.08050	0.9
123.11761	0.6
128.98599	0.7
131.04933	2.6
131.08578	0.5
132.05719	3.8
133.02907	2.6
133.06499	53.2
133.10126	6.2
133.46385	0.5
134.06827	0.9
135.07997	0.8
135.11699	2.0
137.05956	1.8
137.09621	1.3
143.04994	0.9
143.06044	3.2
147.04398	0.8
147.08037	0.8
147.11671	3.0
149.02348	0.8
149.05992	2.3
149.09666	0.6
151.11127	0.8
160.05186	1.5
161.05986	39.2
175.07599	1.2
175.11127	1.5
175.14815	6.4
177.05365	0.5
178.02614	2.2
178.06274	2.6
193.04993	11.9
193.08614	100.0
193.15871	2.3
194.08986	1.5
194.15433	1.2
202.21008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01875	1.9
59.29205	0.3
63.56547	0.3
64.96985	0.4
65.03955	0.5
67.05481	0.5
71.26601	0.8
74.51399	0.3
78.04711	0.5
79.05492	5.9
81.03414	0.8
81.07073	0.4
89.03293	0.3
90.04715	0.5
91.05476	2.6
93.07077	0.6
95.04982	1.3
103.05473	7.6
104.06261	4.2
105.07030	54.2
106.07376	0.8
107.04977	0.6
107.08556	0.5
115.05450	11.2
115.49258	0.3
117.07052	0.4
118.04157	5.1
119.08611	0.6
119.69056	0.3
120.84944	0.3
121.61897	0.3
130.04161	0.4
131.04922	2.4
132.05710	4.5
133.06493	51.9
133.10147	0.8
134.06866	0.6
135.11739	0.5
137.05974	0.4
143.04927	0.9
143.06049	3.7
148.05336	0.3
149.06007	2.1
160.05235	2.8
161.05978	42.6
162.06470	1.1
163.03940	0.3
175.14799	0.8
178.02742	0.4
178.06256	3.0
186.92665	0.4
193.05069	2.5
193.08606	100.0
194.08960	1.9
196.58572	0.3
197.61063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03928	1.4
55.01877	3.0
55.05496	3.0
56.96553	1.2
57.03421	1.5
57.07061	2.8
57.75631	0.6
59.05013	0.8
60.95850	0.7
65.03918	0.9
67.05505	5.2
69.03430	1.1
69.07062	3.7
69.73464	2.3
69.73872	2.0
71.04982	2.8
78.04692	1.1
79.05496	11.3
81.03420	2.4
81.07062	9.4
83.04971	1.2
83.08624	1.5
85.06521	1.2
89.13520	0.6
91.05479	10.9
93.06469	1.2
93.07042	17.7
94.30699	0.6
95.04965	4.7
95.08141	0.7
95.08617	8.0
103.05482	7.8
104.06267	4.6
105.03403	0.6
105.07031	70.3
106.07365	1.3
107.04942	1.0
107.08598	25.9
109.06511	3.7
109.10151	4.3
111.08054	2.0
111.40396	0.7
115.05448	12.8
118.04153	4.1
119.08580	16.5
121.10130	2.7
123.08088	3.9
123.11731	4.1
127.07523	1.1
129.06987	0.8
131.04942	2.8
131.08540	1.1
132.05711	4.0
133.02881	4.8
133.06493	59.9
133.10130	22.3
134.06842	1.5
135.08083	1.2
135.11688	51.3
137.05956	2.3
137.09637	5.0
143.04997	0.8
143.06078	3.2
143.65385	0.7
146.97449	0.9
147.04378	0.8
147.08029	0.9
147.11693	5.6
149.02332	1.0
149.05963	2.7
149.07086	1.1
149.13226	1.0
150.06796	0.9
151.07584	1.0
151.11134	0.8
157.10054	0.7
160.05202	2.8
160.58014	0.8
161.05981	46.7
162.06569	0.7
165.05473	0.9
165.09175	0.9
175.03828	0.8
175.07597	0.9
175.11201	1.3
175.13284	1.2
175.14825	25.5
178.02661	3.5
178.06252	4.2
193.04987	17.7
193.08611	100.0
193.12123	5.4
193.15845	13.7
193.17438	1.0
194.09128	1.4
194.15437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01877	2.0
55.05504	0.4
56.96560	0.4
65.03937	0.3
66.28361	0.3
67.05492	0.5
69.07077	0.4
77.03924	0.6
78.04713	0.7
79.05495	5.8
81.03421	1.4
81.07053	0.6
86.19751	0.3
91.05482	3.3
93.07030	0.6
95.04971	1.6
95.08621	0.6
98.21500	0.9
103.05466	7.6
104.06255	3.7
105.07031	52.2
106.07362	0.6
107.04974	0.6
107.08571	0.5
109.10179	0.6
109.97533	0.4
115.05460	10.7
118.04160	4.8
119.04894	0.4
119.08572	0.9
121.10119	0.4
123.08108	0.3
123.95898	0.3
131.04919	3.0
132.05722	3.2
133.06494	51.3
133.10149	0.8
134.06805	1.1
137.06047	0.4
137.09671	0.3
143.05008	0.6
143.06033	3.2
147.04489	0.3
147.11690	0.5
149.05991	1.8
150.06754	0.8
160.05183	2.5
161.05981	42.0
162.06453	1.1
175.11183	0.6
175.14825	1.2
177.05394	0.4
178.06284	3.5
193.05070	2.5
193.08607	100.0
194.08986	2.4
206.89803	0.3
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
51.19778	0.5
53.03936	1.1
55.01857	2.7
55.05496	1.4
55.67828	0.6
57.03418	0.6
57.07051	0.8
65.65279	0.6
66.85061	0.6
67.05507	4.1
69.03407	1.2
69.07056	1.8
69.21444	0.6
71.04978	0.5
71.31944	0.6
71.32300	1.0
72.82233	0.6
76.09728	0.6
79.05495	7.1
79.57538	0.6
81.03422	5.8
81.07030	3.2
83.04973	1.4
83.08611	0.8
91.05475	7.3
93.07041	3.0
95.04974	4.9
95.08609	3.4
97.06496	1.0
98.00359	0.6
103.05471	7.7
104.06264	4.7
105.07030	62.3
106.07336	0.9
107.04952	2.1
107.08625	3.7
109.06499	1.9
109.10155	3.3
111.04430	1.2
111.80417	0.6
115.05450	11.8
118.04160	4.2
119.04929	1.0
119.08587	8.1
121.10118	1.2
123.08043	1.5
123.11739	0.8
128.98587	0.7
129.06998	1.0
131.04907	2.5
132.05682	3.8
133.02853	4.2
133.06490	52.6
133.10123	11.0
134.06836	1.2
135.08029	1.7
135.11694	3.2
137.05978	2.9
137.09610	2.2
143.04907	1.6
143.06035	2.7
146.97415	0.6
146.99684	0.7
147.04413	1.0
147.08057	1.5
147.11702	3.7
149.02252	0.7
149.05954	2.1
151.07547	1.0
151.11208	1.0
157.10187	0.6
160.05196	1.9
160.88286	0.6
161.05978	44.3
161.57002	0.7
162.06337	0.8
165.05527	0.7
165.12747	0.7
175.07526	1.5
175.11188	1.8
175.14830	10.0
178.02612	4.3
178.06248	2.9
193.04971	16.4
193.08604	100.0
193.12102	5.0
193.15862	4.6
193.17516	1.0
194.08873	2.2
194.15413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01852	1.1
55.05501	4.4
57.03425	1.4
57.07074	1.1
59.04984	3.0
59.17151	1.0
67.05501	5.0
69.03423	4.0
69.07054	9.0
70.65539	3.1
71.04977	3.4
79.05490	6.7
81.07054	10.2
83.04964	3.7
83.08604	4.1
85.06561	5.5
91.05481	15.1
93.07050	12.6
95.04975	4.6
95.08613	8.3
97.06524	8.1
99.08076	1.6
103.05444	1.0
105.07027	40.1
107.04968	1.6
107.08595	29.6
109.06511	7.1
109.10156	8.0
111.08083	1.9
115.05509	1.0
117.07011	5.9
119.08576	21.2
121.06490	9.3
121.10149	16.9
123.08050	5.0
129.07002	5.3
130.07741	1.5
131.08571	47.5
133.10132	100.0
134.10445	1.4
135.08066	13.2
135.11681	2.8
143.08588	9.1
144.09358	3.7
145.10123	23.3
147.11671	16.5
149.09639	11.2
149.13260	20.8
158.10915	17.1
161.09631	1.6
161.13278	2.4
163.11198	2.8
163.14854	3.5
171.11714	1.5
173.13268	72.1
174.13596	1.3
191.06827	1.1
191.10703	2.0
191.14310	60.8
193.88710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.06875	0.9
53.03941	1.7
53.08391	0.8
55.01868	1.7
55.05511	7.0
55.25406	0.8
56.96552	1.3
57.03439	1.8
57.07058	3.0
59.04983	1.9
62.47300	0.8
65.03961	1.6
67.05513	7.5
69.03431	14.9
69.07072	10.5
69.34533	10.2
71.05003	4.4
78.38824	0.8
79.05496	14.0
81.03419	1.9
81.07059	13.9
83.04974	8.9
83.08617	3.2
85.06536	3.0
89.03956	1.1
91.05480	22.7
93.07047	17.8
95.04967	5.4
95.08620	9.6
97.06523	5.0
98.21613	1.0
103.05438	2.5
105.07033	31.8
107.04963	9.3
107.08601	37.2
109.02871	3.0
109.06530	9.4
109.10160	7.9
111.08080	2.1
115.05459	3.6
116.06243	1.4
117.07032	8.5
119.04939	0.9
119.08588	15.2
121.06513	9.9
121.10142	22.8
122.07290	1.4
123.08096	6.9
123.11684	2.6
128.06157	1.1
129.07021	3.6
130.07759	2.3
131.04976	2.0
131.08572	30.6
133.10135	62.7
135.04440	1.2
135.08070	19.1
135.11688	7.7
137.05957	2.8
137.09637	7.5
143.08551	6.6
144.09354	3.3
145.06487	3.0
145.10114	21.7
146.05994	1.6
147.08022	2.4
147.11700	15.5
148.08813	1.1
149.02367	1.0
149.05980	3.0
149.09608	10.3
149.13263	12.9
157.10138	1.2
158.10938	9.8
159.08075	5.2
161.09621	3.2
161.13232	1.9
162.05515	1.3
163.03905	1.4
163.07565	4.2
163.11200	5.2
163.14821	3.3
164.07077	1.1
168.04916	0.9
171.11636	1.2
173.09666	7.8
173.13266	37.1
174.13586	1.0
176.04710	1.3
176.12029	1.7
176.31404	0.9
191.03383	6.9
191.05501	1.2
191.06967	6.3
191.09068	1.3
191.10678	15.8
191.14313	100.0
191.17934	2.8
192.06497	1.3
192.10268	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32997	1.2
52.85020	1.3
53.03935	2.4
55.05507	8.5
56.96558	2.0
57.07068	3.0
59.05002	2.2
65.03918	2.0
67.05500	10.0
69.03426	13.5
69.07076	8.3
70.22220	5.3
71.04981	4.2
75.47357	1.4
79.05504	12.0
81.03409	1.7
81.07064	15.7
83.04977	8.2
83.08598	3.6
85.06525	2.0
89.03896	2.4
91.05470	22.5
93.07040	24.7
95.04974	7.1
95.08596	12.0
95.09479	1.6
97.06538	7.1
103.05450	4.9
105.07030	32.5
107.04928	8.5
107.08594	44.7
109.02880	1.7
109.06497	7.5
109.10152	10.2
111.08057	2.7
115.05473	1.9
115.97755	1.2
117.07014	10.9
119.04961	1.3
119.08574	24.1
121.02863	1.5
121.06487	8.1
121.10139	25.8
123.08083	9.8
123.11715	7.3
128.06253	2.5
129.06985	4.8
130.07805	2.1
131.04916	3.5
131.07584	2.2
131.08568	41.1
133.06535	1.3
133.10127	44.8
134.86266	1.2
135.04424	1.4
135.08051	22.5
135.11697	7.6
136.08711	1.0
137.05975	1.4
137.09608	3.9
143.08623	5.8
144.09421	2.9
145.06456	4.5
145.07507	1.3
145.09041	2.0
145.10114	23.9
146.06017	2.0
147.08038	1.8
147.11690	14.0
148.08739	1.2
149.01175	1.4
149.05894	2.9
149.09630	11.3
149.13271	13.5
155.08549	1.7
158.07120	1.4
158.10881	9.0
159.08044	9.3
161.09622	2.9
161.13249	2.7
163.07466	3.7
163.11203	4.4
163.14784	8.0
173.09639	6.8
173.13269	39.6
176.11945	2.3
191.03394	16.8
191.07007	9.6
191.08989	1.8
191.10696	18.8
191.14307	100.0
191.17947	3.4
192.06464	1.9
192.10225	3.5
192.14696	2.0
192.17456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05521	4.1
57.03442	1.0
57.07073	1.7
57.20331	0.7
59.04983	0.8
62.52317	0.7
62.52666	0.7
67.05517	4.2
69.03429	10.9
69.07066	6.6
70.96462	1.1
70.96822	1.7
71.04987	2.4
79.05498	10.8
81.07053	9.7
83.04983	4.4
83.08624	2.4
85.06551	2.2
91.05483	11.2
91.52505	0.6
93.07052	11.7
95.04961	2.1
95.08611	6.9
97.06544	1.7
103.05465	1.7
105.07026	17.1
107.04958	4.5
107.08598	29.1
109.06536	4.3
109.10159	8.4
111.08068	1.9
115.05467	2.3
116.98542	0.8
117.07005	3.9
119.08595	8.6
121.06497	5.5
121.10155	16.5
122.07256	2.5
123.08047	6.4
123.11686	1.4
129.07030	1.8
130.07793	0.9
130.79840	0.8
131.04915	1.0
131.08574	16.6
133.10136	100.0
134.10429	0.8
135.08076	12.2
135.11650	3.6
136.08798	1.5
137.09625	17.3
143.08592	3.5
144.09358	1.1
145.06493	1.3
145.10126	11.8
147.11674	7.1
149.01291	0.7
149.09622	6.3
149.13274	13.6
158.10901	5.3
159.08086	0.8
161.09668	1.3
163.07550	1.3
163.11182	1.5
163.14789	3.1
164.08221	0.9
167.05606	0.7
173.09656	2.0
173.13275	23.5
191.03377	2.4
191.07007	3.2
191.10699	4.9
191.14316	50.8
191.17938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66661	0.8
52.81325	0.9
53.03946	1.6
53.86840	0.9
55.01854	2.2
55.05518	6.6
56.96562	0.9
57.07060	2.0
59.05002	1.7
67.05512	8.3
69.03430	13.2
69.06753	1.1
69.07073	9.9
69.44702	0.9
70.33059	0.9
71.04967	3.9
71.59557	1.8
79.05492	14.0
81.03408	1.9
81.07062	14.0
83.04987	7.3
83.08597	3.4
85.06544	4.0
91.04963	1.5
91.05488	20.0
93.07049	20.8
95.04977	8.2
95.08613	17.0
97.06536	6.8
100.21318	0.9
103.05443	2.5
105.07033	32.5
107.04980	8.4
107.08602	38.0
109.02897	2.3
109.06535	10.1
109.10146	8.6
111.08050	3.9
115.05470	1.4
116.06216	1.1
117.07014	8.5
119.08582	19.2
121.06505	12.6
121.09312	1.5
121.10145	21.6
123.08079	7.6
123.11714	4.3
128.06203	1.4
129.06982	4.3
130.07784	1.7
131.04955	3.1
131.06921	1.9
131.08571	38.1
133.06467	1.6
133.10135	52.3
135.08055	34.3
135.11697	8.6
137.09605	5.0
143.08557	8.7
144.09299	2.8
145.06470	3.5
145.10123	25.7
145.11281	1.3
147.08058	3.5
147.11688	15.3
148.05164	1.2
148.08810	2.5
149.01172	1.5
149.05977	1.7
149.09644	12.3
149.13257	14.2
158.07240	1.5
158.10907	8.6
159.08043	1.9
161.09642	2.2
161.13261	6.1
162.05508	1.7
163.03856	1.5
163.07480	3.0
163.11212	4.5
163.14857	6.9
167.05479	2.3
173.05992	2.1
173.09657	5.5
173.13275	43.6
191.03354	5.3
191.05486	1.7
191.06973	8.1
191.09039	1.6
191.10658	12.5
191.14314	100.0
192.03011	1.2
192.06544	1.6
192.10156	2.5
192.14772	1.7
192.17480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03944	1.2
55.01873	2.0
55.05513	7.4
57.07069	1.5
67.05497	7.6
69.03432	9.6
69.07060	8.4
71.04989	3.3
79.05499	10.1
81.07055	16.6
83.04977	10.0
83.08606	2.5
85.06529	4.0
91.05473	14.8
93.07046	19.7
95.04960	4.0
95.08604	20.7
97.06527	8.8
99.08085	1.3
103.05441	2.0
105.07029	26.3
107.04960	13.6
107.08595	52.0
108.08942	1.0
109.06536	11.7
109.10161	6.5
111.08079	3.8
115.05430	1.1
116.06234	1.2
117.07021	5.8
119.08585	15.1
121.06510	30.0
121.10142	48.0
123.08080	14.7
123.11700	2.2
129.06985	1.7
131.04944	1.2
131.07584	2.0
131.08569	31.5
133.10132	36.7
135.08051	21.3
135.08990	1.7
135.11728	6.0
137.09613	1.2
143.08585	4.2
144.09319	2.1
145.10129	14.2
147.11681	16.7
148.08734	1.2
149.05954	1.4
149.09622	21.6
149.13260	15.1
158.10910	6.6
161.09641	1.0
161.13266	1.6
162.10498	0.9
163.11191	4.7
163.14830	12.8
170.99590	0.9
173.09592	2.3
173.13269	40.4
191.03415	1.4
191.07053	2.3
191.10791	4.5
191.14310	100.0
192.14682	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.7
57.03411	1.9
57.07066	3.1
59.77634	1.2
61.65256	1.2
65.03931	1.6
67.05505	7.5
69.03426	6.2
69.07061	8.6
69.83221	4.2
69.83621	2.5
71.04984	4.3
77.23490	1.5
79.05499	12.1
81.06721	1.0
81.07068	11.7
83.04969	4.7
83.08594	2.7
85.06526	5.1
91.05484	18.8
93.04508	1.1
93.07051	16.1
93.55882	1.3
95.04963	4.1
95.08616	8.8
97.06519	5.2
105.07033	44.7
107.04945	2.0
107.07884	1.7
107.08601	33.1
109.06502	5.3
109.10149	4.9
111.08096	2.7
116.06242	1.8
117.07028	12.0
119.08584	29.6
121.06523	7.8
121.10147	16.8
123.08047	4.8
123.11690	1.3
129.06992	9.0
130.07770	3.1
131.04999	1.6
131.08569	66.9
132.08934	1.5
133.10133	46.2
135.08069	15.8
135.11667	4.1
136.08841	2.9
143.08580	10.6
144.09364	9.8
145.10130	45.4
147.11694	23.6
149.09607	7.8
149.13264	14.6
158.10902	19.9
161.13234	7.9
163.07516	2.0
163.11240	2.7
163.14886	6.8
171.11737	1.5
173.09631	3.5
173.13269	100.0
191.03458	2.0
191.07007	4.5
191.10667	4.3
191.14316	82.8
192.14671	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.19551	1.9
54.94142	2.3
55.01878	2.1
55.05502	7.8
56.96575	1.8
57.03429	2.3
57.07073	3.0
67.05511	10.0
69.03426	5.4
69.07076	18.1
70.87292	4.0
71.04988	4.1
79.05505	14.7
81.07060	18.0
83.04975	8.0
83.08600	5.3
85.06541	3.2
91.05485	27.1
93.07043	25.9
94.06596	1.7
95.04962	9.5
95.08607	12.6
97.06516	7.8
105.07032	75.5
107.04969	4.7
107.08596	54.4
107.38927	1.9
109.06499	10.6
109.10136	10.0
111.08041	2.4
115.05444	2.8
116.06245	3.6
117.07008	16.7
119.08584	37.0
121.06526	9.7
121.10146	21.3
123.08053	8.8
123.11689	2.7
128.98470	1.9
129.07007	7.7
130.07755	4.6
131.08565	91.5
133.10129	88.1
133.10938	1.4
135.04390	2.7
135.08060	23.2
135.11658	7.2
143.08554	10.7
144.09343	7.5
145.06419	2.3
145.10127	43.0
147.11691	20.0
149.09647	11.4
149.13268	27.1
158.10947	19.9
161.13272	25.4
161.74551	2.2
163.11153	3.2
163.14859	15.4
173.13261	82.8
191.06993	3.2
191.10616	6.6
191.14310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.85576	1.8
55.05496	7.5
57.07072	2.9
61.92682	2.0
65.03928	2.3
66.88301	2.0
67.05503	9.9
69.03429	13.5
69.07068	10.8
70.30014	2.2
71.01414	2.2
71.01743	2.9
71.04987	5.1
79.05511	10.0
79.32152	2.0
79.49348	2.3
80.86370	2.3
81.07067	12.7
83.04989	3.7
83.08611	4.5
85.06521	5.5
87.62315	1.9
91.05483	23.5
93.07043	18.9
95.04959	12.1
95.08606	14.6
97.06528	6.5
97.79105	1.9
103.05441	2.7
105.07027	39.3
107.04945	4.9
107.08603	44.2
109.06539	10.4
109.10148	10.2
111.08092	3.8
114.05518	3.7
115.05450	2.5
116.06203	2.5
117.06998	11.1
119.08591	21.1
121.06509	12.5
121.10144	33.4
123.08072	7.8
123.11726	2.5
129.06999	5.6
130.07715	2.7
131.08568	73.7
133.10130	48.3
135.08061	21.0
135.11690	8.0
137.09535	2.0
143.08545	8.2
144.09363	4.7
145.10127	36.8
146.06012	3.7
147.08017	3.0
147.11664	26.0
149.09628	36.8
149.13271	19.2
150.10210	1.8
158.10907	16.9
159.07947	1.9
161.13287	4.4
163.11121	3.4
163.14841	9.9
171.11626	2.4
173.09743	4.5
173.13266	79.4
191.07001	5.9
191.10649	7.6
191.14307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85462	1.2
55.05502	6.8
56.96547	1.6
57.07064	4.0
59.04999	1.8
67.05489	5.2
69.03431	11.3
69.07069	8.2
70.29697	5.4
71.04973	3.3
71.19823	1.1
78.81916	1.1
79.05492	6.7
81.07053	10.4
83.04970	9.1
85.06550	8.4
87.43697	1.0
91.05473	14.1
93.07040	16.4
95.04946	5.4
95.08613	10.2
97.06537	8.2
103.05483	2.0
105.07030	42.6
107.04960	1.5
107.08595	33.9
109.06506	6.7
109.10146	4.0
111.08051	5.3
115.05473	3.2
116.06254	2.7
117.07005	6.6
119.08575	22.2
121.06498	8.0
121.10143	19.6
123.08058	5.3
123.11694	1.9
129.06985	5.0
130.07819	2.6
131.04912	1.9
131.08568	41.7
133.10126	39.1
135.08051	17.3
135.11658	3.4
136.08809	2.3
143.08580	7.6
144.09325	3.6
145.06396	1.6
145.10120	21.9
147.11696	18.3
149.09633	9.1
149.13260	16.5
158.10901	9.8
161.09637	3.5
161.13329	6.1
163.07500	1.8
163.11201	2.2
163.14862	6.5
173.09721	1.9
173.13268	56.0
176.12045	2.4
191.03392	1.7
191.07045	3.1
191.10677	5.3
191.14307	100.0
192.06329	1.7
192.10193	1.1
192.14644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70053	0.4
53.03892	0.6
55.01811	0.6
55.05448	0.7
56.96484	2.7
57.03376	1.0
57.07022	0.6
59.06073	0.6
62.95574	0.4
65.03897	0.7
66.27943	0.4
67.05447	0.7
69.03349	2.4
69.06990	1.3
70.06518	0.7
70.14533	1.0
70.14928	1.0
71.04910	1.2
72.93783	2.4
73.02855	1.1
79.05411	1.4
80.04937	0.5
81.06975	1.3
83.04921	1.2
83.06049	0.5
84.04452	0.5
84.08062	0.8
85.02829	1.9
85.03970	0.7
85.06447	0.7
90.90244	0.5
90.94843	2.5
91.05485	3.4
93.07037	2.0
94.06503	0.4
95.04919	0.7
95.08529	1.2
97.02827	1.9
98.01266	0.4
98.97510	1.9
102.05436	0.5
103.05398	0.5
104.01227	0.8
105.07017	3.3
106.06572	2.1
107.04876	1.5
107.08598	3.1
108.95780	0.8
109.06451	1.3
109.07617	1.1
109.10151	2.0
110.01254	0.5
110.07127	0.6
111.09187	0.5
112.07604	0.4
113.96397	0.4
114.56131	0.4
116.98602	2.0
117.05717	0.8
117.06980	1.1
118.06525	3.5
119.01777	1.2
119.08511	1.5
121.06461	0.8
121.10121	2.0
122.05963	0.5
123.08000	1.5
123.11597	0.5
127.03822	0.5
128.98572	1.2
130.07640	0.5
131.00162	0.5
131.08559	3.3
131.97394	1.3
131.99660	0.5
132.95784	1.9
132.96698	0.4
133.10114	4.3
134.06018	12.6
134.07062	0.4
134.99634	1.6
135.04416	0.5
135.08035	2.3
135.11615	0.8
137.09572	0.6
145.06464	0.6
145.07536	0.6
145.10085	2.4
146.06003	18.9
146.99620	1.8
147.07887	0.4
147.11656	1.5
148.03828	0.5
149.01192	1.8
149.09608	1.6
149.13231	1.3
149.96085	2.7
149.98553	0.6
150.00710	0.7
150.96899	5.5
151.10956	0.4
155.06029	1.3
156.06630	0.7
158.10944	0.7
158.99681	0.7
162.05499	100.0
162.09117	1.7
163.03862	0.6
163.05968	2.1
163.07503	0.7
163.14771	0.7
167.02328	0.8
167.05533	0.4
167.97162	4.2
172.06314	1.1
172.97726	0.7
173.02705	0.7
173.07112	15.1
173.09479	1.0
173.13261	3.7
173.98428	0.6
174.05507	21.8
177.00769	0.6
189.00772	0.8
190.98824	1.1
191.03424	2.1
191.05299	0.6
191.08212	14.2
191.10640	1.3
191.14310	8.8
191.17860	0.5
191.97043	0.7
192.06697	0.5
192.10284	0.8
209.98181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.63340	0.3
56.96564	0.3
64.44124	0.3
70.06567	0.7
70.06981	1.0
73.02920	0.4
89.03909	0.9
98.97535	0.3
116.04967	2.1
134.99614	0.3
144.04485	0.4
162.05505	100.0
163.05846	2.0
175.06171	0.4
182.45555	0.3
190.04993	53.7
190.08591	1.2
191.05269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99077	0.4
55.05497	0.6
56.96569	0.4
57.07074	17.5
59.99106	3.0
60.08309	0.3
62.99056	0.4
67.05484	0.4
69.65145	2.2
78.00151	27.1
79.05491	0.4
81.07040	0.4
82.07607	0.3
83.05015	0.3
84.08132	0.6
86.09707	7.4
86.10234	0.4
88.02206	0.5
91.05467	0.9
91.60054	0.3
92.01692	0.8
93.07055	0.3
105.07011	1.1
107.08585	0.7
111.04472	0.3
116.05328	0.6
119.08580	0.6
121.10132	0.6
130.05142	0.3
131.08585	0.6
133.05144	0.4
133.10117	0.9
134.06349	33.1
135.08052	0.4
145.10092	0.7
148.06003	0.3
148.07924	2.9
149.02322	1.5
149.09663	0.3
158.84811	0.3
160.12067	0.4
162.05547	0.3
172.11952	0.4
173.13266	1.1
184.56790	0.3
187.91492	0.3
190.12601	100.0
191.03375	0.5
191.07007	0.4
191.12880	1.1
191.14368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64034	0.2
55.05505	0.6
56.05030	1.6
57.03437	0.4
57.04549	0.5
58.06599	0.4
60.08163	28.9
60.94497	0.3
64.26006	0.3
67.05505	2.4
69.07102	0.4
70.06591	4.5
70.94776	0.3
70.95113	0.6
72.08153	5.4
73.02915	0.5
73.49585	0.3
74.02436	0.7
74.07203	1.7
82.06554	0.5
82.53648	0.3
84.08142	100.0
85.06544	1.7
85.08488	1.1
86.09694	1.7
94.06587	0.3
97.04243	0.3
102.09174	0.7
112.07587	0.4
115.03931	0.5
115.08714	0.3
116.07076	1.4
118.08643	0.6
119.01908	0.4
121.06525	0.3
122.09676	0.6
124.11234	0.3
126.09134	0.8
130.08638	48.7
130.64702	0.3
131.09000	0.5
133.09813	0.4
142.08640	0.4
143.08601	0.3
144.11313	1.1
144.13857	3.0
172.09639	0.4
178.05678	0.4
189.13326	2.1
189.15981	29.3
190.11977	0.5
190.14355	1.1
190.16093	0.3
192.77596	0.3
199.70244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05516	7.0
57.03422	1.9
59.05003	1.2
67.05492	2.6
69.03432	7.1
69.07071	5.5
70.25597	3.7
79.05484	4.0
81.07059	5.3
83.04990	2.0
85.02890	2.0
91.05483	14.3
92.84367	1.0
93.07025	4.1
95.04965	4.4
97.06505	1.4
103.05457	1.7
105.07032	43.5
106.31261	1.1
107.04961	1.6
107.08587	5.7
109.06519	2.3
115.05457	2.0
117.07010	7.4
119.04954	0.9
119.08578	61.0
121.10118	1.6
128.06224	3.7
129.06990	12.1
130.07782	3.9
130.22049	1.0
131.08568	25.1
132.09305	1.8
133.06493	4.9
133.10130	33.4
133.11092	2.3
138.84442	1.1
141.06981	2.4
142.07761	2.8
143.08585	8.7
144.09337	26.6
145.06462	3.9
145.10101	7.8
146.10893	1.5
147.04401	2.8
147.08022	6.5
147.11681	7.4
156.09364	11.4
157.10225	1.7
159.08081	3.1
159.11696	72.1
160.08864	2.5
160.12036	2.2
161.06013	1.6
161.09605	3.2
161.11977	1.7
161.13251	20.0
164.96408	1.1
169.91780	1.0
171.11667	8.8
171.17244	1.2
174.06783	1.4
174.10426	2.6
176.12334	0.9
189.05402	1.5
189.09200	8.1
189.12746	100.0
190.13068	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
54.05430	0.7
55.01864	1.5
55.05513	5.9
56.96540	1.3
57.03426	3.6
57.03671	0.7
59.04982	1.5
62.40035	0.7
65.03957	1.0
67.05489	2.6
69.03427	6.9
69.07069	5.7
69.41441	7.3
72.08138	0.7
78.00390	0.7
79.05498	5.3
80.28842	0.7
81.03409	1.0
81.07053	4.8
83.04970	2.3
84.04482	1.2
84.08156	1.6
84.15594	0.8
85.02884	2.5
85.04810	1.3
87.04483	0.8
91.05479	14.4
93.07043	4.5
95.04967	3.2
95.08553	1.5
98.20746	1.6
103.05458	2.0
105.07032	44.1
107.04935	2.6
107.08603	5.4
109.06522	2.6
109.07674	1.0
114.86208	0.7
115.05450	3.0
117.07027	9.7
119.04940	2.7
119.08583	63.3
120.08913	1.5
121.06488	2.8
121.10037	1.1
123.81396	0.8
124.97565	1.1
128.06215	6.4
129.07011	12.8
130.07791	3.6
131.04890	1.6
131.08578	19.3
132.05702	0.9
132.09363	1.5
132.19411	0.8
133.06520	9.6
133.09119	1.4
133.10129	28.9
135.08063	1.3
141.06970	3.6
142.07768	2.7
142.69930	0.9
143.08574	12.4
144.09343	20.7
145.06454	5.4
145.10138	11.2
146.07231	2.4
146.10855	1.1
147.04414	3.9
147.08038	9.1
147.11674	10.0
149.09569	1.0
156.09366	13.5
157.10060	1.6
159.08067	6.0
159.11696	66.6
160.05214	2.0
160.08815	2.8
160.12029	2.1
161.05986	2.8
161.09607	7.1
161.11969	1.3
161.13257	17.8
171.08051	2.2
171.11703	10.8
174.06844	1.4
174.10461	4.8
189.05418	1.9
189.09142	24.7
189.12744	100.0
190.13054	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1598
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
55.01867	2.3
55.05514	0.5
56.05037	1.4
57.03437	3.0
57.04558	0.5
60.08165	26.3
67.05507	2.8
69.03439	0.7
69.73730	0.8
69.74137	2.0
70.06602	3.1
71.01361	1.2
71.04991	0.6
72.08158	2.6
73.02917	1.1
74.02462	0.5
74.07191	1.2
81.48672	0.4
82.06538	0.4
83.01340	0.8
84.04498	1.0
84.08145	100.0
85.02903	0.7
85.06561	1.9
85.08486	1.2
86.09707	1.6
87.04482	2.5
89.02392	0.6
90.02848	0.4
91.05476	0.5
95.69888	0.3
98.30694	0.3
101.02397	4.2
102.09190	0.4
105.07030	0.9
111.00780	0.6
114.05537	0.6
115.02579	0.5
115.03931	3.9
116.07083	1.3
118.08659	0.6
119.08599	0.9
126.09163	0.9
129.01845	0.7
130.08641	45.3
143.03375	0.7
143.08539	0.5
143.11778	0.5
144.11296	0.6
144.13823	3.0
147.08052	0.5
157.01360	3.3
158.09322	0.4
161.02914	0.6
161.06085	0.5
162.05502	1.2
171.11661	0.9
175.02434	0.5
189.05396	0.5
189.09229	0.8
189.12598	1.4
189.13222	1.5
189.15987	27.4
190.04947	0.7
190.14351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05526	3.2
57.03437	1.3
65.25237	0.6
67.05494	1.4
69.03441	6.4
69.07050	2.1
70.99232	1.5
73.02953	0.6
76.31513	0.7
79.05481	2.9
81.07055	3.2
83.04974	1.2
84.04512	1.3
84.08140	1.0
84.76881	0.8
85.02905	1.5
85.04820	1.7
86.09692	1.9
91.05494	12.6
93.07033	2.5
95.04989	1.9
95.08591	1.6
97.06516	1.1
103.05480	1.0
105.07036	20.2
107.04970	6.1
107.08595	2.1
109.06556	1.2
111.04443	1.2
115.05449	3.0
117.07017	5.4
118.04175	1.5
118.04996	0.6
119.05004	4.0
119.05733	0.9
119.08581	24.0
121.06458	1.4
121.10123	1.4
128.06210	4.8
129.07031	4.8
130.07780	4.2
131.04933	1.9
131.08582	16.1
133.06493	8.5
133.10132	8.6
135.04413	8.1
141.06975	5.7
142.07771	1.3
143.08571	12.1
144.09399	1.6
145.06450	2.1
145.10132	16.8
146.07205	1.1
146.10869	0.7
147.04414	30.0
147.08058	8.7
147.11693	17.4
148.04768	0.8
155.08530	1.7
156.09351	40.0
157.09682	0.8
159.08086	5.7
159.11702	12.9
160.05203	5.3
160.08792	1.9
161.05981	6.7
161.09641	4.6
161.13258	9.1
162.05460	0.9
171.08029	1.6
171.11699	54.6
172.12076	1.6
174.06801	1.3
174.10405	8.1
189.05453	1.6
189.09129	25.5
189.12753	100.0
189.16345	2.8
190.08672	1.0
190.13106	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	189.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27265	0.5
55.01875	10.5
55.05513	1.9
56.05037	2.0
57.03437	15.2
59.04999	2.0
60.08165	26.1
60.15947	0.5
61.02928	0.9
67.05510	3.0
67.27290	0.5
69.03437	1.1
69.42124	4.7
70.06606	3.5
71.01356	7.1
71.04996	2.0
72.07770	0.4
72.08154	9.1
73.02921	6.1
74.07202	1.3
75.04489	0.6
81.07073	0.8
82.06593	0.8
83.01334	2.7
83.04981	1.1
84.04491	1.3
84.08145	100.0
85.02913	2.3
85.04830	1.0
85.06562	1.2
86.09739	0.6
87.04470	12.0
89.02402	3.3
91.05499	0.9
95.01319	1.4
101.02386	22.2
102.09152	0.6
103.03954	2.4
105.07049	1.5
111.00826	1.9
111.04473	0.6
113.02401	0.7
114.05537	0.9
115.03934	24.1
116.07078	1.0
117.01808	0.7
118.08666	0.7
119.01959	1.6
119.08612	1.1
126.09151	2.4
127.00223	0.7
127.03955	1.0
129.01839	7.4
130.08647	42.2
131.03436	0.6
131.08548	0.6
133.10120	1.0
139.00259	1.3
141.01848	0.6
143.03435	2.6
143.08672	0.6
143.11839	0.5
144.13831	3.0
145.10146	0.7
147.08015	0.6
147.11646	1.0
156.09360	1.2
157.01332	19.3
159.02864	1.3
159.11653	0.6
161.06070	0.9
161.09686	0.7
161.13213	1.0
171.02902	1.0
171.11711	2.1
175.02390	3.2
189.03999	0.8
189.05423	1.2
189.09145	1.8
189.12570	4.4
189.15991	23.7
190.14554	0.6
203.61604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03941	1.5
55.05505	1.7
57.07076	4.0
64.91863	0.6
65.03956	1.1
67.05504	8.6
69.03417	2.9
69.07066	2.6
71.60242	0.7
73.68019	0.5
79.05497	5.2
81.03430	3.6
81.07050	6.3
83.08612	1.7
84.04508	4.0
85.02895	2.1
88.02215	5.1
91.05479	14.6
91.06014	1.1
93.07034	4.4
95.04954	1.8
95.08606	2.9
97.02880	0.7
103.05466	0.6
105.07029	20.6
107.08601	3.4
109.02834	0.9
109.10155	1.2
115.05412	3.2
116.06248	1.3
117.06216	1.2
117.07020	18.4
119.08583	17.8
119.09358	0.6
121.10132	1.7
127.03931	1.5
128.06197	2.0
129.06995	7.2
130.07796	4.7
131.08565	51.1
132.08916	1.3
133.10129	3.6
141.06996	2.3
142.07768	3.4
142.16245	0.6
143.08560	5.9
144.05641	0.9
144.09344	6.0
145.06450	2.2
145.10121	86.4
145.31642	0.7
146.10489	2.1
154.07745	3.1
157.10153	5.5
158.07224	1.2
158.10867	2.4
159.08127	3.0
159.11682	27.9
160.11961	0.8
169.05035	0.8
169.10138	4.3
172.08844	2.3
172.12448	2.9
173.00847	0.8
187.07645	1.5
187.11227	16.3
187.14816	100.0
188.09204	1.4
188.15178	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.23052	0.5
67.38981	0.5
71.34329	1.1
72.07076	0.5
84.04559	0.6
91.05467	3.9
108.19691	0.5
115.05441	4.9
117.05781	0.9
117.07014	4.3
118.06544	61.8
119.06887	0.6
127.42002	0.5
142.06508	6.2
143.07307	10.7
144.04442	1.0
144.08093	23.9
144.09238	1.3
145.06529	0.7
145.08379	0.7
146.06010	100.0
147.06346	1.4
160.07521	1.4
164.14742	0.6
170.06006	8.6
188.07068	36.9
189.07434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30046	0.4
54.30608	0.4
61.66499	0.4
67.87975	0.4
71.47518	0.9
71.74894	0.4
84.04510	0.8
91.05482	2.9
103.05477	0.6
109.45362	0.5
113.12517	0.4
115.05446	4.7
117.05753	1.1
117.07032	3.8
118.06549	65.4
119.06834	0.5
132.08083	0.5
142.06537	5.5
143.07294	10.5
144.04459	0.6
144.08095	22.1
145.06488	0.4
146.06015	100.0
147.06357	1.6
155.06125	0.5
160.07574	0.7
170.06023	8.7
188.07079	27.9
189.07452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.01873	4.6
55.05511	5.4
56.05030	8.1
56.96565	20.7
57.03427	8.7
58.06596	5.9
58.72226	1.9
59.05000	2.3
59.06121	4.1
60.04520	13.0
60.08172	10.0
61.02929	16.2
62.98495	1.7
65.51189	1.9
67.05508	11.4
68.05017	3.7
68.99786	5.2
69.03433	9.4
69.07072	6.2
69.95291	3.3
69.95708	5.7
70.02952	4.0
70.06594	11.7
71.01360	3.2
71.04990	5.1
72.04517	5.8
72.08170	10.8
73.02909	5.0
74.06078	2.7
77.00893	3.5
79.05502	8.6
80.05025	3.0
81.03423	5.5
81.07043	4.5
82.03748	2.5
82.06590	8.0
83.04987	10.4
84.04510	100.0
84.08148	57.2
84.08531	1.1
84.96021	4.4
84.99263	2.6
85.02905	23.2
85.06536	3.1
86.06073	5.2
86.09707	18.8
87.04484	10.2
87.05589	3.0
88.04025	3.8
90.02438	2.0
91.05499	4.2
95.01879	1.9
95.04957	12.3
96.04509	4.2
96.08124	3.3
97.02882	11.0
97.06519	2.8
98.06061	4.9
98.81237	1.7
98.97578	5.3
98.98458	2.5
99.04432	4.7
100.03998	2.9
100.07598	13.2
101.00870	4.7
101.02355	3.2
102.05536	1.9
103.02486	2.0
105.02888	2.1
105.92255	2.1
106.06541	4.9
107.04960	5.4
109.01363	2.4
109.02882	3.7
109.06548	4.5
110.06065	6.8
111.04397	2.6
112.07674	2.1
112.11249	2.5
114.05544	8.1
114.09180	6.7
115.01423	1.9
115.03991	3.2
116.00252	2.0
116.07085	4.1
116.98634	4.9
117.01860	8.3
119.01918	16.3
119.02644	2.9
119.04920	3.4
120.02077	1.9
121.01678	3.4
123.04430	8.5
124.05234	10.3
124.07600	8.2
125.02662	11.1
125.06019	5.2
126.00773	4.6
126.05518	6.1
127.01532	2.0
128.07101	12.5
128.10765	2.0
129.10262	3.3
130.08650	24.8
131.01913	5.0
133.01666	2.1
133.03477	4.0
134.03000	4.9
134.04825	1.8
134.05972	2.3
134.99640	4.2
135.04379	2.4
136.05191	4.9
137.00853	2.9
137.03056	5.2
137.05978	11.4
141.05527	2.7
141.11095	3.3
142.05002	8.9
142.08638	7.1
143.01921	4.3
143.08594	1.9
144.13808	3.0
145.03494	2.5
145.06065	2.8
146.01320	6.7
146.08180	4.3
147.11433	2.0
150.96869	4.1
151.04610	2.4
152.07100	6.4
153.05487	13.6
160.07533	1.9
160.09711	4.0
161.02979	9.8
167.05522	9.7
167.55649	2.7
170.04492	2.5
170.08107	17.6
170.11711	2.0
171.05125	4.4
171.14946	6.4
175.01039	3.3
175.02428	1.8
175.11867	2.1
176.06079	5.7
177.00734	2.2
177.06046	2.2
182.98218	1.9
185.06578	1.9
187.00827	2.5
188.07347	3.4
188.09152	35.3
188.12839	3.1
188.17615	8.2
189.02434	2.2
189.04073	2.6
189.09462	2.4
189.15987	8.3
191.04004	2.3
193.01988	2.5
205.51340	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0969
Annotation	Ginkgotoxin
Peak:m/z	Relative Intensity
53.03945	3.5
55.05520	3.0
56.96558	3.2
60.95848	4.3
65.60107	2.0
67.05477	4.4
68.12850	1.9
69.07059	6.0
69.89484	2.0
70.20937	1.7
71.05003	3.1
77.44993	2.1
79.05482	6.3
80.05038	2.1
81.05785	3.2
81.07040	2.8
82.06562	5.6
83.04977	1.9
84.04489	2.4
86.09697	3.0
91.05473	7.5
93.07044	25.0
94.06572	15.7
95.04944	5.2
95.07355	27.2
95.08585	3.5
96.08131	45.4
97.06521	6.1
98.16837	1.9
101.95039	28.9
102.96873	4.8
103.05446	3.5
105.03390	3.0
107.62264	1.8
108.08121	25.2
109.08894	3.3
110.06055	2.4
110.09682	85.5
111.04485	2.2
111.07945	2.5
119.01925	5.6
119.96082	17.8
119.98116	1.9
120.08115	57.1
120.97911	9.3
122.05972	2.4
123.06792	4.0
124.07670	3.2
125.02354	2.8
135.06827	3.3
136.07568	3.7
137.02980	2.8
137.97110	25.9
138.09142	85.6
138.10211	4.3
138.98993	13.3
142.05029	2.7
143.04549	3.4
143.08612	2.5
148.07561	13.2
152.07027	2.7
155.98167	18.4
156.10275	2.0
156.99963	3.9
157.06516	2.8
160.98691	8.3
162.00584	4.3
166.08647	61.2
178.99782	5.5
184.07410	5.9
184.09694	100.0
185.05881	3.0
185.09772	5.7
185.13260	3.5
189.25032	2.1
204.94586	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	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52337	17.3
57.61311	18.3
69.74482	100.0
73.03393	18.4
111.60618	18.4
119.01971	42.5
120.02026	91.3
120.39681	17.5
121.01658	22.2
123.56341	18.8
135.00101	17.2
138.03090	30.6
162.03021	25.7
195.16849	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	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52337	17.3
57.61311	18.3
69.74482	100.0
73.03393	18.4
111.60618	18.4
119.01971	42.5
120.02026	91.3
120.39681	17.5
121.01658	22.2
123.56341	18.8
135.00101	17.2
138.03090	30.6
162.03021	25.7
195.16849	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	187.0601
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
53.03945	8.3
55.01867	2.5
55.05503	1.0
56.96567	1.3
57.03434	1.7
61.02928	1.5
67.05499	1.4
69.03428	91.3
69.07044	0.6
70.99159	1.3
70.99495	1.2
71.01341	0.6
71.04991	8.2
79.05480	0.9
81.03415	100.0
81.07050	3.0
82.03747	1.0
83.01341	1.4
83.08604	1.8
84.04527	4.2
85.02905	13.0
88.02213	3.3
88.45354	0.6
91.05475	1.1
95.08612	1.5
97.02893	10.9
99.04455	29.1
100.11253	2.2
104.29176	0.6
105.07011	2.1
109.02880	27.8
109.10160	1.3
115.03941	5.7
115.05372	0.6
117.06986	2.0
122.38064	0.6
127.03914	27.7
131.04948	0.9
131.08516	2.0
137.98393	0.8
140.48599	0.7
143.05406	1.0
145.04976	5.0
145.10121	5.3
149.49074	0.9
159.06915	1.4
159.08051	1.5
159.11708	3.5
172.08772	0.9
172.12459	0.9
172.29257	0.6
173.00752	0.8
187.03842	0.8
187.04247	0.9
187.05975	8.4
187.07533	4.4
187.11166	5.9
187.12695	1.4
187.14677	6.1
188.09224	0.9
195.10399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05017	1.2
60.07885	1.0
60.08164	16.2
60.95830	1.2
71.07375	8.1
78.28965	0.6
83.48519	0.7
86.09705	78.8
87.10041	0.9
98.20700	1.3
98.98474	10.7
101.95029	6.6
102.96877	1.0
104.10709	3.5
119.96074	4.0
120.97874	1.2
125.00000	64.4
129.06958	0.8
132.17795	0.6
137.97087	3.7
138.98947	1.7
143.01083	1.0
155.98151	1.2
160.98714	1.7
178.99734	1.3
184.07338	100.0
185.07780	1.0
188.32669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
53.87753	0.5
56.05014	0.8
56.96558	0.9
59.07396	0.7
60.07880	1.1
60.08163	14.5
60.95838	1.0
71.07373	9.7
71.95261	0.9
73.32712	0.7
82.43103	0.6
86.09705	83.4
87.10010	1.6
95.04932	0.8
96.05313	0.7
98.98463	15.3
101.95031	11.3
102.96856	1.2
104.10764	4.9
105.03411	0.8
118.48621	0.7
119.01902	0.9
119.96069	6.2
120.97925	1.5
125.00006	67.4
137.29849	0.7
137.97081	8.7
137.99303	0.8
138.09169	0.9
138.98923	3.3
143.01045	1.9
143.03531	1.2
155.98137	7.5
157.00092	0.8
160.98738	3.5
161.04707	0.8
162.00536	0.8
162.66478	0.7
166.02621	1.0
169.10011	0.7
178.99727	2.2
184.07346	100.0
185.07692	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0969
Annotation	DL-Adrenaline
Peak:m/z	Relative Intensity
53.03933	2.6
55.50496	1.4
56.96554	2.7
57.15966	1.5
60.95834	2.9
67.05502	3.3
69.07050	3.7
72.21674	1.4
79.02188	1.6
79.05479	5.8
80.05013	2.0
81.03406	1.6
81.05787	2.1
81.07038	2.5
82.06573	4.3
86.09701	3.9
91.05474	7.0
93.07039	18.6
94.06569	15.2
95.04955	5.8
95.07349	25.2
95.08607	2.3
95.50648	1.4
96.04418	1.5
96.05286	3.2
96.08136	44.3
97.06537	3.7
98.98463	3.2
100.95817	1.6
101.95026	16.2
102.96883	3.1
103.05488	2.6
104.10727	1.3
108.08115	21.1
109.08887	4.7
110.05977	1.9
110.09681	78.5
119.01891	5.2
119.96064	7.3
120.08103	44.3
120.97914	2.7
121.06469	2.5
121.10076	1.9
123.06865	2.8
124.07554	1.6
125.00009	4.8
127.66418	1.6
135.06735	2.3
136.07588	4.5
137.97122	14.1
138.09134	79.9
138.98915	8.9
139.09441	1.5
141.05011	1.5
148.07574	9.7
154.00822	1.4
155.98143	7.7
157.00043	2.1
160.98723	3.7
166.08640	55.2
178.99799	2.2
184.07520	4.5
184.09695	100.0
185.09756	2.1
185.13219	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	184.0968
Annotation	DL-Adrenaline
Peak:m/z	Relative Intensity
51.57082	1.0
51.62543	1.3
53.03941	1.4
55.05507	1.7
56.96559	2.5
58.06578	1.1
59.25595	1.1
60.95831	3.2
64.65031	1.2
67.05492	2.9
68.05003	1.3
69.07074	1.6
69.80719	8.0
71.04968	1.0
77.52402	1.0
77.83086	1.2
79.05475	5.1
80.04996	2.0
81.05774	1.3
81.07044	1.4
82.06587	5.9
82.46610	1.2
86.09694	2.0
91.05479	5.9
92.82230	1.2
93.07050	18.5
94.06575	15.8
95.04964	3.9
95.07354	25.9
95.08614	3.4
95.94324	1.1
96.08131	45.2
97.06519	3.5
98.21471	1.9
101.95021	14.5
102.96853	2.6
103.05452	3.0
108.08120	23.9
109.08881	4.7
110.06017	2.5
110.09679	85.3
112.19068	1.1
113.05994	1.1
119.01956	2.1
119.96059	9.4
120.08105	55.2
120.97869	2.4
121.06496	2.5
123.06813	3.8
124.04736	1.9
124.07510	1.3
129.06990	1.4
135.06755	1.2
136.07570	6.8
137.02950	2.5
137.97083	16.0
137.99281	1.2
138.05453	1.9
138.09138	79.9
138.98940	8.6
139.09471	1.1
143.04518	1.6
143.08534	1.4
148.07564	13.6
155.98177	8.1
156.99960	2.7
160.98689	5.5
162.00500	1.6
166.08636	59.8
167.08954	2.7
178.99773	3.8
184.09685	100.0
184.20563	2.1
185.09789	3.9
185.13190	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94541	0.3
52.32947	0.3
53.03946	0.4
56.05037	0.5
56.96579	0.5
57.03426	0.3
69.03432	0.8
70.06593	1.2
71.33435	0.8
82.06561	0.9
82.99860	0.7
84.04522	0.5
85.02921	0.9
86.03560	0.9
86.09705	1.0
95.04986	0.6
95.79810	0.4
97.02890	0.5
100.02525	0.9
101.00879	11.4
102.02267	0.4
102.52576	0.4
106.03726	0.4
107.04949	1.3
110.06055	0.6
115.02453	0.5
116.33743	0.3
118.03526	0.9
119.01924	100.0
120.02007	4.4
121.01650	0.6
123.04462	0.6
124.02453	1.2
124.03961	0.6
125.00014	0.9
130.06392	0.3
131.01947	0.6
131.53296	0.6
133.01653	1.4
133.03505	1.0
134.06015	0.5
135.04391	0.9
137.02962	48.4
138.03075	1.9
138.05513	3.2
140.07068	0.8
142.03503	23.7
143.01909	1.2
143.03693	3.0
145.03436	0.6
148.03932	11.4
148.05112	0.8
150.01778	0.5
151.02734	0.8
152.07089	2.7
154.02025	0.3
155.20226	0.4
156.03174	0.7
157.03462	0.4
158.06590	0.5
160.03352	0.8
160.04576	10.2
161.02962	10.5
161.04678	2.7
162.04320	0.6
165.05127	0.9
166.05003	20.4
166.08632	0.7
167.03374	0.5
179.02335	1.0
179.04007	17.3
179.05551	1.1
179.85173	0.4
180.04138	0.4
184.03146	0.4
184.04587	1.4
184.06049	3.6
184.07423	1.5
184.09607	0.8
184.10983	0.6
185.10629	0.4
197.03331	0.4
202.03885	0.5
202.05598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.63130	0.6
55.05515	5.2
56.96552	0.9
57.03414	0.9
57.07073	2.1
58.02962	21.1
67.05176	0.9
67.05508	12.5
69.07071	47.1
70.06580	2.2
70.07368	0.8
70.74626	1.3
70.75000	1.3
73.09029	0.7
74.06081	0.9
79.05487	3.6
81.07062	14.6
83.04969	1.4
83.08620	4.4
84.08142	7.4
91.05476	2.9
93.07056	7.7
95.04943	1.8
95.08620	5.4
97.06516	2.8
97.97215	0.6
98.06052	2.5
98.09674	1.9
98.97588	5.0
99.97906	2.0
100.07621	5.9
105.07035	10.2
107.08593	13.4
109.06513	2.0
109.10161	33.8
110.10497	0.8
112.07599	2.0
114.09177	12.8
116.98608	4.7
117.98957	2.2
119.08533	1.0
121.10114	1.0
123.11717	6.1
126.09158	12.7
126.12775	1.3
133.10133	25.1
134.10439	0.8
134.99628	3.3
135.11705	14.2
135.99979	1.6
137.13269	0.9
138.12787	13.5
140.10760	0.8
147.11684	3.6
151.11200	11.0
153.12743	11.2
164.14383	2.1
165.12741	1.8
182.15413	100.0
183.15747	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	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.1
55.01876	14.0
55.05512	4.4
57.03440	31.4
57.07069	4.4
60.08159	7.2
61.02922	20.9
65.03926	4.9
67.05508	16.5
69.03431	45.1
69.07043	3.0
71.01364	5.8
71.04988	6.8
73.02915	50.3
79.05515	4.8
81.03432	18.7
81.07054	10.8
83.04997	4.7
85.02906	50.2
86.09702	14.3
88.02663	7.8
91.05463	7.4
91.77970	2.2
93.01867	7.4
93.07025	3.8
94.92557	2.4
95.04967	65.1
95.08607	12.7
96.02399	7.2
97.02894	38.8
97.06582	3.7
98.98460	32.8
99.04455	10.1
100.02618	3.4
101.00860	16.0
102.02412	10.2
103.03210	5.0
103.03887	2.6
105.03380	31.2
105.07021	3.4
106.02687	3.5
107.08540	2.8
108.02399	4.9
109.02859	11.7
109.06508	4.4
109.10157	8.0
111.02921	23.4
111.04465	7.1
111.53045	3.0
113.00866	4.5
114.02366	3.8
115.02450	6.1
115.03166	4.2
115.03879	4.1
117.02923	3.0
117.53008	2.6
118.03626	3.0
119.01921	100.0
119.08597	8.4
120.02039	5.4
120.03437	2.7
120.05254	2.9
121.10138	4.8
123.03006	12.0
123.04430	63.0
123.08095	13.0
123.11736	3.2
124.04770	4.5
124.99978	8.4
125.02362	3.9
127.01544	8.7
127.03915	8.2
129.02962	5.5
131.01894	41.5
132.02008	3.2
132.03438	11.5
132.53464	3.3
133.02719	3.4
133.03575	3.4
135.02898	4.2
137.02953	44.1
137.06015	13.6
137.07904	11.4
137.09616	6.0
138.03436	12.7
138.05457	5.7
140.04680	18.1
141.03889	3.4
142.03520	28.8
143.01906	29.8
144.01997	5.2
144.03458	6.1
145.03444	19.3
146.03625	3.3
147.03990	5.8
149.02965	11.2
149.54257	3.5
153.03908	2.7
155.01927	29.2
155.07051	12.8
156.01993	5.3
157.03471	14.8
160.04533	26.1
161.02954	59.3
162.03032	4.3
163.04475	5.4
165.01781	3.6
165.05452	4.9
165.09154	6.8
166.08649	4.7
167.01904	7.2
167.03278	3.3
169.03461	2.6
169.65117	2.6
171.05238	2.9
173.02954	65.5
174.03128	9.0
175.02724	2.9
175.04512	5.0
178.05643	6.6
179.03957	11.9
183.02878	5.6
183.06470	11.7
183.07938	9.4
183.09981	4.4
183.11620	6.0
183.14992	4.4
184.04597	5.5
184.05963	5.8
184.07448	17.5
185.02989	25.4
186.03178	5.4
187.04523	4.9
191.03972	7.3
196.04594	5.3
197.02963	6.7
199.04575	3.0
203.03987	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	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03938	1.5
54.71907	0.6
55.01860	3.0
57.03435	2.2
57.23573	0.6
57.26780	0.6
61.02927	1.1
66.74822	0.7
67.05501	2.1
67.95152	0.7
68.05024	0.7
68.61103	0.7
69.03428	3.7
69.89545	4.0
73.02911	2.4
76.18575	0.7
79.05498	3.7
80.05048	1.0
81.03406	2.7
81.07064	1.2
83.04966	0.7
85.02900	3.5
88.03960	0.9
88.52872	0.7
91.04903	1.4
91.05480	29.2
94.06564	5.0
95.04971	16.9
97.02896	3.8
98.06080	0.9
98.98481	1.0
100.02496	1.1
103.05453	1.4
105.03337	1.4
105.42680	0.7
107.04934	2.6
108.04475	1.3
108.08108	1.9
109.02920	1.0
109.06506	1.9
111.02937	1.4
111.04457	1.2
118.03574	1.3
118.06567	2.1
119.01943	3.8
119.04948	32.3
119.08498	0.6
120.03501	0.6
121.06528	0.7
122.06006	3.0
123.04430	50.5
125.05988	3.2
127.03873	0.9
131.01894	2.6
132.03447	1.3
132.04449	2.0
133.03471	2.4
135.04417	0.9
136.07579	100.0
137.05991	2.4
137.07870	1.0
138.05504	0.9
142.03485	1.7
143.01939	1.3
143.44693	0.7
144.99847	1.0
145.03467	0.9
146.05981	0.8
147.03229	1.3
147.04382	16.5
149.02986	0.9
150.05516	1.0
152.07100	1.3
153.05463	3.3
154.08635	1.2
155.01825	1.1
159.05029	1.7
160.04544	0.9
161.02953	2.5
161.05634	3.9
164.03291	1.2
164.05759	1.4
164.07022	6.1
165.05475	37.9
170.06049	2.5
170.41759	0.9
173.03004	3.1
177.02585	1.0
182.04413	1.5
182.05655	3.7
182.08087	10.5
182.10402	1.0
184.04396	0.8
185.02985	1.7
195.07161	1.3
203.03963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
52.82995	0.4
56.05026	0.5
56.96564	1.6
68.05045	0.8
69.03441	0.5
69.07064	0.7
69.92741	2.4
70.06583	0.8
71.06127	0.6
73.50638	0.5
74.02438	1.8
79.15326	0.4
80.05023	0.5
81.07054	1.0
83.06100	0.7
83.26424	0.4
85.02910	0.8
88.62236	0.5
89.90050	0.4
91.05480	25.1
93.05796	0.5
94.06581	0.7
95.04978	5.3
95.06062	0.6
98.97579	2.8
98.98461	0.5
99.05584	0.5
99.88865	0.4
99.97908	1.1
103.05459	1.1
107.04917	1.4
108.08111	1.0
109.06513	2.1
109.07620	0.6
111.04491	0.7
112.55738	0.9
113.05920	5.2
116.98615	3.8
117.98958	1.3
118.06540	3.1
119.01910	0.8
119.04945	28.8
120.06482	0.4
121.06519	0.7
122.07178	0.8
123.04430	12.2
123.05346	1.0
127.05611	1.4
132.04468	1.5
134.99686	2.5
135.06808	1.1
135.56978	7.5
135.99997	1.1
136.07585	100.0
137.05981	1.1
137.07956	1.7
139.03923	0.6
140.04692	0.5
140.08237	0.7
147.04405	5.8
150.05519	2.4
154.04971	0.5
154.08638	0.6
160.04587	0.6
160.80617	0.6
164.07065	3.3
165.05486	9.9
177.00735	0.7
182.04507	0.9
182.08109	9.1
182.09511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.01073	1.0
53.03943	1.7
55.01873	1.6
55.05492	3.4
56.96573	5.4
57.07074	27.8
59.04990	3.4
66.29146	1.2
67.05505	2.7
69.03413	1.9
69.07053	4.9
69.71494	1.0
70.72089	1.4
70.72436	2.2
74.43262	1.1
79.05501	10.3
81.03426	7.3
81.07056	5.0
82.57303	0.9
83.04979	53.0
83.65834	1.2
91.05479	3.0
93.07043	6.4
95.04971	17.3
97.06532	32.3
98.97583	27.6
105.07033	5.4
107.04936	3.5
107.08598	10.2
109.06441	1.7
111.04424	1.1
116.98611	35.6
117.06994	1.8
119.08545	2.6
121.06493	2.8
121.10145	11.1
125.05992	89.1
126.06276	1.2
130.07784	1.8
130.91032	1.1
134.99658	59.9
135.04366	1.4
135.11708	4.3
140.00175	6.8
145.10114	11.8
153.00691	15.9
158.01256	19.1
163.03918	2.8
163.11180	100.0
164.11551	2.7
176.02257	4.1
181.02852	3.3
181.04942	3.0
181.06393	1.1
181.08601	1.2
181.12227	41.9
182.12541	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01863	1.5
55.05503	2.1
56.96556	3.9
57.07075	32.6
57.74665	1.4
59.04999	2.9
60.67048	1.6
69.07057	6.3
69.34377	17.1
77.75300	1.5
79.05502	10.6
81.03419	8.3
81.07054	4.7
81.67969	1.4
83.04474	3.3
83.04982	63.2
91.05475	3.1
93.07032	7.6
95.04965	20.2
97.06532	33.5
98.97579	26.6
105.07044	3.9
106.74056	1.6
107.04963	3.2
107.08595	10.5
116.97277	1.9
116.98621	32.6
117.07015	2.0
119.08562	4.1
121.06544	2.8
121.10143	12.1
125.05990	92.2
130.07825	2.5
134.99654	33.8
135.11702	7.2
140.00160	6.0
145.10114	11.4
153.00674	4.4
157.35255	1.5
158.01286	9.7
163.03914	1.6
163.11180	100.0
181.04976	1.9
181.12241	40.2
182.12598	1.6
202.07849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.13693	1.9
56.96560	12.9
57.00234	2.2
57.07076	18.3
69.07055	4.3
70.22115	7.1
71.01852	2.1
79.05486	7.1
81.03421	5.9
81.07075	3.0
83.04984	38.8
87.14924	2.0
93.07029	6.7
95.04961	15.5
97.06524	17.1
98.97588	46.1
98.98211	4.7
105.07013	4.9
107.04987	2.3
107.08598	8.5
107.59894	2.8
116.97304	2.9
116.98618	62.5
121.10152	11.8
125.05987	62.2
134.99655	100.0
135.04379	2.0
135.11630	6.8
140.00192	10.6
141.01541	2.2
145.10132	7.6
153.00714	27.0
158.01242	30.7
163.03886	2.8
163.11172	61.9
163.12540	3.3
176.02284	7.7
181.02846	5.4
181.04872	3.9
181.12221	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
50.84941	0.3
55.01842	0.3
55.05495	0.4
56.96319	0.5
56.96565	4.0
57.92886	0.3
59.06137	0.4
63.02378	0.4
64.41716	0.3
67.05499	0.5
68.05018	0.4
70.38293	1.0
71.95252	0.6
72.04485	0.3
79.05493	2.5
80.05845	0.3
81.07066	0.5
83.04974	0.4
83.06084	0.4
84.04546	0.3
89.03915	10.0
91.05468	1.4
93.07033	0.8
93.37928	0.3
95.04964	0.9
95.06076	0.5
95.08584	0.3
97.02873	0.3
97.06526	0.5
97.07649	0.6
98.21357	0.4
98.97584	27.8
99.05589	0.5
107.04959	5.0
107.08540	0.3
109.07657	0.4
110.07220	0.3
111.04443	1.2
116.98622	33.1
117.03378	12.9
117.04216	0.5
119.04951	0.4
120.08099	0.4
120.80132	0.3
121.06485	0.5
121.08444	1.2
121.10142	0.8
122.06041	0.9
122.07146	0.7
123.07972	0.4
125.05998	0.7
127.44873	0.3
134.99661	31.1
135.04417	29.1
135.05519	0.3
135.08006	0.7
135.11691	0.5
136.04726	0.7
136.07567	0.6
137.02287	0.3
139.03859	0.6
140.00159	1.6
140.08211	0.5
145.02847	18.4
153.00711	5.9
153.05505	0.5
158.01277	4.2
158.06000	0.4
163.03905	100.0
163.11182	1.0
164.04253	1.8
164.08202	0.4
176.02309	0.7
181.05026	2.4
181.10794	1.4
181.12271	1.1
182.04645	0.3
186.05460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
56.96566	4.5
58.01473	0.9
58.99864	0.9
63.34720	0.8
71.41738	1.5
77.00903	1.5
82.01450	1.5
85.02898	1.5
98.00874	1.1
98.97585	24.8
100.02488	9.5
101.00902	0.9
102.00974	1.8
103.02421	0.9
108.04464	2.6
116.01949	15.2
116.97811	1.8
116.98616	26.9
118.03539	9.3
119.01923	5.9
119.03699	1.0
120.02018	17.7
120.03277	0.9
121.01675	5.1
131.05556	1.2
132.05060	1.7
133.03433	2.0
134.02988	100.0
134.98636	1.5
134.99657	27.7
135.03131	2.9
135.04153	1.0
136.04591	2.0
137.02991	4.1
138.03059	9.3
139.02625	2.2
139.03555	8.0
140.00264	1.1
142.03531	1.1
149.06581	1.9
152.04025	18.3
152.07077	1.3
153.00740	4.7
157.03474	4.0
157.04581	60.8
158.01230	2.6
158.03017	3.8
158.04889	2.2
162.03084	4.4
162.04324	1.9
162.09088	1.0
163.02690	1.0
165.09138	0.9
168.57167	1.0
168.89977	1.0
172.04526	2.1
175.04466	2.0
175.05693	7.6
176.03993	4.7
179.99086	1.6
180.04042	7.7
180.06363	2.7
180.09933	0.9
181.03683	2.0
181.10765	1.2
198.00203	1.0
199.05652	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03931	1.6
55.01855	3.4
55.05511	14.3
56.96552	3.3
57.03436	5.3
57.07073	9.8
59.04996	2.5
65.03922	2.4
67.05505	28.2
69.03423	6.9
69.07068	22.2
71.04978	3.2
71.08643	5.5
71.56507	1.4
79.05489	6.8
81.04523	1.2
81.06583	1.3
81.07053	23.4
83.04981	37.8
83.06100	1.5
83.08630	8.6
85.06532	4.5
87.42136	0.9
89.03930	1.4
90.83159	0.9
91.05481	12.8
93.07047	19.8
93.99049	1.2
95.04971	22.0
95.06059	3.5
95.08607	93.4
96.08949	2.6
97.10150	4.4
99.08047	1.3
104.51169	1.0
105.03404	5.0
105.06388	1.3
105.07033	16.3
107.08598	27.2
108.04438	1.4
109.06522	17.4
109.07652	1.7
109.10154	39.3
110.07098	1.4
111.08076	2.3
117.03390	1.0
117.06988	2.4
119.04099	1.4
119.04941	5.6
119.08585	22.0
120.05572	1.5
121.06523	3.3
121.08862	1.4
121.10147	25.7
123.04414	4.0
123.08069	47.9
123.11703	7.1
124.08819	3.1
133.02887	1.8
133.06454	4.3
133.10132	15.7
134.06000	1.3
135.11688	22.9
136.08731	1.9
136.11212	10.4
137.05997	2.7
137.08240	5.3
137.09619	17.5
137.13297	6.5
138.06563	1.3
143.08588	1.1
145.02870	1.3
146.03647	1.1
147.03418	6.0
147.04463	7.2
151.03880	1.7
151.11180	3.5
151.14819	43.5
151.16034	2.3
151.94096	1.4
152.08130	2.0
152.15144	1.6
161.05978	5.3
161.09622	7.6
161.13254	20.5
162.12708	2.0
179.03413	13.0
179.05777	1.5
179.06975	5.0
179.09241	3.8
179.10780	7.4
179.14307	100.0
180.06512	1.4
180.14600	2.8
190.69031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.3
56.05030	0.8
58.99856	0.7
68.05013	1.0
69.03418	1.3
69.77271	4.0
81.04527	1.3
81.07017	0.7
82.01424	0.7
82.84709	0.6
82.99846	1.2
83.06057	1.5
84.04518	0.6
91.05474	1.8
93.07057	0.6
95.04996	0.8
95.06083	1.9
95.08549	0.7
96.06850	0.6
98.21486	0.8
100.02484	4.5
101.00877	12.0
104.93822	0.5
105.07031	2.1
115.01162	2.5
115.02428	1.6
115.03558	0.8
116.01954	2.3
118.03525	5.2
119.01923	100.0
119.04942	2.0
120.02035	2.7
120.05620	0.7
121.01630	0.7
121.12217	0.6
122.07140	0.7
123.05603	0.6
133.01617	1.9
133.03494	12.3
133.04520	1.4
133.06415	0.8
133.10149	1.5
134.02986	17.0
134.07208	1.1
134.53481	0.6
136.05128	0.6
137.02962	45.4
137.08244	3.9
138.03056	1.4
139.03561	1.2
142.03485	3.9
147.04439	3.8
151.04543	5.7
152.04056	3.8
152.08194	1.4
156.03186	0.8
156.05083	6.9
156.06187	1.6
157.03400	1.0
157.04596	10.1
160.04565	1.2
161.02959	21.6
161.04306	1.1
161.05943	1.3
161.09651	0.7
174.04773	0.7
174.06082	4.3
175.05708	1.2
179.04044	41.6
179.06950	1.4
179.09314	2.4
179.10742	1.7
179.14432	0.8
180.04196	1.9
180.06354	0.7
184.04515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	5.0
55.01869	3.2
55.05514	17.2
56.96575	3.3
57.03442	8.5
57.07070	2.4
59.04996	1.7
65.03942	2.4
67.05506	16.0
69.03422	6.4
69.07070	28.0
70.29534	7.8
71.04994	10.5
78.04673	2.0
79.05493	40.2
81.07056	37.4
83.04973	1.8
83.08611	7.5
88.02206	3.3
89.03403	3.0
89.03917	39.4
90.04280	1.6
91.05486	39.7
93.07048	71.0
95.04970	11.1
95.08142	1.8
95.08614	21.6
96.72043	1.8
97.06492	1.8
98.30047	1.6
98.98472	18.4
103.05449	6.0
105.07028	39.3
106.04153	3.9
107.04967	9.2
107.08598	51.4
109.06524	11.9
109.10152	3.0
115.05451	7.5
117.03378	65.6
117.07018	44.6
118.03711	2.4
119.04935	2.6
119.08593	15.5
121.02859	3.7
121.06506	22.7
121.09304	3.1
121.10143	28.1
121.72004	1.8
124.05247	1.9
129.06984	7.4
130.07764	4.7
131.04913	4.5
131.08566	33.2
133.06487	4.0
133.10141	13.0
134.03644	9.6
134.04541	1.6
135.04492	7.8
135.08064	11.0
135.10783	2.4
135.11700	14.2
137.21881	1.4
144.09351	9.1
145.02850	100.0
145.06490	20.9
146.03206	4.1
149.02325	18.6
149.05984	31.3
149.09637	5.3
149.13245	14.3
158.05991	2.7
159.04379	1.9
159.08054	4.2
159.11697	34.1
162.03120	4.3
163.03859	4.4
177.05466	54.1
177.06836	3.3
177.07625	2.3
177.09093	40.7
177.12747	49.9
177.16483	10.7
178.07236	1.9
178.08618	6.4
186.05521	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03916	0.6
55.01864	1.2
55.05501	2.3
55.91066	0.5
56.96561	1.1
57.03426	0.9
57.07073	3.1
59.06118	0.8
63.02364	1.1
65.03927	0.7
67.05505	3.1
69.03430	5.8
69.07062	4.7
71.04988	0.8
71.57639	0.7
72.56307	0.5
77.48344	0.5
78.04714	1.9
79.05497	6.1
81.04552	0.7
81.07062	3.2
83.04964	1.5
85.06542	2.2
87.05582	1.9
88.02196	0.6
89.03916	38.0
90.04225	1.1
91.05477	15.1
93.07043	15.9
94.20953	0.6
95.04976	2.5
95.06100	0.7
95.08585	2.4
97.06517	1.5
98.90113	0.5
98.97582	1.4
98.98454	4.4
103.05468	3.2
105.04520	0.6
105.07031	22.3
106.04182	2.6
107.04958	2.2
107.08591	29.7
108.08915	0.7
109.06511	3.1
109.07668	0.6
109.10136	1.1
115.05444	1.4
116.06229	1.0
116.98619	1.7
117.03378	63.4
117.07025	14.3
118.03694	2.2
118.06496	0.6
119.04942	0.8
119.08578	40.8
120.08862	1.1
121.06503	8.2
121.10141	13.2
122.03998	0.5
122.07131	0.6
123.08057	1.4
124.05209	0.9
129.07002	9.6
130.07854	3.7
131.04909	1.0
131.08569	25.6
132.04509	0.9
132.08043	1.0
132.08908	0.7
133.06548	0.7
133.10133	19.1
134.03635	7.5
134.99652	1.6
135.04424	7.0
135.08055	5.9
135.11690	41.8
136.08713	1.1
136.11974	0.8
137.09554	1.8
142.07764	0.8
143.08556	1.4
144.09341	19.5
145.02841	100.0
146.03174	4.2
147.04446	1.0
147.08018	1.4
149.02353	3.0
149.05978	25.1
149.09598	2.1
149.13258	14.0
150.06383	1.0
153.05496	0.8
157.10109	3.0
158.06065	1.3
159.08031	1.4
159.11691	90.9
160.07553	2.0
160.12010	3.2
162.03084	2.0
162.06847	0.7
162.10379	2.4
163.03899	2.0
165.43369	0.5
177.05470	38.5
177.07664	1.1
177.09109	6.1
177.12743	65.3
178.03377	0.8
178.04999	1.8
178.08621	1.4
178.10815	0.8
178.13104	2.2
182.26418	0.5
186.05492	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03937	0.9
53.56725	0.6
55.01871	1.0
55.05512	1.3
57.07081	2.0
59.06118	0.6
63.02373	1.1
65.03934	0.9
65.49292	0.6
67.05496	2.9
67.28948	0.8
67.31739	0.6
69.03434	2.1
69.07060	2.9
69.46538	1.9
69.46960	3.9
75.88067	0.6
78.04710	2.4
79.05499	3.4
81.07035	1.5
83.04956	0.7
87.05608	1.3
89.03918	37.4
90.04240	1.5
91.05476	9.4
93.07044	9.3
95.04946	1.8
95.08605	2.5
98.97581	0.9
98.98466	4.5
103.05489	2.4
105.07034	14.8
106.04176	2.6
107.04958	2.3
107.08598	18.4
109.06527	1.6
115.05449	1.2
116.98660	1.5
117.03382	62.0
117.07030	8.3
118.03704	1.6
119.04868	0.9
119.08594	13.0
121.02884	0.8
121.06505	4.1
121.09332	0.8
121.10150	8.4
124.05304	1.0
126.33559	0.6
128.06235	1.1
129.06993	5.9
130.07800	2.7
131.04921	0.9
131.08569	18.3
133.10124	14.0
134.03654	7.5
134.07121	0.7
134.10614	0.6
135.04424	8.8
135.08047	1.9
135.11697	31.3
136.12061	1.4
137.09550	1.4
142.07733	0.9
143.08571	1.2
144.09344	15.2
145.02847	100.0
146.03197	4.0
146.51021	0.7
149.02361	4.0
149.05986	24.3
149.09625	1.5
149.13280	6.4
150.89328	0.6
153.05463	0.7
157.10147	1.5
158.05984	1.0
159.08141	1.7
159.11694	64.6
160.12070	1.4
162.03142	2.3
163.03947	4.9
177.05479	47.9
177.09018	5.0
177.11340	2.2
177.12744	23.6
177.16371	1.6
178.04745	0.9
178.05952	1.4
178.08459	1.7
186.05551	3.2
194.34692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57943	0.6
53.03940	1.3
55.01864	0.9
55.05512	2.2
56.65910	0.6
56.96553	0.7
57.03442	0.9
57.07064	0.8
59.06121	1.4
60.04542	0.7
63.02378	1.4
65.03944	1.1
67.05516	3.3
68.05035	0.7
69.03435	2.3
69.07076	3.1
70.06594	0.7
71.04995	0.7
71.57355	0.7
71.57721	0.7
78.04720	2.5
79.05496	5.1
80.05009	0.7
81.03418	0.8
81.04537	1.0
81.07057	3.6
82.06592	0.6
83.04977	1.4
87.05598	3.2
88.02229	0.7
89.03917	33.6
90.04244	1.1
91.05482	12.3
93.07053	11.8
94.06528	0.7
95.04971	3.1
95.06107	1.6
95.08616	5.1
97.07635	1.1
98.25201	0.7
98.97607	2.6
98.98465	6.0
103.05468	2.9
105.07033	17.9
106.04169	2.5
107.04965	1.6
107.07861	1.2
107.08593	20.7
109.06535	2.0
109.07651	1.0
115.05448	1.7
116.06215	1.6
116.98626	2.8
117.03381	66.4
117.07024	11.1
118.03721	1.5
119.04964	1.4
119.06080	0.7
119.08582	13.7
120.09428	0.8
121.02866	1.3
121.06490	4.2
121.07328	0.7
121.10149	10.6
124.05207	1.2
127.41714	0.6
128.06224	1.1
129.07014	7.4
130.07793	3.0
131.01877	0.7
131.04916	1.3
131.07004	1.2
131.08569	24.0
133.06477	1.0
133.10135	14.9
134.03644	8.3
134.07170	1.3
134.99677	2.9
135.04401	7.1
135.08081	3.1
135.11694	31.3
136.08684	1.3
136.12054	0.6
137.08269	1.0
137.09511	2.1
141.11467	1.9
142.07875	1.2
143.08530	0.8
144.08214	0.5
144.09344	17.1
145.02844	100.0
146.03172	4.2
147.04326	0.7
149.02333	4.9
149.05983	28.8
149.09633	2.0
149.13268	8.6
150.06425	2.0
150.10268	1.2
153.00716	0.6
157.10126	3.1
158.06012	0.8
159.04337	0.7
159.08151	3.0
159.11693	66.2
160.08701	1.5
160.12047	2.4
162.03139	2.3
163.03889	4.3
169.12881	0.7
177.05470	45.0
177.08998	6.5
177.11354	2.8
177.12732	26.6
177.16383	2.2
178.04926	1.9
178.06073	0.8
178.08652	2.1
178.10887	1.6
178.13249	0.9
186.05527	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	176.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
56.96572	0.7
57.02877	0.5
57.07066	0.5
57.93558	0.5
58.01439	0.5
58.93149	0.5
58.99868	0.5
59.06132	3.3
60.04530	0.6
69.03430	0.7
70.04663	1.7
70.05074	0.9
75.05589	0.7
75.94603	0.6
77.00896	0.9
80.26947	0.5
84.04480	0.6
85.02911	0.6
86.06064	0.8
86.08439	0.6
87.05584	1.3
91.05510	0.6
97.02854	0.8
98.00907	0.8
98.97578	4.6
98.98473	2.0
99.05550	0.6
100.02463	3.1
101.00853	2.9
101.07144	0.9
103.00568	0.7
104.02550	0.7
105.07011	0.9
113.00859	1.1
116.01949	12.3
116.02740	0.9
116.97240	8.9
116.98592	6.5
118.03524	13.2
119.01925	30.4
119.03663	1.2
120.02024	3.0
120.03212	0.6
120.08060	0.6
120.77156	0.5
121.01678	3.8
122.03573	0.5
130.01669	0.6
130.03506	1.2
130.06552	1.3
131.01898	7.8
131.99524	3.0
132.05055	1.0
133.03485	1.2
133.04492	0.6
134.02988	100.0
134.99667	9.8
135.03262	2.8
135.06548	0.6
136.04556	6.3
137.02972	17.2
137.04016	1.4
138.03081	1.8
138.04234	0.7
138.49889	2.9
139.02670	1.5
139.03586	0.7
139.49771	0.6
140.72948	0.4
141.00192	1.4
141.05086	0.8
142.03505	3.3
144.57700	0.6
146.03578	0.8
148.04668	0.6
148.96216	1.0
149.02980	3.0
150.00720	4.0
150.06175	0.6
150.19156	0.6
150.50743	0.6
151.00490	0.8
152.04019	23.0
152.05928	1.7
152.96931	4.2
153.00723	1.8
153.04097	1.9
153.52727	0.7
153.58067	0.6
154.03519	4.6
157.04584	5.3
157.97563	0.7
158.01250	1.4
158.02975	11.9
158.04871	1.1
160.04588	1.7
161.04608	1.0
162.04300	0.6
170.98041	1.0
171.01387	5.2
171.05040	1.3
172.04575	2.0
175.98566	5.3
176.04083	38.6
176.05852	7.2
176.07133	3.9
176.10406	0.9
176.14264	0.9
177.00909	1.9
177.04155	2.0
185.02904	0.9
189.02354	2.4
194.03317	1.0
194.05125	12.9
194.06976	1.8
199.05659	4.4
199.07329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03947	0.7
55.05507	8.9
57.07072	1.3
67.05504	3.1
69.07068	20.4
70.06573	0.9
70.99183	1.2
71.05003	0.8
79.05502	2.6
81.07059	11.6
83.08610	4.0
91.05482	11.5
93.07043	6.1
95.08610	11.1
98.98447	5.4
103.05494	1.1
105.07030	33.7
106.07344	0.7
107.08595	7.5
109.10130	0.9
115.05450	0.6
117.07006	3.3
118.07857	0.5
119.08579	81.4
120.08855	1.2
121.10165	2.6
130.06544	0.6
131.08559	5.4
132.09349	0.8
133.10126	77.7
134.05974	0.5
134.10471	2.1
135.11694	0.5
142.07722	0.5
145.10120	5.6
146.10899	1.2
147.11687	13.1
157.10057	0.7
158.10941	0.8
159.11613	0.7
160.05211	0.6
160.08900	0.8
160.12456	3.5
173.13268	2.0
175.07620	2.2
175.11217	3.4
175.14822	100.0
175.18845	3.5
176.07124	1.5
176.15175	3.9
188.82233	0.5
194.59050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50058	1.1
60.05645	3.8
60.08162	3.1
62.48496	1.2
63.26941	1.1
65.56343	1.3
67.05502	3.4
69.52215	5.0
69.52651	5.1
70.06599	6.0
71.04999	3.3
71.06924	4.5
80.74821	1.1
83.32876	1.1
85.06519	6.3
117.07415	1.9
119.02003	1.2
128.58269	1.2
130.08675	1.3
130.09689	2.2
131.01961	1.7
132.02113	100.0
144.13818	12.3
150.03122	1.4
176.01096	25.1
176.06975	1.9
176.10390	3.2
176.12277	2.1
176.16437	11.2
184.50294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.3
53.03946	30.5
53.90536	1.4
55.05513	16.1
56.96562	1.3
58.75268	1.5
58.99603	2.9
61.00877	1.9
61.01152	25.7
62.99075	10.2
65.00637	10.9
65.03945	3.6
67.04235	2.0
67.05496	3.5
68.05015	6.1
69.03408	6.6
69.05795	1.7
69.07056	6.2
69.55286	8.4
69.55701	3.0
71.05002	8.1
71.99104	9.1
73.01126	1.9
75.02688	5.8
78.03453	5.8
78.96789	2.1
79.05476	1.6
80.04995	2.5
81.07075	2.2
82.99562	4.2
85.01129	56.0
87.02691	36.2
87.05602	1.9
89.00610	2.5
89.03905	3.3
91.05474	3.2
93.07061	1.4
95.04942	1.8
96.04491	67.9
97.22952	1.2
98.21468	3.1
98.98435	4.1
100.02194	4.4
101.02984	4.2
101.04234	13.9
103.02167	37.1
103.05480	1.6
104.02953	3.3
105.07021	7.9
106.07344	4.7
107.04922	2.0
108.01982	1.6
112.02190	100.0
113.02958	4.7
117.03764	16.1
118.06534	3.3
119.08573	4.4
120.08084	3.7
120.08910	10.1
121.06494	2.0
122.06776	1.6
123.04386	1.6
130.06529	15.6
131.08594	2.1
133.10126	2.6
134.07129	2.2
134.10513	7.4
134.99580	3.0
135.04381	2.2
145.02817	12.0
148.05176	2.6
148.07571	6.2
148.11958	2.0
149.02373	1.7
149.06032	2.9
158.01009	1.5
158.06033	4.3
159.11795	1.6
161.04716	3.5
161.05957	3.1
161.09433	1.5
176.01991	87.6
176.07024	22.2
176.11615	7.1
176.15317	16.3
177.05484	8.1
177.09109	2.4
177.12747	1.4
179.24739	1.2
198.05424	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18177	0.5
53.03947	0.6
55.05513	6.8
56.96565	2.7
57.03433	0.7
57.07074	1.0
65.03941	0.7
67.05514	3.0
69.03435	1.7
69.07066	17.7
69.52361	5.1
70.06587	1.3
70.07407	0.5
79.05501	3.3
81.07063	9.7
83.04985	0.6
83.08624	4.7
85.02907	1.9
87.04473	0.8
91.05478	11.8
93.07054	5.5
95.04962	0.7
95.08617	7.0
96.03008	0.5
97.02879	1.2
98.98472	17.6
103.05445	0.9
105.07031	27.8
106.07369	0.9
107.04936	0.7
107.08595	6.7
107.46726	0.5
109.10098	0.5
111.04427	0.6
115.05441	1.5
116.07073	0.7
116.99512	1.1
117.07002	2.8
119.08584	73.6
120.08926	1.9
121.06577	0.7
121.10143	2.1
129.07004	2.2
130.06522	1.6
131.08571	4.6
132.04440	1.4
132.05690	0.7
133.10132	65.0
134.10483	1.7
135.07916	0.7
141.04865	1.3
142.07809	1.9
143.55165	1.4
145.06511	1.4
145.10152	4.1
146.06071	0.6
146.07175	0.7
146.10841	1.6
147.04427	1.0
147.08055	1.5
147.10524	0.6
147.11693	11.4
152.55730	0.8
157.01724	1.0
157.06531	0.7
157.10139	2.7
160.05183	2.5
160.08888	3.4
160.12503	2.7
173.11243	0.7
173.13263	2.0
175.02747	8.4
175.03906	0.9
175.06128	0.8
175.07536	6.1
175.11230	12.0
175.14827	100.0
176.06981	3.3
176.15230	3.8
179.76520	0.5
184.02864	0.8
193.03839	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.93175	0.8
52.05831	0.8
54.06441	0.7
55.05516	5.6
64.61565	0.8
67.05491	2.4
69.07069	13.0
69.75769	4.3
70.06580	0.7
79.05484	1.9
80.55783	0.7
81.07063	8.4
83.08604	2.5
91.05481	6.4
93.07022	2.1
95.08610	6.6
98.20822	1.2
98.98472	4.1
103.80686	0.7
105.07026	20.5
106.07340	1.1
107.08576	5.2
117.07009	2.6
119.08579	67.1
120.08901	1.8
121.10130	2.3
129.06937	0.8
131.08560	3.5
132.09311	0.9
133.10130	64.6
145.10123	3.4
146.10828	1.2
147.11693	9.9
148.20180	0.7
159.11656	1.0
160.08908	1.1
160.12447	2.6
167.47977	0.9
173.13249	2.4
175.07510	1.4
175.11417	4.4
175.14825	100.0
176.15128	2.5
193.55766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82491	0.4
53.03944	0.5
54.12065	0.4
55.05510	6.0
56.96575	0.5
57.07072	0.6
67.05505	2.1
69.03443	0.7
69.07068	16.7
70.06600	0.8
79.05466	2.5
81.07059	7.5
83.05013	0.6
83.08626	3.6
87.04514	0.3
91.05482	9.0
91.06014	0.7
93.07038	3.2
95.04977	0.6
95.08604	6.4
97.02879	0.8
98.98468	6.0
103.05482	1.0
105.07030	21.6
106.07325	0.5
107.04943	0.5
107.08595	5.0
116.99520	0.5
117.06991	2.6
118.07823	0.5
119.08582	66.0
120.08904	1.7
121.06483	0.5
121.10136	1.7
127.03972	0.4
129.07005	1.8
130.06551	1.0
131.08559	3.4
133.10132	58.7
134.10509	1.6
135.07901	0.6
135.11694	0.4
145.06508	0.5
145.10117	5.2
146.10905	0.9
147.08058	0.7
147.11687	11.4
148.11966	0.5
157.06490	0.6
157.10130	1.4
159.11646	1.0
160.08894	0.7
160.12489	2.8
173.13261	2.0
175.04091	0.4
175.07518	2.9
175.11339	6.2
175.14825	100.0
176.07045	1.5
176.15181	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00309	0.3
53.03947	0.7
55.05512	7.3
60.84372	0.4
67.05504	2.6
69.03437	0.6
69.07072	10.8
69.57175	3.1
79.05482	3.4
81.06584	0.8
81.07063	13.3
83.08620	3.0
91.05484	11.5
93.07050	5.3
95.04985	0.7
95.08604	10.9
97.02946	0.5
97.10126	0.5
98.98473	3.6
103.05473	0.6
104.06235	0.5
105.07036	40.2
106.07386	0.9
107.08605	8.8
109.10159	0.9
115.05451	0.8
117.06997	3.1
119.08588	70.1
120.08949	1.6
121.10156	1.6
131.08578	7.0
132.09230	0.5
133.10136	47.1
134.10501	1.5
135.08025	0.6
145.06480	0.6
145.10143	3.1
146.10921	3.0
147.08095	0.4
147.11694	15.7
148.12102	0.6
156.75398	0.4
160.08855	1.6
160.12476	1.1
173.13315	1.6
175.11353	7.2
175.14833	100.0
176.07045	0.6
176.15163	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.03965	1.2
50.24829	0.9
51.74090	1.0
55.05506	5.7
60.53055	0.9
62.19132	1.1
67.05497	1.5
69.07069	17.1
69.74504	6.3
77.36782	1.0
79.05476	2.3
80.73244	1.1
81.07059	9.3
83.08622	3.2
88.19582	1.2
91.05485	8.5
93.07042	4.1
95.08638	6.9
97.02879	1.1
98.98468	6.5
103.05411	1.0
105.07028	25.4
106.07348	1.6
107.08575	5.2
117.07005	2.1
119.08584	74.0
120.09027	1.6
121.10158	1.1
129.06995	2.1
130.06520	1.0
131.00598	0.9
131.08559	3.9
133.10135	61.1
134.10429	1.4
145.06598	1.1
145.10127	4.3
147.11711	10.0
156.03418	0.9
160.12505	3.0
173.13295	1.8
175.03905	1.2
175.07573	2.3
175.11250	3.4
175.14838	100.0
176.07085	1.6
176.15176	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01871	1.2
55.05299	0.5
55.05514	5.4
57.03424	0.9
57.07087	0.8
62.07962	0.4
62.12570	0.5
65.03967	0.5
67.05505	3.1
69.03418	1.1
69.07068	17.0
69.52966	3.6
70.06579	1.4
79.05494	4.9
81.03410	2.1
81.07056	11.7
83.08624	3.8
85.02901	1.5
87.04477	0.5
91.05481	15.4
92.05804	0.5
93.07047	5.9
95.04998	2.5
95.08594	8.3
97.02880	1.4
98.21439	1.0
98.98465	14.0
103.05455	1.1
105.07030	31.4
107.04980	2.2
107.08594	6.3
111.04414	0.8
115.03909	0.5
115.05427	2.5
116.97198	0.5
116.99503	0.6
117.07014	3.8
119.08582	76.1
120.08125	0.6
120.08917	1.7
121.06522	0.9
121.10129	2.6
128.06224	1.3
129.07016	6.0
130.06540	1.9
131.08549	7.4
132.05659	0.5
133.06479	3.5
133.10130	67.6
134.10500	1.5
135.07996	0.7
135.11676	0.7
142.07782	3.3
145.06451	0.8
145.10109	4.6
146.10803	0.6
147.04404	0.7
147.08043	2.1
147.11681	13.0
148.07495	0.5
148.08598	0.5
148.12062	0.7
157.06413	1.0
157.10121	7.1
158.06035	0.7
160.05217	1.1
160.08884	2.6
160.12488	2.0
173.13268	1.9
175.03941	1.5
175.07571	5.2
175.11198	26.4
175.14819	100.0
176.07048	3.0
176.11444	0.5
176.15237	3.1
185.88681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.36359	0.8
55.05515	6.6
55.68515	0.8
57.07056	0.9
60.85270	1.0
67.05504	1.5
67.53596	0.8
69.06718	1.4
69.07066	18.4
70.06567	1.0
71.02530	2.3
73.77909	0.8
79.05477	2.0
81.07054	4.2
83.08621	5.7
91.05474	6.0
93.07034	3.4
95.08611	4.0
97.02901	1.0
98.98453	5.8
103.05447	0.9
105.07036	21.0
106.07343	0.9
107.04961	1.5
107.08598	4.3
117.06997	3.6
119.08582	75.5
120.08960	0.9
121.10139	2.6
130.06560	1.4
131.08557	3.1
133.06479	3.7
133.10133	56.5
134.10461	2.1
145.10149	4.4
146.10948	1.1
147.11687	10.0
160.08800	1.6
160.12430	2.6
173.13290	2.2
175.07526	2.5
175.11327	7.5
175.14825	100.0
176.06989	1.9
176.15123	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	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
57.03430	0.4
58.06606	0.5
60.05648	36.5
67.05492	0.5
70.06592	100.0
70.63448	1.2
71.04994	1.8
71.06922	1.1
72.08156	5.7
84.08159	2.4
85.02910	0.6
85.06533	0.6
88.07635	1.2
91.14840	0.4
97.02912	0.6
97.07651	0.8
98.06050	0.8
98.98463	2.2
101.00886	0.6
101.34349	0.4
112.07624	3.9
112.08720	4.9
114.10277	0.6
115.05916	0.6
115.08704	0.7
116.07095	31.1
119.01911	1.7
119.08588	0.5
130.08665	1.4
130.09752	13.1
131.01909	0.5
132.02113	12.5
133.09827	0.5
137.02917	0.6
144.13869	1.0
147.08136	0.4
157.10837	1.6
158.09244	10.0
175.07664	0.8
175.11917	34.2
175.14410	0.9
176.01047	3.4
176.07057	0.4
176.10382	0.9
176.12273	0.6
176.16440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06842	0.4
55.01871	1.5
55.05513	1.9
56.05035	0.6
56.96555	2.5
57.03437	1.2
59.06105	0.9
60.04530	0.8
60.05650	39.4
60.08159	0.5
61.02917	1.0
65.03925	0.5
67.05481	0.8
67.61747	0.4
68.05016	0.6
69.03429	3.4
69.07071	1.4
69.26349	0.4
70.06593	100.0
70.59818	0.4
70.94542	1.0
71.04990	2.9
71.06923	0.9
72.04509	1.4
72.07794	0.7
72.08161	6.1
72.93772	0.8
73.02908	1.1
74.06081	1.4
75.22444	0.5
76.04005	0.6
77.00921	0.6
79.05518	0.5
80.04986	0.6
81.03434	0.5
81.07064	0.7
83.04968	1.1
84.04514	0.9
84.08146	3.5
85.02892	2.0
86.06108	0.6
86.09714	0.9
87.04479	0.6
88.07635	1.0
90.94830	0.4
91.05489	1.8
93.07047	0.6
95.04975	1.2
97.02911	2.1
97.07658	0.9
98.06084	1.2
98.97581	2.3
98.98465	10.0
99.04491	0.5
101.06004	1.0
102.01921	0.5
103.02453	0.7
103.05531	0.6
104.05013	0.4
105.07045	1.7
111.04459	1.5
111.05565	0.5
112.07597	1.0
112.07985	0.4
112.08739	4.8
112.11295	0.4
113.07166	0.8
114.10294	0.9
115.03950	0.7
115.08691	0.8
116.03466	0.8
116.07092	32.5
116.97252	2.8
116.98629	1.8
118.03558	0.8
119.01916	3.1
119.08576	2.8
120.08143	0.5
121.02740	0.4
121.06477	0.8
125.02647	0.5
127.03897	0.6
128.07120	0.5
128.98637	0.5
129.01917	0.6
129.07025	0.9
130.06564	1.1
130.08685	2.1
130.09749	12.5
130.12317	1.4
131.04909	0.6
132.95874	0.7
133.03499	1.7
133.06108	0.6
133.10118	1.7
134.03024	1.4
134.99663	1.3
137.02959	1.5
139.03868	0.6
140.10719	0.9
140.56038	0.5
141.06622	0.5
145.03510	0.6
147.04387	0.7
147.08067	0.7
148.07535	0.7
150.96902	1.3
151.04561	0.9
151.93872	0.7
151.97203	0.9
152.04030	0.5
152.96977	0.7
157.04898	0.6
157.10875	1.6
158.06084	1.2
158.07993	0.8
158.09259	10.5
158.11745	0.6
159.09674	0.5
161.03052	0.8
163.00540	0.4
163.04475	0.5
174.99014	0.5
175.02412	0.8
175.04507	2.5
175.05914	1.2
175.07509	2.3
175.08807	1.0
175.11945	31.1
175.15128	2.4
175.98563	1.2
176.04041	0.6
176.07121	1.6
176.10518	0.6
177.00749	0.6
179.02065	0.5
193.00214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.05263	0.7
55.05513	9.4
57.07070	0.9
59.11155	0.6
67.05493	2.8
69.03425	0.9
69.07069	10.3
71.05476	1.4
79.05495	4.3
81.07058	14.1
83.08613	4.0
91.05479	10.1
93.07045	7.1
95.08598	11.2
98.98462	2.1
103.05499	1.1
105.07031	44.1
107.08588	7.7
117.07022	3.1
119.08578	70.6
120.08897	1.3
121.10110	1.5
131.08554	7.1
132.09270	0.8
133.10127	46.0
134.10451	2.0
145.10121	2.7
146.10866	3.0
147.11691	14.0
157.10156	0.8
160.08830	1.2
160.12488	1.2
173.13306	2.7
175.11369	5.3
175.14827	100.0
176.15198	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05512	6.3
57.03423	1.3
57.07074	2.4
59.05016	1.2
64.10743	0.5
65.03947	0.6
65.70338	0.5
65.99087	0.5
67.05508	3.4
69.03458	0.5
69.07060	0.9
70.98898	1.4
76.02227	1.1
78.36516	0.5
79.05499	3.9
81.07058	3.8
83.04978	6.6
87.04443	0.6
89.02431	0.7
91.05482	14.9
93.07051	3.3
95.08607	1.7
98.98489	2.2
99.04449	0.8
101.06007	5.4
103.03268	1.4
105.07034	9.6
107.08636	1.3
111.04457	5.3
113.06017	0.7
114.05529	1.5
115.05463	1.4
115.39736	0.5
116.06245	1.4
117.07016	15.5
119.08572	4.6
127.07569	0.9
129.05492	5.3
129.07001	6.3
129.34125	0.5
130.07799	2.4
131.08566	100.0
132.06564	0.6
132.08931	2.3
133.10114	0.5
143.08537	4.1
144.09328	2.6
145.06494	0.8
145.07603	0.7
145.10114	20.2
155.07016	5.1
158.07318	1.3
158.10919	5.5
171.11710	1.4
173.05927	0.8
173.08215	10.9
173.09697	2.2
173.13261	95.4
174.05460	0.6
174.07639	2.0
174.13751	2.6
187.22414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44906	0.7
52.10406	0.6
55.01860	0.9
55.05500	2.3
56.05026	1.6
56.05801	0.7
56.96566	5.9
57.03427	3.0
58.06599	14.9
59.04984	1.3
59.06110	2.3
59.07380	8.7
60.04532	4.0
60.05632	3.0
60.08164	39.9
61.02929	0.7
61.07121	0.6
67.05503	0.7
68.05021	0.9
69.03408	2.5
69.07070	8.4
70.06595	7.0
70.77576	1.4
70.77900	0.7
70.95870	7.4
72.04499	1.0
72.08150	1.0
72.93794	7.6
73.06547	3.7
73.93834	1.0
74.06068	0.9
75.05592	1.1
83.04965	1.0
83.06093	1.2
84.04477	1.5
84.05287	0.7
84.08130	2.8
85.02932	3.3
85.03989	1.1
86.06055	1.6
87.05585	3.6
88.04002	0.9
88.96909	2.4
90.94833	3.5
91.05475	1.1
92.27033	0.7
96.04477	1.2
97.02912	3.2
97.06545	1.4
98.06054	0.9
98.97596	2.2
98.98469	7.2
99.05577	1.2
101.05995	0.8
102.05549	1.1
105.07035	1.1
107.43101	0.7
108.95879	0.9
109.06430	0.6
110.05996	0.7
111.04430	1.6
111.05582	0.7
111.53649	1.6
111.98470	7.9
112.04767	0.6
112.07599	2.0
113.96400	2.7
113.98621	1.0
114.05528	3.2
115.03942	1.6
115.07538	1.2
115.08716	0.9
116.07059	2.9
116.98622	2.3
118.06554	1.9
119.08554	1.1
126.06625	1.8
127.04929	0.7
127.57164	1.0
128.07123	1.5
128.10739	0.9
129.99522	4.5
130.08630	2.7
131.97421	2.7
131.99713	4.1
132.08080	1.1
132.95837	11.1
134.99640	0.7
146.06023	4.2
146.08138	2.3
146.69063	0.7
147.04425	0.8
149.96104	0.8
149.98505	1.6
150.00757	3.5
150.96896	28.8
155.97403	7.9
156.07571	1.3
156.10167	0.8
158.09335	0.9
167.97176	0.8
168.97852	1.8
173.97139	1.0
173.98508	11.3
174.05556	2.6
174.07651	3.6
174.12743	4.0
174.14896	100.0
175.04086	0.7
175.07364	1.7
175.08737	1.0
175.11978	0.9
175.15134	3.0
186.04358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-arginine
Peak:m/z	Relative Intensity
57.03429	0.6
60.05648	40.6
67.69547	0.4
69.03429	0.5
69.96291	2.3
70.06591	100.0
71.05000	2.3
71.06922	1.0
72.08152	5.4
84.08139	4.3
85.02933	0.6
85.06561	0.5
88.07632	1.3
97.02872	0.5
97.07627	0.7
98.06085	1.3
98.98471	1.7
101.00909	0.5
102.09210	0.6
112.07590	4.2
112.08728	4.0
114.10270	0.8
115.05843	0.6
115.08698	1.1
116.07088	32.5
119.01935	2.4
130.08662	2.2
130.09740	14.4
130.12308	0.6
132.02115	11.6
133.03441	0.7
137.02905	0.6
144.13799	0.9
157.10838	1.8
158.09239	10.0
175.04427	0.7
175.11913	37.2
176.01122	2.8
176.07100	0.5
176.10394	0.8
176.12253	0.5
176.16449	0.8
189.52779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.8
55.05505	3.2
55.53288	0.8
56.05843	0.9
56.96571	5.0
57.07076	100.0
59.99113	33.5
59.99425	1.3
61.02923	1.3
67.05503	1.8
73.02910	1.3
73.04842	0.8
79.42968	0.8
80.32787	0.8
83.04978	3.4
84.08123	1.1
85.02909	1.2
90.94845	0.8
98.06066	1.4
98.20686	1.8
98.97590	2.8
101.00748	1.1
101.06023	2.7
109.10162	1.5
110.01273	3.1
111.04446	3.0
112.07581	1.1
116.04555	1.5
116.05320	22.7
116.48213	0.9
116.98610	1.7
117.07040	0.8
119.01791	4.0
121.52039	1.5
124.79075	0.9
126.05511	1.3
126.09135	1.1
127.03793	1.0
128.02307	4.6
128.98444	0.9
129.05463	2.5
130.52592	3.3
131.08571	1.8
134.99660	0.9
135.88412	0.7
137.02850	2.2
139.53104	4.7
148.50456	0.8
148.53561	1.4
151.03862	1.2
155.07042	2.9
158.10925	1.0
172.07558	0.9
172.09698	2.2
172.11368	2.5
172.15529	1.2
172.16965	3.2
173.06032	0.8
173.08180	5.9
173.11845	0.9
173.13243	3.8
175.59967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	3,7-Dimethyl-2,6-octadiene-1,4-diol
Peak:m/z	Relative Intensity
53.03934	1.5
55.01852	0.9
55.05511	36.7
56.05032	0.6
56.96562	3.7
57.03432	2.2
57.07064	1.2
59.05002	0.6
59.81400	0.5
61.02909	0.6
61.92028	0.4
61.97072	0.4
64.36124	0.4
67.05499	2.0
69.03425	1.3
69.07066	3.7
69.64942	2.3
69.65367	0.9
70.06570	0.4
71.04961	1.3
72.04513	11.5
73.02906	1.1
79.05499	1.5
79.75312	0.4
81.03389	0.5
81.07063	2.3
83.04980	100.0
83.08627	4.4
84.04524	0.7
84.05322	0.9
84.08156	0.5
85.02902	2.0
85.06533	0.9
89.00836	0.4
89.07154	9.3
91.05479	0.7
93.07042	1.5
95.04939	0.5
95.08598	1.1
96.01552	0.4
97.02877	0.9
97.06528	2.0
97.10180	0.7
98.01263	0.5
98.06085	0.6
98.97581	1.2
107.04938	0.5
107.08604	2.4
109.10159	1.8
110.01285	3.0
111.04461	1.9
111.08094	2.1
111.09258	0.7
112.07615	0.5
113.77243	0.4
115.05471	0.6
116.98595	1.0
118.52572	0.6
119.01791	4.3
121.52081	1.5
125.06013	1.4
125.09659	0.7
126.09211	0.5
127.03934	0.9
128.02306	3.9
128.06198	2.2
128.98561	0.6
129.07002	0.9
130.52579	2.1
134.99651	1.1
135.11684	1.1
137.02861	1.5
139.03934	1.3
139.53114	2.4
141.06940	0.7
142.07791	0.8
143.08542	2.6
148.53621	0.6
153.05554	0.5
153.07230	0.6
153.09177	0.9
153.12738	17.9
155.08627	0.6
156.09354	4.3
158.01299	0.6
171.02939	1.3
171.04327	0.5
171.05585	1.9
171.08070	1.8
171.10049	1.3
171.11726	5.6
171.14912	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	170.154
Annotation	Nitramine
Peak:m/z	Relative Intensity
55.01870	3.8
55.05509	18.2
55.17099	0.6
55.93534	0.9
56.96568	2.0
57.03440	3.1
57.07076	21.2
58.06594	2.3
59.05009	1.4
65.46783	0.6
67.05505	8.1
69.03429	1.8
69.07068	100.0
70.06590	2.4
70.07416	1.3
70.13090	3.0
71.04993	4.3
71.08633	12.2
72.04506	6.0
72.08159	11.2
79.05500	9.2
81.07057	23.7
82.06585	1.2
82.07374	1.1
83.04980	7.8
83.08616	19.5
84.04529	1.0
84.08150	1.2
85.06557	1.5
85.10186	1.7
86.06068	17.3
86.09696	2.0
89.07158	2.8
91.05475	1.7
92.05022	1.1
93.05804	1.9
93.07043	20.0
95.08606	21.9
96.08132	1.7
97.06532	34.6
97.10165	3.7
98.09692	0.9
100.07616	29.5
107.08594	24.7
108.08894	0.9
109.10150	12.0
109.10835	1.1
110.06033	2.1
110.10465	0.9
111.04491	0.9
111.08083	13.9
111.11719	24.3
112.11240	1.5
114.09167	33.2
115.05462	0.7
124.07591	2.8
125.09630	0.9
125.13271	2.2
128.07076	0.8
128.10742	4.0
128.14354	5.7
128.95082	1.9
129.07005	1.2
135.11694	56.0
136.12016	1.6
142.08618	1.9
143.08551	1.2
146.96123	2.7
147.07436	0.8
152.07034	3.1
152.14343	1.4
153.12746	53.6
154.13034	1.8
156.09349	1.4
158.58279	0.9
170.05916	1.9
170.08105	5.7
170.09644	7.6
170.15401	60.3
171.08031	0.8
171.11670	1.9
171.14961	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03941	2.1
54.03473	1.2
55.01865	3.6
55.03017	1.3
55.05306	1.0
55.05514	11.4
56.05019	3.9
56.96569	8.5
57.03417	3.3
57.07066	2.6
58.06590	3.5
59.05013	5.7
59.06120	9.7
60.04514	1.1
65.03944	10.3
67.05505	13.8
68.05024	4.7
68.99783	4.6
69.03440	5.3
69.04546	2.2
69.07071	20.3
70.06596	10.0
71.01333	1.3
71.04989	5.9
71.06919	2.9
71.07317	1.0
71.57124	1.1
71.57567	1.6
72.04494	1.2
72.08157	7.1
79.05486	7.4
80.05009	2.3
81.03420	14.0
81.04552	1.7
81.07059	23.7
82.06566	3.3
83.04978	7.8
83.06088	8.2
83.08608	2.0
84.04481	1.6
84.08143	10.2
85.02895	5.2
85.04024	2.8
85.06525	4.0
85.07659	4.6
86.06052	1.6
86.08446	3.9
91.05469	4.6
93.02890	1.6
93.03407	2.2
93.05803	1.7
93.07043	9.5
94.06559	4.3
95.01318	2.0
95.04971	7.9
95.06026	2.4
95.08606	14.0
96.04527	1.5
96.06892	1.8
96.08140	2.3
97.02883	2.3
97.06542	4.0
97.07645	4.8
98.03663	4.4
98.07169	4.0
99.04462	4.3
99.05589	2.6
99.08075	2.3
99.09265	1.4
102.03377	1.6
103.95621	1.8
105.07014	6.7
107.04916	1.0
107.06087	1.2
107.08591	10.6
109.02883	32.4
109.06519	9.4
109.07635	11.2
109.10156	13.0
110.03651	3.3
110.06027	3.8
110.07171	5.9
110.08442	1.2
111.00800	19.6
111.02029	1.1
111.04460	29.1
111.05579	3.7
111.08090	8.1
111.09202	33.3
112.04980	1.0
112.08729	1.8
112.09531	1.2
113.05987	3.9
113.07133	2.5
115.04120	1.4
121.10188	1.4
123.00778	3.4
123.04426	8.4
123.05270	1.2
123.08057	9.1
123.09146	1.6
123.11709	11.8
124.04654	5.2
124.07607	3.6
124.08682	4.9
125.05992	8.9
125.06976	1.6
125.09679	7.0
125.10542	1.5
126.03142	32.8
126.06615	2.4
126.10240	5.9
127.03957	5.1
127.07516	1.9
127.11137	2.8
128.07147	1.3
128.08124	1.1
128.95071	2.8
133.02844	2.8
133.05161	3.5
133.10135	4.0
134.06061	1.7
134.07169	1.3
135.05559	2.0
137.02344	1.5
139.06335	1.3
141.05463	100.0
141.09091	1.8
142.05804	2.3
142.08627	1.4
145.03476	2.1
146.04184	2.0
146.96111	7.8
151.03915	10.8
151.06232	0.9
151.07523	4.2
151.08649	2.5
151.09862	2.4
151.11130	9.8
152.04439	1.4
152.07063	4.1
152.08208	6.8
152.11832	4.7
154.02585	5.1
155.04660	1.4
163.02852	1.5
163.97690	2.2
164.25636	1.1
165.40755	1.3
169.04971	51.1
169.07413	9.3
169.08676	2.1
169.09811	3.2
169.10849	6.2
169.12250	4.6
169.14458	6.4
169.17009	2.6
170.05818	1.0
170.08138	3.2
170.09583	4.4
181.03720	1.3
181.98790	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03979	1.0
54.03510	0.4
54.11912	0.3
55.01914	1.0
55.05549	0.9
56.05034	1.8
56.96563	2.2
57.03477	0.6
58.06623	1.6
59.06163	1.0
60.04548	0.4
65.03973	1.0
67.05498	1.9
67.92552	0.7
67.93595	0.5
68.05025	2.0
68.99397	0.4
68.99815	0.7
69.03439	2.6
69.04581	0.6
69.07068	2.8
70.06579	6.0
71.01387	0.5
71.05022	0.9
72.04155	0.3
72.04541	0.8
72.08195	1.0
79.05492	1.8
80.05036	2.3
81.03426	3.9
81.04581	0.8
81.07054	1.7
82.06584	2.4
82.94874	0.8
83.05022	1.2
83.06094	2.3
84.04515	1.7
84.08184	1.4
85.02927	0.8
85.04068	0.6
85.07690	0.9
86.06104	1.2
91.05478	3.4
92.05001	8.4
93.04533	0.5
93.07096	0.5
94.06567	3.9
95.01349	0.9
95.04981	1.8
95.06100	2.1
95.08641	0.6
96.04533	0.8
96.08161	0.8
97.02925	0.5
97.06520	0.8
97.07652	2.6
98.06069	2.1
98.97612	0.6
99.04457	1.1
99.05584	0.9
99.09267	0.5
100.04005	0.5
100.95912	0.3
102.94896	0.8
106.06573	0.8
107.04974	0.8
107.06104	0.7
107.08635	0.6
108.04476	3.9
108.05151	0.4
108.08160	0.7
109.02877	7.6
109.03557	0.6
109.05280	0.4
109.06553	0.6
109.06801	0.4
109.07632	6.6
109.08334	0.5
109.10191	0.8
110.06073	1.8
110.07205	1.0
110.08477	0.6
110.14919	0.4
111.00837	1.9
111.04459	3.8
111.05605	1.0
111.09192	2.5
112.03992	0.4
112.07612	1.2
113.07146	0.6
115.00789	0.3
119.04964	1.6
120.08130	0.8
121.01690	1.1
121.03020	0.4
121.07655	0.4
122.02020	0.4
122.06053	3.0
122.07089	0.6
123.00878	0.5
123.04399	2.1
123.05660	0.4
123.06535	0.4
123.08279	0.4
123.09177	1.9
123.11713	0.3
123.97453	0.8
124.03933	0.5
124.04707	0.4
124.07622	1.7
124.08747	0.7
125.04607	1.0
125.06007	1.1
125.07143	1.8
125.96452	0.4
126.03155	2.9
126.05513	7.4
126.06532	0.5
126.10287	1.3
126.12815	0.7
127.03920	2.8
127.08696	0.8
128.07152	0.4
128.09509	0.6
133.02870	0.6
133.07620	0.4
134.05998	0.5
134.99673	0.6
136.03954	1.1
137.05972	0.4
138.10272	0.8
139.02711	0.5
140.03366	0.5
140.05649	0.7
140.07071	3.1
140.08008	0.5
140.95151	0.7
141.05479	8.2
141.06528	0.4
141.10220	0.4
143.97496	0.9
144.95865	1.2
144.98260	0.8
145.03555	0.7
150.05513	9.5
150.06567	0.5
150.09108	0.8
150.10236	1.1
151.03925	2.3
151.06157	0.6
151.07535	7.9
151.08667	2.9
152.07018	0.9
154.04985	100.0
155.05377	2.5
156.03360	0.4
159.09650	0.6
162.95752	0.4
162.96939	1.1
162.99200	0.6
163.97696	0.5
167.01686	0.6
168.02821	0.7
168.06544	23.0
168.07744	1.1
168.10143	1.9
168.11357	4.4
168.13748	1.3
169.04964	4.2
169.09766	0.7
169.12187	0.4
174.04341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0658
Annotation	3-Hydroxy-4-methylanthranilate
Peak:m/z	Relative Intensity
53.03920	5.5
55.01856	7.4
55.05508	8.6
56.05040	8.8
56.96566	37.8
57.03428	1.9
58.06603	13.8
59.06103	3.3
60.04519	4.4
60.95863	1.6
61.02917	2.5
65.03941	11.0
67.05508	10.0
67.93556	3.1
68.05025	11.5
68.99774	4.2
69.03437	14.6
69.04521	3.8
69.07069	8.6
70.06591	22.7
70.34704	6.9
71.04977	4.4
71.06109	2.2
72.04498	5.2
72.08150	4.6
72.93777	2.6
73.02905	4.1
79.05499	17.9
80.05022	10.6
81.03415	20.8
81.04523	5.0
81.07062	12.5
82.02959	2.0
82.05312	2.7
82.06585	10.3
82.94831	5.0
83.04954	6.4
83.06107	12.5
84.04498	10.2
84.08140	11.4
84.96032	3.1
85.02882	7.2
85.04018	2.5
85.07638	5.8
85.19559	1.9
85.94610	1.9
86.06044	6.8
86.08433	2.2
87.04426	1.9
89.06006	4.3
90.94819	2.2
91.00525	10.1
91.05488	14.7
92.05014	10.4
93.03404	2.5
93.07037	3.8
94.06569	24.9
94.07150	2.6
94.07386	1.9
95.04975	17.8
95.06094	11.9
95.08602	3.7
96.04482	3.6
96.08103	2.7
96.18819	1.7
97.02864	7.0
97.06494	2.9
97.07655	14.0
98.06053	10.8
98.08414	1.9
98.97572	4.0
99.04446	8.2
99.05543	4.3
99.09206	2.2
100.01019	5.4
100.07595	2.0
102.94836	2.5
103.00542	1.8
104.04944	3.2
105.03414	1.9
105.07037	5.1
106.01100	2.0
106.06526	6.7
106.84769	1.7
107.04944	7.3
107.08574	3.8
108.04485	13.4
108.08133	3.4
108.08878	1.7
109.02879	44.6
109.06478	3.6
109.07645	38.0
109.10126	3.6
110.03667	2.5
110.06048	9.5
110.07213	8.0
110.08447	2.7
111.00822	8.5
111.04466	14.2
111.05548	5.0
111.09254	11.6
112.01035	24.6
112.03878	2.4
112.07581	6.9
112.09489	2.4
113.02350	4.2
113.05972	1.8
113.07140	4.3
116.98615	4.2
118.94284	1.8
119.00179	2.1
119.01871	7.6
119.04920	7.6
121.01566	55.9
121.02856	2.2
121.06475	4.5
121.07582	2.4
121.51678	4.2
122.01974	4.1
122.03610	3.0
122.06039	30.7
122.06943	2.8
122.09614	2.1
122.10408	2.2
123.00785	2.6
123.03725	2.4
123.04406	22.2
123.05534	4.8
123.06685	1.9
123.08044	6.6
123.09158	9.8
123.51801	3.3
123.97443	4.3
124.03899	2.5
124.07565	11.3
124.08541	2.3
125.02345	2.6
125.05961	6.3
125.07093	10.7
126.00719	5.2
126.03138	13.5
126.05526	42.5
126.06458	2.7
126.10252	6.8
126.93752	2.4
127.01575	1.9
127.03950	17.1
127.08653	4.5
128.09410	2.5
128.98599	2.8
132.04402	2.6
132.52321	4.8
133.02817	17.2
133.06541	3.1
133.07567	2.4
134.06012	3.5
134.99663	4.6
136.05180	1.9
137.05927	3.5
138.05469	2.4
138.06525	2.4
138.10243	4.7
139.02673	7.9
139.03889	6.6
139.06255	2.8
140.03299	5.5
140.04469	2.2
140.05977	2.1
140.07040	12.4
140.08099	3.0
140.11798	2.0
140.95128	3.1
141.05478	38.7
141.06564	3.7
141.10188	4.1
143.97430	2.7
144.03220	5.0
144.95828	4.4
144.98152	6.8
145.01732	2.1
145.03551	13.0
146.99611	2.9
147.01285	4.3
150.03006	3.0
150.05510	95.9
150.06573	3.7
150.09087	6.5
150.10216	8.0
151.03918	20.9
151.04985	3.6
151.06096	4.7
151.07509	33.3
151.08647	16.2
152.07034	8.1
152.08119	2.4
154.02748	3.7
154.04993	100.0
161.02928	2.7
162.04326	2.8
162.95752	2.4
162.96913	5.0
162.99155	10.8
163.04597	6.0
168.02762	4.1
168.05383	4.1
168.06538	87.1
168.09906	11.1
168.11388	30.0
168.13725	5.1
169.04942	24.7
169.09743	5.0
169.14572	2.4
174.04347	4.5
181.00114	5.5
185.04877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	1.7
53.69503	0.6
55.01894	0.7
55.05543	1.0
56.05078	1.9
56.96606	2.1
57.49282	0.5
58.06642	1.4
60.04552	0.6
65.03952	1.3
67.05533	1.6
68.05058	2.6
68.99805	0.6
69.03426	3.6
69.07086	1.5
70.06599	3.4
70.50944	2.0
71.05030	0.6
72.04557	1.2
72.08173	0.8
79.05533	2.2
80.05058	2.6
81.03414	3.7
81.07101	1.4
82.06621	2.6
83.05002	1.5
83.06131	2.0
84.04556	2.6
84.08193	1.7
84.93830	0.9
85.02946	1.5
86.06093	1.3
86.08521	0.6
89.06048	0.7
91.05478	7.9
92.05005	8.9
92.05521	0.7
94.06563	3.4
95.01356	0.7
95.05005	2.6
95.06126	2.3
95.08638	0.9
96.04543	0.9
96.08186	1.4
97.02934	0.8
97.07684	2.2
98.06051	2.8
98.15963	0.6
99.04480	1.1
105.02067	0.6
105.07047	1.2
106.06572	1.3
108.02381	0.6
108.04476	5.1
108.08112	1.2
109.02883	8.6
109.06504	0.6
109.07630	4.8
110.06084	2.8
110.07211	0.9
110.08472	0.7
111.00846	1.4
111.04475	2.4
111.05595	1.0
111.09251	1.8
112.07658	1.8
115.04135	0.7
119.04947	5.7
120.41212	0.6
121.01689	1.2
121.07640	0.9
122.06044	3.7
122.07114	0.9
122.10490	0.7
123.04452	2.6
123.09197	0.8
123.97417	0.8
124.07607	3.3
125.04644	1.1
125.05968	0.7
125.07127	1.3
126.03155	2.4
126.05507	12.2
127.03921	2.9
127.08750	0.9
133.02818	1.1
133.07658	0.7
134.02322	0.9
136.03973	1.0
136.05225	1.1
136.07527	0.6
137.06004	0.9
139.03865	0.6
140.07062	2.7
141.05475	6.7
141.10286	0.8
144.95834	1.5
144.98219	0.6
150.05495	10.7
150.06630	1.0
150.09123	1.3
150.10257	1.1
151.03906	2.0
151.06244	1.0
151.06622	0.4
151.07545	25.3
151.08682	6.7
154.04988	100.0
155.05333	2.1
156.03377	1.6
162.95775	0.7
162.96977	0.6
163.97717	0.8
168.02925	1.1
168.06541	21.7
168.10143	1.9
168.11403	3.2
168.13747	1.0
169.04926	4.0
169.09760	2.1
174.04358	5.8
186.04384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01868	9.0
55.05513	82.3
55.73481	1.8
56.05031	7.6
56.05813	2.2
56.96561	3.5
57.03428	6.3
57.07070	6.4
59.05006	15.3
59.06123	10.4
61.15797	2.0
65.03939	4.3
67.05220	2.3
67.05509	24.6
67.93565	2.2
68.05024	8.6
69.03077	2.6
69.03429	27.7
69.07069	18.7
70.06586	8.9
71.04978	6.7
71.07349	2.4
71.28979	2.7
71.29301	3.1
72.08143	6.3
73.02944	2.2
78.04704	3.9
79.05054	4.5
79.05488	41.7
80.05012	4.2
80.44477	2.2
81.03407	6.8
81.04540	6.4
81.07062	35.4
82.06578	9.0
83.04986	99.8
83.06073	15.0
83.08630	39.2
84.08137	9.1
84.96011	3.4
85.06557	12.5
85.07638	4.5
91.05482	19.5
93.07047	59.0
94.06562	6.4
95.04954	12.1
95.06081	3.4
95.08607	22.3
97.02900	5.2
97.06541	18.1
97.07627	10.3
97.10167	9.8
98.06041	3.7
98.07234	2.3
98.21365	2.2
99.04440	4.6
99.09190	3.1
105.07037	22.3
107.04958	14.0
107.08595	85.2
108.04495	4.7
108.05605	3.3
108.08963	4.0
109.02866	6.2
109.06518	37.3
109.07647	28.7
109.10163	25.1
110.06046	2.4
110.07188	4.7
110.08453	13.7
110.20966	2.0
111.04455	10.8
111.08088	33.7
111.09216	21.0
112.08843	7.4
113.09660	2.1
119.08572	3.8
121.01678	21.9
121.02866	7.3
121.06522	17.7
121.08454	4.6
121.10144	100.0
122.06026	2.8
122.07148	13.1
122.10516	2.7
123.04453	6.5
123.08073	18.0
123.09180	6.1
123.11681	14.1
124.03975	2.6
124.05093	3.3
124.08751	10.2
125.05988	10.5
125.08246	8.8
125.09631	26.0
126.05520	2.7
126.06573	2.7
127.07451	3.6
131.08548	8.0
133.07578	2.4
138.10272	3.0
139.02704	14.7
139.03755	4.4
139.07520	6.7
139.11137	11.6
140.07072	6.6
144.03217	20.1
149.02318	12.2
149.05965	6.4
149.09628	33.4
149.13284	8.0
150.05472	8.2
150.06635	5.7
150.10234	32.4
162.04311	9.4
167.03470	11.1
167.05611	3.1
167.07025	37.4
167.09219	6.5
167.10667	47.3
167.13023	9.5
167.14339	49.8
168.06552	9.2
168.10144	3.5
168.11375	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.85799	0.4
53.03932	0.5
55.01871	0.6
55.05501	1.7
56.96543	1.1
57.03450	0.5
65.03923	0.7
66.04731	0.6
67.05503	2.0
68.99747	0.4
69.03426	0.8
69.07070	1.1
70.06581	0.4
70.60151	0.4
70.60499	1.5
71.04988	0.5
71.37669	0.3
78.04713	9.8
79.05486	4.2
81.03454	0.6
81.07055	2.5
83.04992	2.3
83.08618	1.0
84.96016	3.0
90.85648	0.4
91.05502	2.1
93.03432	0.7
93.07050	4.7
94.04198	0.7
95.04974	3.0
95.08591	1.3
96.05729	0.6
97.02911	0.5
97.06509	1.8
97.07625	0.4
102.97072	0.5
103.00633	0.8
105.03390	0.9
105.07011	1.3
105.23949	0.3
106.04159	3.8
107.04961	2.4
107.08589	3.9
108.06788	0.4
109.02896	2.3
109.06538	3.0
109.10116	0.4
111.04463	0.9
111.08042	0.9
120.01981	0.5
120.33091	0.4
121.01668	9.0
121.02956	0.5
121.06488	1.5
121.10153	4.4
122.03662	0.9
122.51438	0.4
123.04438	18.8
123.08045	0.9
124.05238	6.5
125.05998	1.1
125.09645	1.0
131.08574	1.0
134.03609	0.8
135.04407	1.0
137.05974	1.1
138.03090	0.5
139.02701	4.4
139.07526	1.8
139.11244	0.5
140.95070	0.5
144.03230	6.8
144.04132	0.6
149.02342	1.9
149.09625	2.2
149.13274	0.6
150.09117	0.7
151.03909	4.6
152.04669	3.2
152.05911	0.7
155.09180	0.4
159.31320	0.4
162.04263	3.3
165.07072	0.5
167.03348	1.8
167.04750	2.4
167.07043	100.0
167.10652	4.3
167.14305	1.3
168.07515	2.1
168.10190	0.5
185.05896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02373	0.3
53.03933	0.6
55.01859	0.6
55.05515	0.4
59.94340	0.2
65.03940	0.3
66.04721	0.5
67.05498	0.4
69.03419	0.5
69.07054	0.3
69.78190	1.0
69.78615	0.6
78.04263	0.5
78.04718	10.9
79.05489	3.0
81.03410	0.7
81.06633	0.2
81.07052	1.3
83.04988	0.7
84.96037	0.9
85.02957	0.3
91.05480	1.0
93.03409	0.4
93.07043	1.5
94.04154	0.6
95.04979	1.7
96.05742	0.7
97.02896	0.3
97.06561	0.4
105.03370	0.8
106.04192	4.1
107.05001	1.7
107.08588	1.1
109.02863	1.2
109.06541	0.6
111.04454	0.6
111.08112	0.4
120.02087	0.3
121.01682	1.7
121.02908	0.4
121.06503	0.3
121.10146	1.1
122.03660	1.0
123.04435	19.9
124.05234	6.1
125.06039	0.4
125.08266	0.3
125.09627	0.3
134.03621	1.2
135.04443	0.6
137.02368	0.5
137.05986	0.9
138.03143	0.4
139.02725	0.9
139.07527	0.7
144.03224	1.8
149.02333	0.7
149.05952	0.3
149.07167	0.3
149.09616	0.7
150.09148	0.5
151.03908	4.2
152.04697	4.6
162.04324	1.0
167.07050	100.0
168.04201	0.5
168.07423	2.7
185.78577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
53.17297	1.6
54.03470	3.1
55.01860	6.4
55.05510	100.0
56.05037	10.6
56.96553	4.7
57.03423	6.5
57.07065	5.0
58.06591	5.9
59.05002	16.6
59.06120	17.8
65.03928	6.6
66.03432	1.9
67.05508	24.9
68.05025	13.4
69.03426	29.7
69.04541	4.7
69.07072	22.9
70.06596	29.9
71.04987	8.6
71.06098	2.5
71.07363	2.8
71.59032	2.5
72.08158	8.4
78.04684	2.4
79.05063	2.6
79.05493	30.5
80.05011	5.5
80.05839	2.1
80.19244	1.5
81.03414	6.1
81.04547	9.3
81.05851	2.1
81.07056	35.9
82.06177	2.1
82.06590	20.7
83.04984	96.9
83.06075	18.5
83.08620	50.3
84.04523	3.7
84.05648	1.7
84.08141	14.4
84.96025	6.0
85.02879	2.5
85.04005	2.0
85.06548	13.0
85.07675	13.2
87.09270	1.7
91.05477	18.7
93.07043	54.9
94.06562	11.0
94.07167	2.3
95.04972	12.9
95.06068	10.5
95.08612	22.6
96.04520	1.8
96.05611	2.8
96.08128	2.8
97.02866	3.0
97.06544	15.7
97.07657	13.6
97.10171	12.2
98.06055	3.4
98.07149	5.2
98.08475	2.8
98.09686	7.0
99.05573	2.1
99.08075	3.5
99.09198	5.1
102.94870	3.7
103.00646	2.7
103.05424	2.6
105.04457	2.6
105.07025	15.5
107.04981	9.6
107.06057	5.8
107.08595	58.8
108.05646	3.4
108.08884	1.7
109.02883	8.8
109.06527	17.5
109.07642	55.4
109.10159	28.8
110.06034	5.1
110.07244	7.8
110.08456	18.6
111.04445	8.8
111.05584	3.3
111.08063	37.6
111.09196	40.4
112.07560	1.8
112.08868	8.0
113.09615	5.1
119.08562	2.7
121.01664	26.9
121.02460	2.1
121.02940	3.0
121.06490	16.0
121.07657	3.0
121.08443	4.3
121.10140	77.0
122.06016	4.9
122.07129	18.2
123.04432	6.3
123.05540	4.6
123.08128	12.6
123.09127	12.0
123.11724	15.5
124.08706	18.2
125.05973	8.6
125.07090	5.4
125.08231	8.4
125.09644	21.9
126.05524	4.1
126.06618	4.0
126.10242	5.1
127.03933	3.0
127.07409	5.1
127.11043	3.4
131.08553	7.6
135.04437	2.2
137.08197	4.5
138.03073	1.9
138.10236	4.5
139.02708	16.4
139.03836	3.7
139.07555	7.4
139.08597	2.7
139.11169	9.7
140.07043	5.5
140.08115	3.5
140.11813	3.4
144.03224	22.2
149.02374	9.8
149.06023	3.6
149.08205	5.3
149.09605	27.2
149.13243	6.8
150.05464	8.0
150.06602	7.7
150.10262	67.5
151.03882	4.3
151.08621	2.7
152.04637	3.3
162.04268	12.3
167.03461	12.2
167.04843	2.5
167.05435	6.0
167.07045	31.8
167.09258	14.6
167.10670	31.2
167.12927	19.1
167.14320	51.6
168.06465	10.5
168.10069	2.5
168.11299	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	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.76140	0.2
55.48072	0.2
70.39000	0.6
79.05500	1.4
91.05492	0.7
93.07039	2.0
95.04984	0.2
103.05466	9.9
104.05814	0.3
107.04967	1.8
114.78716	0.2
120.08105	100.0
121.08457	1.8
128.04669	0.2
131.04921	2.2
149.06010	0.6
166.08638	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03948	2.3
55.01863	1.6
55.05511	5.4
56.05025	1.6
57.03416	3.8
57.07079	4.5
58.06588	0.9
59.04984	2.5
61.77953	0.9
65.03930	2.3
67.05172	1.6
67.05504	22.9
67.66378	0.9
68.05029	0.9
69.03421	7.3
69.07069	8.6
69.71094	3.7
69.71525	3.6
70.06583	1.4
70.69849	0.9
71.04971	1.5
77.03915	1.4
79.05491	12.1
81.03412	3.6
81.04528	1.1
81.06586	1.4
81.07056	26.7
82.06577	2.5
83.04971	3.3
83.06103	2.0
83.08589	2.9
85.07650	1.2
91.05476	19.6
92.05827	1.1
93.07040	9.6
94.07367	1.1
95.04970	40.5
95.08608	26.7
97.06512	1.1
97.07632	1.6
98.21528	1.8
100.90572	1.0
101.00854	5.1
105.07033	17.2
107.04980	5.2
107.06039	2.7
107.08596	47.4
109.06513	20.9
109.07627	1.7
109.10165	4.5
110.07259	2.8
110.09685	1.3
111.09188	1.5
117.07018	3.0
119.01922	28.5
119.04939	15.1
119.05851	1.4
119.06107	1.2
119.08582	38.3
120.08102	6.8
120.08862	1.6
121.06466	2.4
121.10134	11.2
122.07175	3.7
123.04419	2.2
123.08070	34.6
123.11705	30.5
124.02467	1.3
124.08691	2.9
125.09483	1.3
129.07011	2.3
132.05710	3.3
133.02834	1.2
135.19315	1.0
137.02974	12.0
137.05949	4.2
137.09641	6.0
137.12376	1.7
137.13248	8.3
138.05499	2.0
142.03503	24.9
142.96695	1.6
143.03741	1.6
147.04410	36.0
147.08041	19.9
147.11697	11.8
148.07529	1.0
148.08679	3.0
160.04520	9.8
161.04707	1.0
165.01805	2.4
165.05388	3.8
165.07716	1.8
165.09116	13.1
165.11545	3.9
165.12753	100.0
166.05000	3.1
166.08565	2.4
166.13068	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	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.01861	0.3
55.05522	0.3
55.51094	0.2
56.05029	0.7
56.96572	0.2
58.06590	0.5
59.06116	0.5
61.05112	0.2
65.03944	0.9
67.05504	1.4
68.05018	0.9
69.03436	0.4
69.04578	0.3
70.06586	1.6
70.75806	0.8
73.04691	0.3
75.88485	0.2
79.05486	1.1
80.05019	0.6
81.03401	0.5
81.04533	1.0
81.07059	1.7
82.06588	0.8
83.04958	0.3
83.06103	1.9
85.07678	0.7
87.61111	0.2
91.05479	18.3
93.07037	0.9
95.04978	2.5
95.06097	0.7
95.08611	1.5
97.07668	1.0
97.23533	0.3
98.07181	0.4
101.00867	1.4
103.05487	0.5
105.07047	1.5
107.04971	0.4
107.06066	1.2
107.08591	0.8
109.02892	0.6
109.06528	1.2
109.07638	1.0
109.10133	1.3
111.07924	0.2
111.09195	0.3
117.07021	0.3
119.01038	0.4
119.01923	12.7
119.04939	40.0
119.08586	3.0
120.02024	0.5
120.05270	0.5
120.08096	1.0
121.06532	0.3
121.07628	0.6
121.10142	0.6
122.07169	1.8
123.04426	2.0
123.08084	1.5
123.11682	0.4
123.96433	0.3
124.08712	1.9
125.09500	1.0
131.04852	0.3
133.02846	0.7
136.08704	0.2
137.02957	6.4
137.05943	1.3
137.08008	0.4
137.09607	1.3
138.05544	0.4
138.06631	0.4
138.10266	0.9
141.30284	0.2
142.03500	10.1
142.96692	0.6
143.03694	0.3
147.04405	100.0
147.11685	0.8
148.04782	2.3
148.07552	0.5
148.08665	2.1
160.04556	4.7
165.01797	0.7
165.05490	3.5
165.07523	1.4
165.09116	3.9
165.11372	2.8
165.12743	1.5
165.29709	0.2
166.08588	0.3
169.91747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03950	0.9
54.03472	0.6
55.01864	0.8
55.05507	0.9
56.05034	1.9
56.96560	1.2
57.04559	0.4
58.06589	1.2
59.06116	1.3
65.03940	1.2
67.05515	2.3
68.05034	2.5
69.03429	1.1
69.04575	0.5
70.06595	2.3
71.04970	0.4
71.14390	0.6
78.51324	0.3
79.05486	2.1
80.05022	1.7
81.03415	1.6
81.04539	2.1
81.05782	0.3
81.07057	2.2
82.06598	2.0
83.04999	0.4
83.06105	4.9
83.91891	0.3
83.93044	0.4
85.02898	0.4
85.07696	1.8
86.08421	0.4
91.05486	22.8
92.05822	0.6
93.07050	1.7
94.06554	0.4
95.04962	2.8
95.06099	1.4
95.08635	1.5
96.05659	0.4
96.06905	0.5
97.06453	0.4
97.07659	2.1
98.07202	1.5
99.84206	0.3
101.00858	3.3
103.05492	0.6
105.07060	1.7
107.04949	0.7
107.06106	1.9
107.08594	1.0
108.05647	0.7
108.06847	0.6
109.02879	0.4
109.06532	1.3
109.07655	2.7
109.10157	1.4
110.07144	1.1
111.09180	1.3
118.03545	0.7
118.42826	0.3
119.01052	0.6
119.01930	29.1
119.04947	43.4
119.08594	4.1
120.02042	1.0
120.05347	1.0
120.08120	2.1
121.06498	0.9
121.07624	2.4
121.10120	0.8
122.07164	3.4
123.04430	3.1
123.05278	0.4
123.05584	0.4
123.08056	1.8
123.11726	0.5
123.96409	0.4
124.02467	0.8
124.08724	3.7
125.07037	0.4
125.09505	2.2
133.02885	0.5
133.06424	0.4
136.08752	0.5
137.02962	15.3
137.05936	2.0
137.09613	1.4
137.98366	0.7
138.03110	0.7
138.06639	0.6
138.10294	2.2
142.03506	24.0
142.96738	1.0
143.03651	1.3
147.04414	100.0
147.08080	1.4
147.11682	1.0
147.56030	0.3
148.04803	3.0
148.08676	4.2
160.04567	11.7
161.04784	0.3
165.01837	1.0
165.05481	5.3
165.07710	1.2
165.09111	3.8
165.11365	7.0
165.12750	2.0
166.04951	0.6
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	165.0547
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
52.84058	0.2
53.03937	0.3
53.59631	0.2
54.03465	0.4
55.01864	0.4
55.05519	1.2
56.05033	1.3
56.96570	0.6
57.03436	0.3
57.07056	0.2
58.06597	0.6
59.06130	0.4
63.02370	0.2
65.03926	1.0
67.03021	0.2
67.05502	1.7
67.42146	0.2
68.05019	1.9
69.03426	0.8
69.04550	0.4
69.07060	0.3
70.06590	1.9
70.62610	0.7
71.04993	0.4
75.14960	0.2
79.05495	1.6
80.05008	0.9
81.03409	0.7
81.04540	1.7
81.07055	2.2
82.05334	0.3
82.06583	1.2
83.04980	0.7
83.06103	3.3
85.02899	0.3
85.07676	0.8
86.08426	0.4
87.05621	0.2
91.05479	21.0
92.05823	0.5
93.07037	1.7
94.06577	0.3
95.04959	2.9
95.06058	0.9
95.08600	1.9
96.05624	0.2
97.06478	0.2
97.07658	1.1
98.07166	0.8
100.02487	0.4
101.00878	1.4
101.02567	0.6
103.05475	0.7
105.03384	0.3
105.07033	2.3
107.04942	0.5
107.06059	1.7
107.08593	1.5
108.05602	0.3
108.06847	0.3
109.02849	0.4
109.06522	1.6
109.07642	1.5
109.08297	0.3
109.10145	1.5
110.07182	0.6
111.09174	1.2
117.06998	0.4
118.03551	0.4
119.01922	16.2
119.04939	43.4
119.08575	4.4
120.02025	0.4
120.05216	1.0
120.08138	1.2
120.08884	0.3
121.06583	0.4
121.07632	1.2
121.10126	1.1
122.07172	2.8
123.04433	2.4
123.08070	2.7
123.11707	0.6
123.96456	0.2
124.02440	0.5
124.08704	2.0
125.09527	1.5
129.06937	0.2
133.02840	0.8
133.06519	0.3
136.08742	0.3
137.02965	9.6
137.04027	0.5
137.05974	2.2
137.09601	2.1
137.13239	0.3
138.02965	0.3
138.05551	0.4
138.06644	0.5
138.10255	1.3
142.03494	13.8
142.96718	0.6
143.03699	0.4
147.04405	100.0
147.08049	1.5
147.11665	1.2
148.04799	2.3
148.08675	2.3
160.04553	6.2
161.04686	0.4
165.01837	0.7
165.05466	3.7
165.06795	0.3
165.07607	1.4
165.09117	4.8
165.11360	4.3
165.12761	3.2
166.05006	0.6
172.00487	0.2
183.06131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17707	0.9
63.69646	0.9
68.38847	0.8
70.02921	0.8
71.17956	1.5
71.18295	1.1
82.99853	2.0
83.16185	0.8
100.02477	0.9
101.00873	15.7
119.01918	100.0
120.02055	3.1
120.08115	1.2
123.04354	0.9
124.02481	5.1
129.55603	0.8
133.12270	0.7
137.02956	38.9
138.03076	1.5
142.03499	93.6
143.03625	5.1
147.04399	5.5
160.04550	36.4
160.05917	1.1
161.04695	1.4
165.05069	3.9
165.07402	1.0
165.11366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
54.03472	0.6
55.01864	0.8
55.05507	0.9
56.05034	1.9
56.96560	1.2
57.04559	0.4
58.06589	1.2
59.06116	1.3
65.03940	1.2
67.05515	2.3
68.05034	2.5
69.03429	1.1
69.04575	0.5
70.06595	2.3
71.04970	0.4
71.14390	0.6
78.51324	0.3
79.05486	2.1
80.05022	1.7
81.03415	1.6
81.04539	2.1
81.05782	0.3
81.07057	2.2
82.06598	2.0
83.04999	0.4
83.06105	4.9
83.91891	0.3
83.93044	0.4
85.02898	0.4
85.07696	1.8
86.08421	0.4
91.05486	22.8
92.05822	0.6
93.07050	1.7
94.06554	0.4
95.04962	2.8
95.06099	1.4
95.08635	1.5
96.05659	0.4
96.06905	0.5
97.06453	0.4
97.07659	2.1
98.07202	1.5
99.84206	0.3
101.00858	3.3
103.05492	0.6
105.07060	1.7
107.04949	0.7
107.06106	1.9
107.08594	1.0
108.05647	0.7
108.06847	0.6
109.02879	0.4
109.06532	1.3
109.07655	2.7
109.10157	1.4
110.07144	1.1
111.09180	1.3
118.03545	0.7
118.42826	0.3
119.01052	0.6
119.01930	29.1
119.04947	43.4
119.08594	4.1
120.02042	1.0
120.05347	1.0
120.08120	2.1
121.06498	0.9
121.07624	2.4
121.10120	0.8
122.07164	3.4
123.04430	3.1
123.05278	0.4
123.05584	0.4
123.08056	1.8
123.11726	0.5
123.96409	0.4
124.02467	0.8
124.08724	3.7
125.07037	0.4
125.09505	2.2
133.02885	0.5
133.06424	0.4
136.08752	0.5
137.02962	15.3
137.05936	2.0
137.09613	1.4
137.98366	0.7
138.03110	0.7
138.06639	0.6
138.10294	2.2
142.03506	24.0
142.96738	1.0
143.03651	1.3
147.04414	100.0
147.08080	1.4
147.11682	1.0
147.56030	0.3
148.04803	3.0
148.08676	4.2
160.04567	11.7
161.04784	0.3
165.01837	1.0
165.05481	5.3
165.07710	1.2
165.09111	3.8
165.11365	7.0
165.12750	2.0
166.04951	0.6
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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03942	3.8
55.01870	9.6
55.05510	5.2
56.96551	3.0
57.03435	4.5
57.07063	3.0
61.02917	0.9
65.03930	1.5
67.05504	10.1
69.03427	3.7
69.07063	4.9
71.04977	1.9
71.59075	1.3
73.02901	1.7
77.03922	1.7
79.05492	28.3
80.04996	1.0
81.03432	4.6
81.04536	1.4
81.07055	12.6
82.01420	0.8
82.05302	1.1
83.04958	2.3
85.02888	1.4
89.03911	8.2
89.06026	2.2
91.05485	17.7
92.02606	1.6
93.07042	34.3
94.51547	0.7
95.04970	16.0
95.06075	2.0
95.08605	12.5
96.01548	0.9
96.06884	0.9
97.06527	1.2
97.07628	1.1
98.97580	1.5
100.02478	15.1
103.05466	70.7
104.05778	1.5
105.03407	3.3
105.04503	2.2
105.07030	18.2
106.07307	0.8
107.04951	17.3
107.06047	1.0
107.08595	31.2
108.05499	0.8
108.08926	0.8
109.06517	2.7
109.07597	0.8
110.01257	1.5
115.05486	2.6
116.06212	1.1
116.98649	1.1
117.03391	5.5
117.07014	20.7
117.07845	1.3
118.03518	14.1
119.01810	2.8
119.04949	2.5
119.06104	0.9
119.08572	9.7
120.05596	1.2
121.06512	10.0
121.10135	10.6
122.05978	0.9
122.07179	3.7
122.09693	1.2
123.04068	2.2
123.07987	2.4
127.03956	0.9
128.02327	3.3
128.06212	0.7
129.07024	1.0
130.06570	1.2
130.07774	5.3
131.04926	100.0
132.05266	3.8
132.08130	2.2
133.02850	12.4
133.06523	1.0
133.10121	2.8
134.07230	1.0
134.99602	1.1
135.04408	26.1
135.08066	6.9
135.11682	16.9
136.04768	0.9
136.07571	2.0
136.08670	1.8
138.03130	0.8
139.01828	0.8
139.53081	1.2
141.05096	1.5
143.08560	1.7
145.02837	5.9
145.03900	1.5
145.06480	5.5
145.10117	30.3
146.07112	1.3
146.10490	1.4
147.08057	1.1
148.08806	1.3
153.95010	0.7
158.99730	0.8
163.03906	85.6
163.07539	66.9
163.09807	5.5
163.11153	56.8
163.12277	2.4
163.14803	7.8
164.03175	1.1
164.04297	2.8
164.07031	3.5
164.10522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02372	1.1
53.03952	8.6
54.49474	0.7
55.01629	0.8
55.01874	14.2
55.05509	5.3
56.96553	1.7
57.03434	5.2
57.07067	2.2
58.72706	0.8
65.03938	1.2
67.05503	15.0
69.03435	5.2
69.07065	6.8
69.32092	5.0
69.32522	3.2
71.04980	2.4
77.03922	2.5
79.05495	46.5
81.03423	4.7
81.07061	15.1
82.01453	1.4
83.04973	3.1
89.03900	1.8
89.05984	1.1
91.05479	20.9
92.02619	3.0
93.07043	47.6
95.04971	23.7
95.08606	13.4
97.06518	1.4
97.39877	0.8
98.97576	0.9
100.02478	7.8
101.52069	0.8
103.05470	39.7
104.05743	0.9
105.03377	3.4
105.04523	3.8
105.07026	21.4
107.04956	38.9
107.08595	33.0
108.08893	0.9
109.06525	3.9
115.05441	2.9
116.06218	0.9
117.07018	27.9
118.03519	4.6
119.01816	1.9
119.04918	1.6
119.08588	15.0
121.06502	12.3
121.10146	10.3
128.02373	0.8
128.06195	0.9
129.07021	1.3
130.06770	1.0
130.07762	8.4
131.04927	51.9
132.05278	1.5
133.02849	21.3
133.10182	4.5
134.03159	1.0
134.07263	1.6
135.04422	25.4
135.08057	5.9
135.10664	1.7
135.11691	25.1
136.04739	1.1
136.12042	0.8
143.08563	2.1
145.03891	0.9
145.06535	0.8
145.10124	42.4
146.10434	0.9
163.03906	100.0
163.07542	35.0
163.11174	68.6
164.04315	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03932	3.9
53.64904	0.8
54.03458	1.1
55.01860	2.0
55.05504	5.3
57.03416	2.4
57.07057	3.1
65.03908	0.8
67.05492	1.9
69.03082	0.9
69.03431	12.5
69.07069	5.7
69.60217	3.2
69.60645	3.4
71.04987	2.2
77.03946	0.9
79.05492	17.1
80.04996	1.4
81.03388	1.5
81.04501	1.9
81.07056	18.7
82.05273	0.8
83.04958	3.4
83.06103	1.7
83.08614	0.9
85.02906	2.2
89.03924	4.9
89.06024	1.6
91.05481	18.6
92.02629	1.2
93.06483	1.7
93.07044	30.9
94.07302	0.9
95.04972	13.2
95.06062	3.2
95.08601	4.1
97.07644	1.8
98.20774	1.7
98.97546	0.8
99.04446	1.3
100.02464	4.8
102.26340	0.8
103.05454	7.1
105.03377	1.8
105.04506	2.1
105.07030	24.1
106.06570	1.5
107.04969	7.1
107.06078	1.5
107.08595	44.5
108.05614	1.4
108.08135	0.8
108.08868	0.8
109.06532	3.9
109.07592	1.2
115.05449	3.3
117.03338	3.7
117.05737	1.1
117.07019	13.4
118.03544	4.8
118.06541	1.6
119.04900	1.2
119.06064	1.7
119.08582	13.3
120.05616	3.0
121.06523	10.7
121.10142	38.2
122.07159	4.3
122.10439	1.1
123.07970	3.4
128.02330	1.0
128.06230	1.3
130.06467	1.2
130.07794	10.7
131.04930	11.3
132.08076	2.6
133.02855	6.8
133.06470	3.0
133.10101	2.3
135.04419	17.6
135.08052	6.6
135.10690	1.5
135.11693	22.7
136.07643	1.7
136.08696	3.7
143.08572	2.2
145.02835	3.6
145.03886	1.1
145.06445	4.5
145.10121	48.4
146.05988	1.3
146.07065	2.3
146.10487	2.1
147.08052	2.2
148.08815	2.3
149.04718	0.8
162.05482	1.4
163.03909	53.0
163.06166	2.0
163.07549	16.2
163.09808	9.0
163.11163	100.0
163.12303	3.6
163.14780	6.3
164.03220	1.2
164.04401	1.9
164.07054	23.2
164.11563	4.2
177.00827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.36666	0.3
51.02375	0.9
53.03946	4.9
55.01870	1.8
55.05511	1.4
56.96563	1.1
57.03439	1.1
57.07067	1.2
58.05284	0.3
59.00541	0.4
63.02379	0.4
65.03924	0.5
67.05507	1.7
69.03423	1.0
69.07066	1.1
71.14147	0.6
71.14478	0.4
73.02928	0.5
77.03941	1.3
79.05491	11.8
81.03412	1.4
81.07077	2.2
82.01437	0.5
83.04978	0.3
85.02911	0.9
89.03919	2.0
89.06045	0.5
91.05482	3.5
92.02631	2.5
92.74705	0.3
93.07039	5.8
94.51550	0.4
95.04972	15.7
95.08607	1.1
95.97815	0.3
96.05296	0.3
97.02891	0.4
98.97556	0.8
100.02484	6.7
103.05471	34.6
103.52106	0.4
104.05807	1.2
105.03389	3.8
105.04498	2.3
105.07031	2.9
106.06561	0.5
107.04955	18.8
107.08586	5.2
108.05303	0.6
115.05453	0.5
116.98613	0.4
117.03417	0.8
117.05743	0.4
117.07018	4.1
118.02679	0.4
118.03521	6.5
118.06538	0.5
119.01780	1.1
119.04981	0.7
119.08589	1.7
120.02066	0.6
121.06477	1.8
121.10135	1.6
123.04048	1.1
128.02338	1.0
130.06561	1.0
130.07759	0.7
130.52582	0.5
131.04929	50.2
132.05260	1.9
132.08070	1.2
133.02853	19.8
134.03207	0.5
135.04420	22.6
135.08006	2.1
135.11691	3.2
135.53619	0.4
136.04803	0.9
138.03131	0.8
139.53093	0.8
140.54729	0.5
141.05107	0.9
142.03555	0.4
143.08633	0.4
145.02879	0.7
145.03981	1.4
145.06493	1.6
145.10129	5.3
148.08809	0.5
151.03903	0.4
158.01231	0.4
163.03906	100.0
163.07533	32.5
163.11159	11.3
163.12344	1.3
163.14787	1.2
164.04314	4.4
164.06975	1.0
164.08104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.05503	2.8
56.05021	0.7
56.96560	2.0
57.03439	1.4
67.05508	3.2
69.03443	6.6
69.07073	0.7
71.58732	1.0
73.02908	1.0
74.06072	2.0
77.00888	1.6
77.03925	0.7
79.05497	10.3
81.03422	0.8
81.07072	5.0
83.04983	15.2
84.05283	0.8
91.05469	4.7
92.02627	2.0
92.05809	0.7
93.07043	7.0
95.01923	1.5
95.04969	11.2
98.97607	1.2
102.05538	0.8
103.05458	6.5
103.52081	0.8
104.94147	0.7
105.03391	5.6
105.04507	2.6
105.07028	5.5
106.06543	1.4
106.07337	1.7
107.04945	5.7
107.08597	3.8
107.52396	0.6
110.01285	1.1
114.06047	0.8
115.05427	0.7
116.07123	0.9
116.98618	0.9
117.05595	1.2
117.07039	2.5
118.06328	2.0
119.01813	1.6
119.04920	0.7
119.07046	1.2
119.08588	2.7
120.06604	1.5
120.08127	1.3
120.08928	1.9
121.06646	2.0
121.07548	1.4
121.10158	5.8
123.06524	0.7
124.06271	0.7
125.04578	1.3
125.07078	8.4
125.56981	1.0
126.06010	2.8
126.06952	0.8
127.06796	1.0
128.02333	2.6
128.07610	1.3
129.57057	1.0
130.06502	1.9
130.08051	4.2
130.52557	1.5
130.58086	1.4
131.04929	12.5
132.08073	3.3
133.02858	17.5
133.10152	1.6
134.06020	1.7
134.07607	2.4
134.10475	1.5
135.04420	19.6
135.08067	1.8
135.11674	1.6
136.57828	2.6
137.08008	1.1
137.56795	0.8
138.03128	1.1
138.07843	4.1
139.08617	68.7
139.53108	0.8
139.58722	17.8
140.08516	2.7
141.58859	4.3
142.09113	1.0
144.06526	1.2
145.10083	1.6
146.07576	2.3
146.99701	1.1
147.08395	3.3
148.09138	10.4
148.57956	1.1
148.59258	2.7
149.58617	1.5
150.59427	29.0
151.09520	7.3
151.59357	0.9
157.07112	1.5
157.10068	0.8
159.05061	0.8
159.59955	2.4
160.10046	1.2
162.05476	9.5
162.06519	1.0
162.07808	1.1
162.09111	2.4
162.10254	5.9
162.13683	3.3
162.60374	1.4
163.03912	100.0
163.07536	7.9
163.11177	6.2
163.12350	2.3
175.08260	1.2
180.04539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03945	0.6
55.01888	0.8
55.05513	6.4
56.87365	0.6
59.06121	0.6
61.39770	0.6
67.05504	2.0
69.03440	0.5
69.07071	10.0
70.17079	0.7
70.74751	1.8
74.06091	0.7
79.05492	3.9
81.07059	9.1
81.87273	0.6
83.04971	0.7
83.08637	0.7
87.05581	0.7
91.05488	10.5
93.04575	0.5
93.07035	4.8
95.04972	0.8
95.08610	1.3
103.05475	2.1
104.84846	0.5
105.07034	81.9
106.06629	0.6
106.07351	1.5
107.08610	2.1
115.05446	1.7
117.07059	3.7
119.08583	88.7
119.95747	0.8
120.05614	0.9
120.08946	1.9
121.06366	1.3
121.10116	1.3
128.06172	0.5
130.07784	0.9
131.08577	5.4
132.09389	0.9
133.06438	2.6
133.10133	37.7
134.06108	0.6
134.07155	1.3
134.10464	1.5
143.08542	0.8
145.10136	2.0
146.07253	0.7
146.10890	2.1
159.11702	3.3
161.06017	3.0
161.08191	1.7
161.09607	6.7
161.13258	100.0
162.05519	7.0
162.13594	3.2
175.37805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03925	0.9
55.01862	1.5
55.05508	6.7
56.92818	0.6
56.96558	1.3
67.05495	2.2
68.57276	0.7
68.62756	0.7
69.03424	1.4
69.06724	0.9
69.07065	7.9
71.59470	1.3
72.00603	0.7
73.02921	0.8
78.93117	1.1
79.05491	4.6
79.90643	0.7
81.07058	6.3
82.33221	0.7
83.08607	0.8
85.02875	0.7
88.02216	1.1
90.53928	0.7
91.05482	11.1
93.04514	0.8
93.07037	3.4
95.04941	0.9
95.08597	1.0
97.02895	0.7
103.05459	2.6
104.94756	0.9
105.03391	1.7
105.07027	52.8
107.08612	1.9
111.04433	0.8
113.02375	1.2
115.03994	1.4
115.05449	2.9
116.05819	1.0
117.07030	4.7
118.04129	1.1
118.06531	0.8
119.08579	85.1
120.05627	1.3
120.06545	0.8
120.08120	1.3
120.08929	2.9
121.06411	1.5
121.10112	1.2
128.06219	1.1
131.04970	0.8
131.08549	5.0
133.02896	0.9
133.06477	3.2
133.10130	35.3
134.06029	1.7
134.07114	1.1
143.08516	2.2
145.10126	2.0
146.03583	1.4
146.07309	1.3
146.10854	2.6
159.11702	2.8
161.02299	1.2
161.05943	7.7
161.07030	1.6
161.08179	2.4
161.09621	13.6
161.13252	100.0
162.05490	7.7
162.06607	1.0
162.09071	1.2
162.13603	3.6
163.11162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19270	0.2
58.99870	0.2
59.06115	0.2
60.00658	0.2
60.04506	0.2
66.16645	0.2
67.05519	0.2
71.02984	0.5
71.04365	0.5
81.07041	0.2
82.99852	0.8
83.04980	0.5
91.05478	0.2
92.20115	0.2
100.02478	0.8
101.00876	10.9
102.00951	1.1
102.05490	0.2
103.00629	0.4
103.02452	1.0
105.07002	0.4
107.05271	1.2
107.55348	0.2
111.04441	1.3
114.53909	0.2
116.05790	5.5
116.06549	0.2
116.55874	0.8
117.05698	0.4
118.03506	1.2
119.01921	100.0
119.98808	0.2
120.02012	10.4
120.03255	0.4
121.01658	1.9
121.02370	0.3
121.03477	0.5
125.06276	0.3
127.56579	0.7
129.03909	0.3
129.04736	1.4
133.03433	0.2
136.04578	0.3
137.02959	54.1
137.99832	0.4
138.03064	5.3
138.05261	0.4
139.02570	1.0
142.03496	4.0
143.03671	7.2
144.03230	2.4
147.05014	0.4
156.00824	0.2
160.04573	1.7
161.02950	5.4
161.04643	5.0
161.09433	0.5
162.03064	0.3
162.04248	2.1
165.06116	0.2
166.05336	0.3
179.03996	10.4
179.05562	1.8
180.04169	0.6
180.05415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1333
Annotation	2-Aminooctanoic acid
Peak:m/z	Relative Intensity
55.01866	0.3
55.05501	0.8
56.05027	1.0
56.96564	1.0
57.03431	0.5
57.04560	0.2
58.02932	0.2
58.06599	4.7
59.04994	0.7
59.06125	4.9
59.93102	0.3
60.04525	1.5
61.02919	0.4
67.04226	0.9
67.12048	0.2
68.05012	0.5
69.03431	0.8
69.07068	4.3
70.06583	1.7
71.01338	0.2
71.05003	0.3
71.06099	0.2
71.23998	0.4
72.04511	0.8
72.08161	1.7
73.02923	0.6
73.06551	0.9
74.06084	0.5
75.04462	0.3
75.05593	1.2
76.03970	0.2
79.05492	0.6
81.03434	0.3
81.07079	0.3
82.06587	0.2
83.04969	0.3
83.06088	0.8
84.04490	1.0
84.08119	1.2
85.02911	0.8
85.04050	0.4
85.07674	1.0
85.08916	3.0
86.06067	1.0
86.09249	0.3
86.09710	1.5
87.04446	0.4
87.05613	0.3
88.03993	0.4
91.05473	0.9
94.04182	0.3
96.04496	0.6
96.08128	0.4
97.02869	1.2
97.07632	0.7
98.06049	1.0
98.09695	0.2
98.97578	0.6
99.04451	0.3
99.05564	0.6
99.14648	0.2
100.04002	0.5
100.07607	0.5
100.08730	0.3
100.20239	0.2
101.00867	0.3
101.02386	0.2
101.06036	1.1
101.07124	1.3
102.05543	0.7
102.09164	0.3
103.05460	0.5
105.00066	0.3
105.07026	3.6
107.04972	0.3
109.02792	0.2
113.02358	0.9
113.07117	0.6
114.03748	0.5
114.05534	0.6
114.12802	100.0
115.04099	0.5
115.05458	9.1
115.08665	0.4
115.13129	2.0
116.04955	0.3
116.05763	0.3
116.10724	0.7
116.98596	0.6
117.05000	0.4
117.05763	4.6
117.06540	0.2
117.07048	0.6
118.06551	2.2
118.96761	1.3
119.01913	4.2
119.08549	0.3
124.07571	0.3
125.07112	0.7
128.11853	0.3
130.06517	0.5
131.04907	0.6
131.07257	0.5
132.04434	0.6
132.08086	11.4
133.05363	0.4
133.06476	3.0
133.08403	0.3
133.10097	0.2
134.99644	0.5
136.00002	0.3
137.02957	2.5
142.03494	2.3
142.06526	2.2
142.08659	1.7
143.07256	1.3
143.08228	0.7
145.01695	0.2
148.05652	0.7
151.06305	0.4
154.96484	0.7
159.06842	1.5
160.04651	1.8
160.07570	80.1
160.13318	29.6
161.04678	0.4
161.05934	0.8
161.07912	3.4
161.09441	1.0
161.13554	0.7
163.02629	0.5
164.79556	0.2
178.05571	0.5
178.71851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	2721-59-7
Peak:m/z	Relative Intensity
53.22092	0.3
55.01873	1.4
55.05511	1.3
56.05034	2.0
56.96568	1.6
57.03441	1.1
58.02951	0.4
58.06603	3.4
59.04996	0.9
59.06123	11.0
59.93109	0.7
60.04534	3.1
62.06075	0.4
64.02436	0.3
67.04245	1.1
68.05021	1.0
69.03419	1.9
69.07067	4.5
70.02971	0.4
70.06597	2.6
70.19607	0.8
70.20020	1.0
71.01340	0.3
71.04964	0.3
71.06120	0.4
72.04512	1.5
72.08154	2.7
73.02918	0.7
73.06549	1.0
74.06078	1.0
75.04462	0.4
75.05601	2.0
77.93391	0.4
77.94173	0.4
79.05496	0.6
80.05045	0.5
81.07041	0.4
82.06598	0.5
83.04986	1.0
83.06105	1.0
84.04509	2.3
84.08141	1.8
85.02896	1.3
85.04018	0.5
85.07670	2.4
85.08926	2.5
86.06057	2.5
86.09715	1.4
87.04465	0.9
87.05572	0.4
88.03993	0.7
88.07623	0.5
91.05514	0.8
95.06093	0.7
96.04477	0.8
96.08128	1.2
97.02893	1.8
97.07662	1.0
98.06055	3.3
98.09678	0.5
98.97575	1.1
99.05584	1.4
99.09215	0.5
100.03977	1.3
100.06335	0.4
100.07596	1.4
100.08745	0.5
101.00880	0.5
101.06053	1.8
101.07133	3.1
102.05541	2.0
105.07043	4.5
107.04988	0.3
111.04401	0.5
112.05063	0.4
112.07613	0.9
113.02373	1.8
113.07133	1.1
114.05531	1.5
114.09196	0.8
114.12807	87.3
115.05465	11.5
115.08712	0.4
115.13123	1.3
116.10733	2.0
116.98620	1.6
117.05778	5.8
117.06554	0.8
117.06990	0.4
117.10163	0.5
118.03472	0.5
118.06577	2.5
118.96776	3.8
118.98161	0.5
119.01918	7.5
119.03309	0.4
119.08620	0.4
121.47836	0.4
123.69154	0.3
124.07602	1.1
125.07090	0.9
128.55159	0.4
130.06508	1.2
131.04936	0.8
131.07320	0.5
132.04498	0.4
132.06548	0.7
132.08093	16.5
133.05385	0.6
133.06477	3.3
133.08437	0.4
133.10100	0.5
134.01201	0.5
134.99652	1.4
136.00044	0.4
136.99202	0.8
137.00130	0.4
137.02930	4.5
137.96877	0.5
142.03502	3.8
142.05006	0.8
142.06531	2.0
142.08641	7.8
142.09715	0.7
143.03502	0.6
143.07193	0.7
143.08192	1.8
143.11765	0.4
144.10320	0.4
145.01624	0.4
148.05652	0.5
150.95720	0.4
151.06352	1.1
154.59134	0.4
154.96416	1.4
159.06799	2.8
159.07971	0.6
160.04608	3.7
160.07574	100.0
160.09695	4.3
160.10843	2.4
160.13322	24.1
161.04550	0.3
161.05956	0.4
161.07932	3.2
161.09351	1.7
161.13342	0.6
177.00681	0.4
178.05597	1.4
178.07307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96553	1.0
57.03439	2.6
57.07075	4.3
64.03131	0.3
67.05497	1.7
69.25903	3.4
71.04997	0.6
76.93366	3.1
77.93387	0.3
79.05474	0.4
81.02350	0.3
81.07037	0.5
85.02911	0.3
85.06550	2.2
86.28879	0.3
87.00804	0.3
91.05482	3.3
94.94394	0.9
98.03113	0.3
98.97579	0.8
99.04430	0.4
103.05464	0.3
103.07572	1.0
105.07030	14.0
113.02333	0.7
114.05511	0.5
115.05435	1.5
116.06176	0.7
116.98610	1.7
117.05782	0.6
117.07022	10.5
117.95977	3.3
118.06577	1.5
118.07264	0.3
118.96738	0.4
119.08582	6.7
127.49051	0.3
128.06227	1.1
129.07005	8.1
130.07799	3.7
131.04813	0.4
131.06921	1.0
131.08569	25.3
132.04407	0.4
132.06581	0.3
132.08038	0.6
132.08908	1.0
134.99649	1.5
135.97008	2.7
141.01842	3.6
142.07758	1.2
143.08569	1.3
144.04510	0.7
144.05586	0.4
144.09344	20.3
145.05264	2.1
145.09686	0.9
153.00616	0.4
157.10130	3.7
159.08067	2.0
159.11690	100.0
160.07579	5.1
160.12024	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	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.05502	0.6
55.15663	0.3
56.05027	0.5
56.96570	1.6
57.03432	0.4
59.06123	1.7
60.04511	0.5
61.48425	0.3
65.03949	0.3
67.05504	1.9
67.05817	0.4
70.06218	1.4
70.06588	0.5
71.04987	0.6
71.06094	0.3
71.06934	0.5
72.04508	0.5
72.08163	0.4
75.05595	0.5
76.93368	3.4
79.05486	0.6
81.07044	0.8
83.06071	0.3
84.04493	0.8
84.08139	0.3
85.02897	0.5
85.07649	0.5
86.06062	0.4
86.08463	0.4
87.00813	0.6
87.05575	0.6
91.05482	4.4
94.94408	0.9
95.04996	0.3
95.06062	0.4
95.08592	1.2
97.06543	0.3
98.97592	2.9
99.04457	0.6
99.05597	0.5
100.03986	0.3
100.07617	0.3
102.05537	0.4
103.05451	0.7
105.07031	15.2
106.07341	0.4
112.95416	0.4
113.02351	0.6
113.05988	0.3
113.07098	0.5
113.09643	0.4
114.05537	0.4
114.09182	0.4
115.05439	1.7
116.06245	0.6
116.98619	4.0
117.01845	0.9
117.05712	0.6
117.07034	12.1
117.95969	3.2
118.06540	1.3
118.07311	0.5
118.96751	0.5
119.08585	11.2
120.08884	0.5
128.06194	1.3
129.07008	11.8
130.07820	4.1
131.08571	25.3
132.04408	0.3
132.05589	0.4
132.06551	0.5
132.08060	0.7
132.08920	0.6
134.98654	0.4
134.99658	4.2
135.97017	3.0
136.00035	0.4
141.01826	3.2
141.06854	0.5
142.07768	2.0
143.08601	2.1
144.09344	29.7
145.09669	1.2
146.27217	0.3
153.00710	1.0
157.10147	4.2
158.10623	0.3
158.98660	0.4
159.07983	1.8
159.11691	100.0
160.05093	1.8
160.07608	1.2
160.12025	4.1
161.09673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05483	0.2
56.05033	0.3
56.96559	1.8
57.03423	0.6
58.02954	0.3
59.06131	1.4
59.93101	0.4
60.04509	0.2
65.03912	0.3
67.05503	1.8
68.05013	0.3
69.03412	0.3
69.07085	0.3
70.06567	0.4
71.04996	0.7
71.58458	0.4
72.04510	0.7
76.60017	0.2
76.92956	0.4
76.93366	3.7
79.05488	0.6
80.04964	0.2
81.07043	0.6
83.06094	0.3
85.02899	0.4
85.07648	0.4
87.00818	0.9
91.05481	3.7
92.35693	0.2
94.94411	1.1
95.04948	0.3
95.08612	0.4
96.04459	0.3
98.97571	2.4
99.04459	0.5
99.05560	0.7
100.07641	0.4
100.39249	0.3
101.07130	0.3
103.05443	0.7
105.07029	12.9
106.07356	0.4
113.02346	0.9
113.05995	0.4
113.07132	0.4
114.05532	0.3
115.05440	1.9
116.06209	1.1
116.06940	0.3
116.98627	3.0
117.01852	0.5
117.05778	0.5
117.07020	10.5
117.95990	3.5
118.06543	2.0
118.07295	0.5
118.96800	0.3
119.08578	13.1
128.06213	1.3
129.07001	12.0
130.06477	0.5
130.07761	3.2
131.04913	0.5
131.08565	20.3
132.04446	0.3
132.06612	0.3
132.08057	1.0
132.08926	0.7
134.99660	3.4
135.97014	3.4
135.99968	0.4
141.01839	3.9
142.06761	0.3
142.07745	1.3
143.08592	2.0
144.09340	30.8
145.09619	1.3
153.00751	0.7
157.10141	3.4
158.98633	0.4
159.04349	0.6
159.08051	2.5
159.11685	100.0
160.06233	0.3
160.07567	1.1
160.12061	4.7
161.09540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.01856	0.3
55.05516	0.4
56.05023	0.8
56.96553	1.4
57.03438	0.5
57.58913	0.3
58.06600	0.3
59.06115	2.1
60.04518	0.6
60.84351	0.4
65.03944	0.3
67.05515	1.8
70.06570	0.7
70.83084	0.7
70.83424	0.4
71.04987	0.9
71.06110	0.4
72.04534	0.7
72.08131	0.5
74.06075	0.3
75.05599	0.7
76.03966	0.3
76.63871	0.3
76.93370	4.1
79.05483	0.7
81.07059	0.9
83.04958	0.4
84.04521	0.4
85.02871	0.4
85.07677	0.8
86.06069	0.4
87.00821	0.7
87.05582	0.8
91.05490	3.5
93.07049	0.3
94.94402	1.1
95.08592	1.3
97.07610	0.3
98.06033	0.4
98.97583	4.1
99.05553	1.0
100.03974	0.6
100.07594	0.4
100.08707	0.4
102.05543	0.4
103.05457	0.9
105.07030	12.8
106.07362	0.6
111.05576	0.3
112.01175	0.3
112.05063	0.4
113.02362	0.8
113.05988	0.3
113.07131	0.7
113.07898	0.4
114.05516	0.4
114.09182	0.5
114.55411	0.3
115.05460	1.6
116.06287	0.7
116.98614	5.0
117.01820	0.7
117.07039	10.0
117.95969	3.8
118.06547	1.5
118.07273	0.3
118.96783	0.7
119.08584	10.7
125.19734	0.3
125.37145	0.4
128.06210	1.4
129.07002	11.6
130.07814	3.6
131.04924	0.4
131.08569	22.2
132.08083	1.2
132.08936	0.7
134.99660	5.0
135.97031	3.0
135.99966	0.6
141.01817	3.1
141.06638	0.5
141.09155	0.5
142.06770	0.3
142.07751	1.6
143.08569	1.5
144.09344	26.6
145.09747	0.9
151.00069	0.3
153.00743	1.0
157.10129	3.5
158.10425	0.4
159.07915	2.2
159.11688	100.0
160.05057	0.6
160.07600	0.8
160.10802	0.6
160.12019	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	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33402	0.9
56.96555	3.2
57.03148	1.3
57.03436	51.7
57.07074	100.0
58.07393	2.3
61.02922	5.2
61.54990	0.8
67.05499	1.8
69.03439	0.9
69.84351	5.9
70.06573	1.5
71.04971	1.5
71.06911	0.9
72.04504	1.6
76.92920	1.8
76.93359	10.8
79.05501	1.4
81.03416	1.1
81.07055	2.0
85.02897	1.7
85.06541	62.8
85.68732	0.9
86.06886	1.1
87.04455	2.9
91.05483	6.0
94.94376	4.7
95.08581	1.3
98.20721	1.1
98.97561	1.7
99.04438	1.6
99.05509	1.5
100.07617	1.4
103.07578	31.9
105.07028	7.8
111.70756	0.9
112.95464	1.2
113.02345	4.1
113.06014	1.4
115.05447	1.9
116.06242	1.6
116.98599	3.3
117.07044	10.1
117.95970	11.3
118.06559	5.4
118.07233	1.0
119.08565	3.3
122.44113	0.9
128.06207	1.3
129.06996	7.8
130.07739	2.6
131.04933	1.4
131.08560	21.4
132.08066	2.2
134.99689	4.8
135.97021	10.5
141.01811	18.0
141.06978	1.2
144.05704	2.7
144.09338	13.9
153.00722	1.0
153.03926	0.9
157.10106	2.8
158.98567	2.1
159.04375	1.2
159.05591	1.0
159.06862	2.1
159.08055	10.5
159.10141	43.3
159.11674	60.6
159.15753	1.9
160.06187	1.2
160.07533	2.7
160.12010	2.5
173.91168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.01888	0.9
55.05517	1.6
56.05043	1.4
56.96568	5.4
57.03433	0.6
57.04574	0.8
57.07071	0.5
57.93574	1.5
58.01472	1.6
58.06592	0.9
58.99873	0.9
59.06125	2.2
59.50975	0.4
60.04537	0.9
61.67735	0.4
65.03960	0.4
66.46092	0.3
67.05502	1.0
68.05038	0.6
69.03437	0.9
69.07072	1.2
70.02926	0.4
70.06598	1.2
70.40591	1.1
70.95872	0.5
71.06112	0.7
71.95284	0.7
71.95914	0.5
72.04530	0.7
72.08155	0.5
72.93788	0.8
73.04047	0.4
74.06068	0.7
74.93833	8.0
75.94604	0.6
76.02526	0.8
76.04025	0.4
77.00916	1.6
79.05508	0.9
79.10783	0.4
81.03447	0.5
81.07066	0.6
82.01460	1.1
83.04992	1.5
83.06115	2.3
84.04513	0.9
86.06078	0.7
87.05595	3.7
88.02621	0.4
88.96867	0.4
91.05476	0.8
92.94883	2.5
93.07047	1.1
93.72594	0.4
93.95642	0.5
95.01945	0.9
95.04975	0.7
95.06049	0.5
95.08606	0.5
96.50574	0.4
97.02885	0.7
97.04042	0.6
97.06522	1.3
97.07668	0.5
97.10165	0.5
98.00929	1.2
98.06045	0.7
98.07179	1.3
98.97583	17.1
99.04514	0.5
99.05577	1.7
100.02483	9.6
100.69996	0.4
101.00883	2.0
101.02511	0.6
101.07182	0.4
102.02249	0.8
102.03360	0.5
103.02393	0.5
104.02599	0.5
105.07018	1.0
105.21377	0.3
109.07624	0.4
110.95880	0.4
111.04408	0.9
111.05566	2.9
111.08084	0.6
111.09234	0.4
112.07617	0.9
113.07131	0.7
114.06654	0.6
114.38456	0.4
115.04135	0.4
115.96445	9.7
116.01134	0.6
116.01947	11.6
116.02727	0.6
116.03503	0.5
116.07168	0.5
116.97328	4.9
116.98616	24.5
117.02174	0.5
117.04028	0.5
118.03523	20.3
119.01923	20.2
119.03654	1.1
120.02007	1.1
120.03299	0.5
121.01663	0.9
124.52404	0.5
129.07014	0.5
130.03532	0.6
131.99519	0.7
132.05060	1.0
132.49741	0.5
133.03467	4.0
133.04559	1.4
133.08224	0.6
133.52922	0.9
133.97472	7.7
134.02992	100.0
134.04752	5.1
134.99660	29.4
135.03207	5.1
135.04257	0.7
135.05110	0.5
136.03499	0.7
136.04553	10.5
137.02962	11.1
138.03128	0.5
139.03519	3.8
140.00186	0.8
140.08188	0.7
141.05096	1.5
141.50262	0.5
142.03510	2.2
142.07790	0.8
143.03575	0.5
145.06790	1.7
146.06793	0.4
148.96179	0.7
150.06097	0.6
150.96889	1.4
151.04517	1.1
151.06265	0.7
151.97076	2.2
152.04033	23.4
152.05762	2.9
152.96959	1.8
153.00725	7.4
153.04115	1.4
154.57495	0.6
156.57643	0.5
156.99016	0.9
157.03566	1.1
157.04588	31.6
157.08174	1.0
157.09915	0.8
158.01370	2.5
158.02979	4.5
158.04770	1.9
158.09590	3.0
160.04514	1.0
174.98753	0.5
175.04428	0.9
175.05659	5.1
175.09250	0.7
175.98567	0.6
176.02393	0.9
176.04042	6.6
176.05769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.102
Annotation	Scopoline
Peak:m/z	Relative Intensity
53.03944	1.6
53.97927	0.7
54.03467	2.1
55.01863	3.5
55.02980	1.1
55.05516	6.8
55.93526	1.8
56.05040	8.0
56.96567	12.8
57.03432	3.9
57.04557	2.5
57.64183	0.7
57.93567	1.0
58.02968	1.5
58.05322	0.7
58.06603	4.8
59.05008	1.0
59.06132	9.2
60.04526	6.7
63.72179	0.8
65.03932	2.5
66.03436	1.0
67.02993	4.0
67.05502	7.5
68.05034	6.8
68.05839	2.0
68.07633	0.9
69.03423	3.6
69.04559	4.1
69.07069	10.3
70.02962	2.0
70.06596	8.2
70.95867	26.9
71.04990	2.6
71.06110	3.9
71.58875	1.2
71.59264	0.9
72.04518	6.9
72.08169	4.8
72.93793	30.9
73.02920	1.6
73.04043	1.6
73.07690	0.8
73.93848	4.4
74.06075	5.0
74.93833	21.0
75.05594	1.2
79.05492	4.6
80.05026	3.0
81.03427	1.0
81.04539	7.9
81.05791	1.5
81.07061	3.6
82.02957	2.2
82.05342	1.4
82.06573	10.5
82.07337	1.1
83.03871	0.7
83.04993	6.3
83.06103	8.0
83.08637	2.0
84.04504	5.7
84.06882	1.1
84.08135	2.1
85.02914	1.4
85.04034	1.9
85.06546	2.3
85.07681	3.7
86.06092	3.8
86.08473	1.3
86.09707	11.9
87.05598	3.6
88.03991	1.5
88.07648	0.9
88.96899	12.2
90.94832	11.3
90.95374	1.0
91.05492	2.5
92.94860	8.7
93.04520	1.7
93.07053	8.4
94.06565	3.4
95.04978	3.7
95.06107	4.3
95.07349	2.8
95.08614	8.1
96.04502	19.0
96.05641	5.5
96.08136	14.3
97.02900	3.3
97.04014	8.0
97.04689	1.6
97.05282	13.9
97.06534	11.6
97.07648	12.8
97.91323	0.8
97.99155	1.2
98.04801	2.4
98.06121	4.4
98.07196	7.1
98.09677	5.3
99.04454	1.1
99.05573	4.7
100.03967	3.9
100.07611	8.8
101.07138	2.0
106.97939	3.0
108.05612	2.8
108.08110	2.4
108.95866	2.6
109.06516	4.7
109.07662	2.9
110.02428	1.3
110.06050	40.6
110.07179	11.5
110.09691	19.0
110.10450	1.1
110.95921	2.0
111.04475	3.8
111.05585	9.3
111.06344	1.2
111.08069	12.2
111.09188	5.6
111.98483	15.9
112.01076	0.9
112.03971	1.0
112.05090	1.2
112.07632	2.5
112.08765	0.9
113.06021	1.4
113.07153	3.5
113.10779	3.3
113.96404	5.3
114.05549	2.0
114.06659	23.2
114.09177	1.3
114.10358	0.8
114.94764	1.1
114.96555	2.7
115.03902	1.1
115.05047	3.6
115.08692	2.3
115.96441	22.1
115.97269	1.1
116.00243	0.9
116.97200	2.1
120.05584	5.5
120.08112	4.2
121.01560	1.4
121.06512	3.1
123.06812	1.4
123.08046	0.9
124.05054	1.0
124.07621	3.0
125.08373	9.0
126.01145	0.8
126.06632	1.2
126.09159	35.6
126.17284	0.8
128.03395	0.9
128.07097	2.3
128.07957	0.8
128.10722	4.0
129.06938	1.1
129.10274	2.7
129.99510	13.2
130.04974	1.0
130.06546	2.3
131.97424	6.1
132.95842	24.7
132.97601	3.9
133.97476	26.9
134.01241	0.8
138.05525	5.2
138.06636	14.3
138.09142	80.0
139.03963	1.6
139.05031	3.1
139.07512	4.8
139.08672	4.6
139.09541	1.8
139.12286	1.2
141.07002	2.7
142.07782	2.9
148.58264	0.7
150.96890	100.0
151.97073	2.7
153.01094	2.8
154.99080	1.0
155.97438	7.4
156.02905	1.4
156.06543	5.4
156.07698	13.4
156.10219	83.9
156.11349	9.6
156.14977	1.5
156.99071	3.1
157.01294	1.8
157.04913	2.7
157.06155	2.0
157.07494	1.5
157.10316	3.0
164.98640	1.0
168.97960	5.9
173.98509	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
53.03942	0.5
55.01872	1.0
55.05511	3.9
56.05025	1.0
56.96558	1.0
57.03433	1.7
57.07075	100.0
58.06606	0.6
58.07423	1.2
59.04998	0.6
59.06126	1.2
60.04517	1.1
65.03951	0.8
67.05498	7.5
68.05021	1.0
69.03432	1.1
69.04560	0.9
69.07059	2.2
69.96169	0.6
70.06587	1.1
70.95855	3.5
71.04990	2.4
71.06119	0.8
71.08646	0.9
72.04523	0.8
72.08176	0.8
72.93787	34.3
79.05511	1.0
81.03399	1.0
81.04551	1.0
81.07051	8.4
82.06583	0.9
83.04985	2.6
83.06091	0.6
84.04527	0.7
85.02904	0.8
85.06543	18.1
86.06093	0.7
88.96913	1.0
90.94818	8.3
90.95304	0.7
91.05522	0.8
95.04962	3.1
95.06093	1.0
95.08605	5.7
95.09166	0.5
96.04524	0.6
96.05637	1.6
97.02935	0.5
97.04042	1.5
97.06509	1.3
97.07645	0.9
98.07181	1.6
98.98470	1.0
99.04475	2.0
99.08123	1.1
108.54468	0.4
108.95908	1.5
109.02908	1.3
109.06535	2.9
109.07656	1.3
109.10157	5.2
110.06059	1.4
110.07167	2.3
111.04423	2.8
111.05644	0.5
111.08100	1.0
111.98502	1.6
112.07653	0.5
112.08762	1.5
113.06012	2.6
113.07171	0.8
113.08237	1.1
113.96397	18.3
114.06671	2.8
114.10342	0.6
118.44876	0.5
120.05595	0.7
121.01637	0.6
125.06096	0.4
127.03966	2.0
127.07586	1.5
128.07074	0.7
129.99518	1.2
131.97433	18.5
131.99696	0.7
132.95865	4.1
137.02367	0.6
137.05994	1.5
137.09677	1.3
137.13274	1.0
138.05525	0.8
138.06546	1.2
141.07007	1.6
149.97221	0.8
150.96883	11.5
154.99071	2.0
155.03456	2.7
155.07043	7.6
155.08215	1.3
155.08632	0.6
155.09299	2.2
155.10712	1.2
155.12982	1.9
155.14365	9.7
155.97493	0.5
156.06581	1.3
156.07759	1.4
156.09277	0.8
156.11398	0.8
159.14746	0.6
168.98010	0.8
173.98564	1.3
174.79628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
57.03419	0.9
58.06597	1.3
70.18786	3.5
72.08160	1.8
74.09341	1.4
74.09721	17.5
82.05310	2.1
82.06547	2.4
83.06104	5.2
84.08148	1.9
85.07655	1.6
88.95667	1.0
93.04515	4.3
95.06084	4.9
96.08107	2.3
96.96909	2.4
104.53690	1.1
110.07168	68.2
111.05531	1.7
111.07491	1.1
118.03471	1.4
119.01937	2.6
130.06303	17.4
133.03499	1.3
137.02931	1.3
138.09143	10.1
139.09483	1.6
150.96826	1.8
156.04214	100.0
156.07622	7.6
156.10193	11.2
157.04578	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	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01865	0.6
55.05507	0.3
56.05031	0.7
56.96548	0.2
57.03430	0.4
58.06615	0.3
61.02930	0.7
67.05514	0.2
68.05036	1.1
69.03441	0.2
69.51167	0.3
69.51570	1.5
70.06586	0.6
70.95869	1.7
71.18238	0.2
72.08159	0.5
72.93781	1.6
73.02924	0.7
74.09711	0.9
74.93822	0.2
77.00878	0.3
81.04543	0.6
82.05322	1.7
82.06593	0.6
83.06104	8.8
84.08134	0.4
85.07671	0.4
86.06094	0.3
88.96906	0.5
90.94822	0.5
92.52666	0.2
93.04530	5.6
93.07069	0.2
95.01311	0.3
95.06093	6.8
96.04515	0.3
96.08140	0.5
97.07668	0.3
98.07212	0.3
98.09691	0.5
100.02493	1.5
101.00889	1.4
101.01961	0.2
101.02582	1.0
101.53199	0.4
102.02225	0.3
103.00665	0.3
103.01354	0.3
103.02233	0.2
110.07167	100.0
111.05557	0.8
111.06852	0.4
111.07511	1.3
111.09248	0.2
111.98495	0.7
112.08717	0.2
113.07123	0.3
113.10790	0.3
113.96413	0.3
114.04050	0.3
114.09157	0.7
118.03518	1.2
119.01921	9.7
119.03612	1.0
120.02026	0.9
120.03249	0.3
121.01601	0.5
124.02511	0.3
129.99524	0.7
130.06317	1.0
131.01897	0.6
131.97421	0.4
132.02032	0.6
132.05045	0.6
132.95854	2.2
133.01646	0.6
133.03462	1.2
137.02962	4.8
138.03076	0.4
138.05576	0.3
138.09163	2.1
139.05013	0.3
139.06526	0.3
142.03503	6.1
143.03627	0.3
144.03293	0.6
145.03496	0.2
147.55949	0.2
150.96896	5.0
151.04538	0.6
155.97412	0.4
156.04214	7.2
156.07689	13.5
156.10205	2.1
156.11340	0.8
157.08014	0.3
157.13406	0.3
160.04564	2.7
161.89247	0.2
165.05090	0.4
168.01363	0.3
168.97989	0.3
173.98569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.9
55.01869	0.9
55.02996	0.9
55.05511	5.7
55.82507	0.5
56.05037	1.3
56.96563	1.7
57.03441	2.3
57.04547	0.7
57.07077	100.0
58.06609	1.2
58.07402	1.8
59.05043	0.7
59.06125	2.1
60.04531	1.3
65.03941	1.2
67.05509	14.7
68.05035	1.1
68.05845	1.0
69.03436	1.6
69.04567	1.2
69.07074	2.6
69.59954	4.2
70.06597	2.2
70.95880	4.3
71.01362	0.6
71.05003	3.1
71.06131	1.4
72.04524	2.1
72.08167	2.3
72.93791	61.7
73.93842	1.1
79.05508	1.3
81.03434	1.8
81.04552	1.6
81.07056	9.2
82.06608	1.8
83.04990	4.2
83.06136	0.9
83.08623	1.6
84.04511	0.9
85.02904	0.8
85.04056	0.8
85.06548	18.4
85.07639	1.2
86.06091	0.8
88.96922	1.8
90.94834	19.5
90.95383	1.2
91.05506	1.7
93.07067	1.4
95.04968	6.1
95.06128	2.0
95.08607	5.9
95.09081	0.6
96.04540	0.7
96.05627	2.1
97.02918	0.6
97.04025	1.9
97.06494	1.0
97.07677	1.7
97.10204	0.7
98.07215	2.0
98.09642	0.6
98.98482	1.1
99.04491	2.6
99.05601	0.9
99.08110	0.7
107.08579	0.7
108.95866	4.1
109.02885	1.1
109.06538	3.6
109.07674	1.6
109.10149	8.1
109.31176	0.6
109.96060	0.6
110.06055	2.2
110.07175	3.3
111.04458	4.5
111.05591	0.7
111.08072	1.8
111.09203	1.0
111.98512	2.1
112.08735	3.8
113.06022	3.1
113.07157	1.2
113.08296	1.7
113.09623	0.7
113.96404	31.2
114.06662	4.6
114.10339	1.4
121.01562	1.2
123.04460	1.2
125.05935	0.6
127.03963	2.5
127.07533	1.5
128.07109	1.1
128.53293	0.6
129.05536	0.8
129.99525	1.3
131.97441	38.7
132.95840	2.9
132.97699	1.1
137.05997	1.7
137.09691	2.3
137.13228	1.3
138.05603	1.2
138.06664	3.4
138.10165	0.7
139.07603	0.9
149.98592	0.8
150.00710	0.8
150.96896	11.0
154.99054	4.4
155.03426	4.3
155.04675	0.6
155.04964	0.6
155.07069	9.7
155.08287	1.8
155.09297	1.9
155.10704	2.3
155.12984	3.8
155.14354	7.8
156.06575	0.9
156.07797	2.4
156.10278	1.2
156.11360	1.2
173.98532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
53.03947	1.1
55.01874	0.6
55.05512	40.8
56.05846	0.6
56.96559	0.6
57.03430	0.7
59.04992	0.4
64.62205	0.3
65.03941	17.1
66.04275	0.6
67.05497	1.3
68.05025	0.6
68.96327	0.3
69.03426	1.0
69.04565	0.4
69.07074	1.7
70.06593	0.7
70.94253	1.2
70.95866	0.3
71.04994	0.6
71.56638	0.5
71.94109	0.6
71.95280	0.4
79.05499	1.9
81.07065	1.8
83.04983	100.0
83.08600	0.7
83.09055	0.3
84.04530	0.3
84.05306	1.5
88.95284	0.4
91.05466	1.2
93.03407	7.7
93.07045	3.7
95.04969	1.7
95.06074	0.7
95.08596	1.6
97.02927	0.4
97.06552	2.6
97.07691	0.3
100.72374	0.3
105.07082	0.3
107.04960	1.6
107.08601	4.9
108.08963	0.4
109.06513	1.3
109.10143	2.1
110.03680	3.2
110.07172	0.8
111.04443	36.1
111.08052	2.7
111.09215	0.5
111.96870	0.7
112.04789	1.5
112.08716	1.1
113.05885	0.3
124.05209	0.3
125.05997	17.2
125.09623	0.9
126.05509	0.5
126.06345	0.5
126.10220	0.4
129.97881	0.8
134.06001	0.8
135.04411	0.7
135.08051	1.3
135.11708	1.5
136.07574	0.8
136.08685	0.5
137.05959	0.8
153.04378	0.5
153.05470	7.7
153.06586	0.4
153.09103	1.8
153.11356	2.0
153.12733	17.0
153.99173	0.3
154.04951	0.9
154.06024	0.3
154.08536	0.6
154.09718	0.7
154.13069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Dopamine
Peak:m/z	Relative Intensity
55.05511	0.3
56.96561	1.0
57.03421	0.7
58.06580	0.2
59.68977	0.2
61.02924	0.5
61.19081	0.2
61.95901	0.2
65.03934	0.8
68.05023	0.3
68.99774	0.2
69.03423	0.6
69.96186	0.2
69.98027	0.7
69.98441	0.5
70.06577	0.7
70.13004	0.2
71.04967	0.2
71.94095	0.7
72.08141	0.2
72.93784	1.1
73.02914	0.3
79.05501	0.4
81.03407	0.6
81.07058	1.0
82.06607	0.2
83.06100	0.3
84.04503	0.3
84.08131	0.9
85.02907	0.9
86.06054	0.4
90.94801	0.2
91.05482	25.1
92.01312	0.2
92.05024	0.2
92.05811	0.6
93.76042	0.2
94.06542	0.2
95.04960	0.2
95.06074	0.2
96.04479	0.5
97.02873	1.2
98.01292	0.6
98.97555	0.4
100.02523	1.1
101.00878	0.4
102.54326	0.3
104.01286	0.2
107.01825	0.6
107.04930	0.7
108.08126	0.3
108.57130	0.4
109.02867	0.3
109.05090	0.2
109.06517	2.2
110.01277	0.4
111.09191	0.3
112.02789	0.3
113.00859	0.4
113.07165	0.3
113.96392	0.7
118.03498	0.7
119.01914	1.0
119.04943	16.9
120.05286	0.4
120.65790	0.2
121.01717	0.3
121.55315	0.3
122.09667	0.3
126.07753	0.8
127.06132	0.3
131.01909	2.9
131.05574	0.3
131.96111	0.6
131.97455	0.6
132.01987	0.2
132.05763	0.2
133.03419	0.4
133.05287	0.3
134.02325	0.2
136.06129	0.3
136.07576	1.3
136.08533	0.3
137.05977	100.0
138.02827	0.2
138.06316	2.6
138.09138	0.5
140.04799	0.2
142.03520	0.3
145.03424	0.2
149.02966	0.9
149.06641	0.5
149.97162	1.0
150.06699	0.4
151.06342	0.5
153.55876	0.4
154.03529	0.7
154.04980	3.6
154.05975	1.0
154.07379	0.8
154.08630	2.1
154.09763	0.4
154.12311	0.3
155.11792	0.5
161.03107	0.3
162.06790	0.3
162.12231	0.2
163.06285	0.2
172.04633	0.3
173.02980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Geranial
Peak:m/z	Relative Intensity
53.03938	1.5
55.01869	1.6
55.05513	28.1
56.05025	0.9
56.96570	1.4
57.03424	1.7
58.06597	0.7
59.05004	1.2
61.53806	0.5
65.03942	43.3
66.04285	1.1
66.95234	0.6
67.05504	4.9
68.05033	1.4
69.03428	1.9
69.04550	1.3
69.07057	4.7
70.06582	1.7
70.94275	3.8
70.95872	1.3
71.04977	2.9
71.06116	0.7
71.56504	1.1
71.94097	2.5
71.95267	2.1
72.08135	1.2
79.05491	8.3
80.05019	0.8
80.44084	0.7
81.03403	0.7
81.04543	0.9
81.07063	5.9
82.06598	0.8
82.51193	0.6
83.04987	70.9
83.06064	2.2
83.08649	1.3
84.08143	0.6
85.06543	0.7
85.07662	0.9
88.95296	1.5
91.05482	4.0
93.03412	12.3
93.07055	10.0
95.04976	9.4
95.06093	2.3
95.08617	4.5
97.02909	1.4
97.06543	7.8
97.07662	1.1
105.07027	1.0
106.96410	0.7
107.04974	6.1
107.06138	0.7
107.08604	15.0
107.09299	1.1
108.05622	0.9
109.02922	0.7
109.06524	4.8
109.07668	1.9
109.10163	5.9
110.03668	7.0
110.07174	2.6
111.04450	100.0
111.08068	5.7
111.09230	2.1
111.96888	2.8
112.04784	3.0
112.07556	0.6
112.08752	5.7
113.04884	0.5
113.05882	1.1
121.02909	0.8
124.05257	0.8
125.05997	41.7
125.09644	2.5
126.05519	1.3
126.06387	1.2
126.09158	0.8
129.97920	3.0
130.97778	1.0
134.06055	1.2
135.04469	2.9
135.05365	0.9
135.08086	3.0
135.11678	6.3
136.03944	1.1
136.07573	2.4
136.08691	3.6
137.05994	3.0
138.03113	0.7
148.97379	0.7
149.76830	0.5
152.99571	0.7
153.01845	1.6
153.05484	20.3
153.06563	1.3
153.07819	1.1
153.09190	6.0
153.10262	2.2
153.11378	8.9
153.12762	17.7
154.04951	3.2
154.08665	1.4
154.09773	1.4
154.13283	0.7
162.48482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Geranial
Peak:m/z	Relative Intensity
53.03946	1.4
55.01867	1.3
55.05512	42.7
56.05038	0.8
56.05841	0.8
56.96560	1.0
57.03428	1.0
57.07071	0.6
59.04996	0.9
59.91420	0.4
63.87443	0.4
65.03942	6.1
66.04256	0.4
67.05496	3.0
68.05035	1.0
69.03423	1.8
69.07066	5.7
69.43722	4.0
70.06580	1.2
70.94265	2.6
70.95856	0.5
71.01356	0.7
71.04993	1.7
71.06107	0.5
71.94091	0.7
71.95270	0.7
72.08151	1.2
73.06545	1.0
79.05505	4.2
80.05012	0.6
81.03423	1.5
81.04537	0.5
81.07060	5.5
81.08623	0.4
83.04982	100.0
83.08646	1.0
84.05317	1.7
84.08174	0.4
84.41876	0.4
88.95287	0.4
91.05481	2.8
93.03411	2.7
93.07047	6.2
94.06557	1.1
95.04961	5.3
95.06089	1.7
95.08622	3.4
96.04526	0.5
97.02912	0.7
97.06514	4.6
97.07594	0.4
98.20667	0.4
99.09216	0.6
105.07030	1.0
107.04981	3.7
107.08596	8.5
108.04494	0.9
108.05556	0.5
108.08134	0.5
109.06506	2.2
109.07633	2.0
109.10150	3.3
110.03667	1.3
110.07189	1.6
110.09689	0.5
111.04446	15.2
111.08073	4.1
111.09232	1.2
111.11745	0.6
111.96877	1.6
112.08721	2.3
112.96729	0.7
113.05868	0.5
121.02893	0.4
124.05212	0.6
124.08759	0.4
125.02383	0.6
125.06004	7.6
125.09644	1.6
126.05500	1.0
126.09193	1.0
126.10200	0.4
129.97916	1.1
135.04436	1.8
135.08060	4.8
135.11687	2.6
136.04008	0.7
136.05006	0.5
136.07591	1.4
136.08693	1.2
137.05991	3.0
137.06934	0.5
138.06784	1.1
148.97446	0.5
153.01888	0.7
153.05489	4.6
153.06578	0.8
153.07764	0.7
153.09122	5.5
153.10185	0.8
153.11403	4.0
153.12769	20.0
154.04956	2.2
154.08627	2.3
154.09756	1.4
154.13231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Geranial
Peak:m/z	Relative Intensity
52.50505	0.5
52.86047	0.5
53.03947	1.7
55.01861	2.2
55.05512	38.4
56.05830	0.7
56.96559	1.5
57.03435	2.2
57.04540	0.6
57.07072	1.2
59.04989	2.9
65.03941	9.8
67.02991	0.6
67.05502	5.1
68.05029	1.4
68.51867	0.6
69.03437	5.2
69.04562	0.8
69.07072	10.1
70.06593	2.0
70.76546	1.1
70.76881	0.7
70.94259	3.8
70.95869	1.3
71.04993	7.7
71.94106	1.8
71.95258	1.5
72.08142	1.1
73.06560	4.0
79.05493	11.5
80.05008	0.9
81.03427	2.2
81.04543	1.0
81.07057	19.2
82.06575	0.9
83.04982	100.0
83.08623	2.2
84.05295	0.9
85.04044	0.6
85.06538	1.2
85.07660	0.9
87.04454	0.6
88.95285	0.8
91.05482	9.6
93.03395	3.9
93.07043	16.1
94.06559	1.0
94.07367	0.6
95.04970	36.9
95.06066	2.1
95.08587	5.7
97.02851	0.8
97.06534	7.0
97.07712	0.8
98.06062	1.2
101.46191	0.6
105.07034	2.7
106.97871	0.5
107.04961	6.5
107.06119	0.7
107.08591	27.6
108.05685	0.7
108.08153	0.9
108.08910	0.9
109.06509	4.8
109.07652	2.3
109.10161	6.8
110.03664	2.0
110.06055	0.8
110.07173	2.1
110.07881	0.6
110.09677	0.6
111.04440	24.1
111.08077	8.6
111.09228	2.0
111.11701	1.4
111.96880	1.8
112.07635	0.8
112.08749	4.9
113.05865	1.9
115.05469	0.7
117.07005	1.2
119.04991	0.8
119.06072	0.7
123.08092	1.0
124.05216	1.6
124.08705	0.6
125.06004	14.8
125.09638	3.6
126.05538	1.0
126.06500	0.5
126.09258	0.9
126.10252	1.0
129.97926	2.3
135.04431	2.6
135.05437	0.5
135.08075	7.2
135.11713	8.3
136.03958	1.0
136.05020	0.9
136.07559	2.2
136.08568	1.3
136.12083	0.7
137.06000	3.9
137.06912	0.8
148.97389	1.0
152.99495	0.8
153.01888	1.3
153.05478	7.4
153.06497	0.7
153.07629	1.9
153.09134	9.3
153.10156	0.5
153.11374	8.1
153.12764	22.1
154.04924	2.6
154.08641	2.2
154.09766	2.0
154.13210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
51.48768	0.8
53.03936	2.0
54.03471	2.6
55.01861	4.2
55.05513	15.9
56.05022	4.1
56.96565	5.4
57.03423	3.5
57.04552	1.0
57.07070	1.7
58.06589	2.9
59.05001	4.7
59.06117	2.5
63.48754	0.8
65.03604	1.8
65.03941	32.8
67.02982	3.6
67.05502	11.3
68.05034	7.3
68.96311	1.3
68.99793	1.4
69.03429	7.5
69.04560	6.1
69.07066	12.4
69.46635	8.1
70.02959	1.1
70.06239	1.2
70.06590	10.3
70.94257	10.5
70.95850	3.2
71.04991	7.9
71.06108	3.0
71.94106	5.3
71.95262	5.5
72.04506	1.0
72.08159	5.7
73.06533	2.9
74.04839	1.2
79.05062	1.5
79.05494	21.4
80.05009	3.6
81.03416	4.6
81.04546	7.9
81.07059	24.5
82.06566	3.1
83.04980	24.0
83.06084	7.1
83.08633	2.3
84.04514	2.1
84.05635	1.6
84.08125	3.0
85.02907	1.9
85.04035	1.7
85.07653	3.2
86.06066	1.5
87.04485	1.1
88.95293	4.1
88.96894	1.0
91.05475	11.9
93.03410	6.8
93.04517	1.3
93.07042	27.3
94.06564	3.4
95.04970	100.0
95.05994	12.6
95.08587	8.9
96.04494	1.6
96.05705	1.4
96.08141	1.9
97.02882	3.1
97.04008	2.6
97.06528	16.3
97.07645	3.8
97.08422	1.3
98.06060	2.5
98.07198	2.2
98.07952	1.0
98.09705	1.1
99.04410	1.2
99.05585	2.2
105.07060	2.0
106.96309	1.2
107.04951	15.1
107.06075	2.2
107.08596	29.5
108.05566	2.9
108.08097	2.3
109.02877	1.0
109.06527	11.9
109.07649	12.5
109.08363	1.5
109.10161	13.7
110.03677	5.5
110.06036	2.5
110.07178	6.2
111.04443	70.1
111.05612	3.4
111.06806	2.4
111.08080	14.0
111.09196	10.5
111.96894	5.2
111.98479	1.5
112.04846	1.7
112.07597	3.1
112.08731	15.8
112.96711	1.7
113.05891	13.6
113.07128	4.2
117.06992	2.3
119.06091	1.6
121.02856	1.3
124.05178	2.0
124.08743	2.9
125.02392	0.9
125.06004	31.3
125.07002	2.1
125.09600	6.1
126.05508	3.3
126.06594	3.2
126.09180	1.8
126.10275	4.0
127.05016	1.7
127.08657	1.4
127.99963	1.1
129.97905	6.6
130.97743	2.0
134.05931	1.3
135.04407	8.0
135.05443	2.2
135.06580	2.2
135.08058	11.5
135.11700	11.1
136.03949	2.1
136.05025	3.1
136.07565	8.3
136.08693	8.1
136.09535	1.1
137.02306	1.4
137.05974	8.1
137.07104	3.5
137.10754	1.1
138.03120	1.2
138.06749	1.5
139.06212	1.0
148.97348	4.8
149.01102	1.1
152.99521	1.0
153.01804	3.0
153.04376	0.7
153.05490	21.5
153.06587	2.5
153.07680	7.2
153.09099	15.3
153.10237	4.6
153.11349	31.2
153.12730	18.2
154.04979	6.5
154.06068	2.4
154.08617	33.9
154.09746	9.8
154.13326	1.7
162.53839	0.9
171.99023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03951	1.7
54.86250	0.6
55.01871	1.7
55.05511	18.3
56.96571	1.0
57.03435	5.0
57.07078	1.7
59.04992	1.4
65.03941	8.4
67.05502	23.3
69.03429	2.9
69.07068	39.6
70.07415	0.8
70.94266	2.4
70.95865	1.2
71.04988	2.6
71.32386	1.2
71.32710	0.7
71.94107	4.8
71.95264	8.7
73.06561	1.0
79.05492	21.8
80.05828	1.2
81.07056	31.2
82.07376	0.6
83.04980	29.2
83.08619	4.2
84.04500	0.7
86.74183	0.5
87.04478	0.7
88.95300	1.2
91.05470	5.8
93.03403	2.8
93.07040	37.9
93.25723	0.6
94.07392	1.2
95.04989	4.4
95.08609	16.6
97.06529	18.0
97.18577	0.5
105.06991	0.6
106.96308	0.7
107.04987	3.6
107.06097	0.6
107.08591	38.8
108.04485	1.2
108.08923	0.8
109.02847	0.6
109.06514	2.4
109.10156	26.9
110.03662	1.7
110.10500	1.0
111.04462	19.6
111.08074	6.6
111.96892	1.5
112.03983	0.7
112.04780	1.7
112.20418	0.5
112.96718	1.4
125.05983	9.3
125.09641	1.9
126.05502	1.3
126.06343	3.0
129.97913	1.9
130.97740	1.8
133.10143	0.9
135.04425	1.4
135.08078	2.1
135.11691	91.8
136.03909	1.5
136.07573	2.5
136.12053	2.4
137.05986	4.3
138.03110	0.8
153.04265	1.2
153.05487	9.0
153.07489	6.4
153.09212	5.3
153.12744	100.0
154.04962	4.8
154.08623	1.5
154.13087	2.8
173.13629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.03956	0.8
55.01865	0.5
55.05510	14.0
57.03433	0.7
57.07067	0.6
59.04991	0.4
59.55481	0.5
60.13663	0.4
65.03939	40.6
66.04279	0.9
67.05503	2.1
68.05037	0.4
69.03421	0.6
69.07059	1.5
69.81639	1.6
69.82048	1.2
70.06570	0.5
70.94257	1.7
71.04987	1.1
71.94114	0.6
71.95245	0.6
74.10799	0.4
79.05495	2.9
81.03410	3.1
81.07072	2.0
83.04979	33.2
88.95298	0.4
90.12476	0.5
91.05486	1.3
93.03405	22.5
93.07030	4.7
95.04967	3.3
95.06067	0.7
95.08598	1.7
97.02905	0.5
97.06529	3.0
101.65343	0.4
107.04940	2.8
107.08592	6.1
109.02823	0.5
109.06535	1.3
109.10165	2.2
110.03654	8.3
110.07148	1.1
111.04439	100.0
111.08041	2.2
111.09202	0.7
111.96851	0.9
112.04717	2.0
112.08720	1.8
117.07002	0.6
125.05991	45.7
125.09621	0.8
126.06333	0.9
126.10257	0.4
129.97920	1.1
131.73682	0.4
134.06017	1.8
134.99959	0.4
135.04417	0.6
135.08044	2.5
135.11694	1.7
136.07611	0.7
136.08681	0.8
137.05946	0.9
141.28351	0.4
153.01852	0.7
153.05470	21.5
153.09120	3.0
153.11359	2.9
153.12749	7.0
154.04897	0.8
154.09680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0408
Annotation	Xanthine
Peak:m/z	Relative Intensity
52.65158	0.3
53.03937	0.6
54.03453	0.4
55.01870	0.5
55.02996	2.2
55.05505	1.4
56.05033	0.7
56.96566	2.5
57.03426	0.8
59.04993	0.8
61.02925	0.4
65.03933	6.8
67.02978	1.0
67.05500	2.4
68.01375	0.5
68.05027	1.7
68.96329	0.4
69.03414	1.9
69.04550	0.7
69.07065	2.3
70.06576	1.2
70.72587	1.1
70.94254	1.8
70.95863	0.8
71.04987	0.9
71.06112	0.4
71.94089	0.7
72.08153	0.5
79.05490	4.9
80.05020	1.1
81.00885	0.8
81.03413	0.9
81.04539	1.4
81.07056	2.7
82.04062	1.4
82.06568	0.7
83.04979	2.7
83.06103	1.3
84.08138	0.6
85.02901	0.6
88.95299	0.6
88.96924	0.5
91.05489	3.5
93.03423	2.0
93.07038	4.0
94.06548	0.6
95.04968	3.1
95.06088	0.9
95.08595	2.6
96.04531	0.4
96.05650	0.6
96.08173	0.4
97.02919	0.9
97.04025	0.8
97.06532	4.1
97.07655	1.1
98.01342	0.6
98.06067	0.6
98.07129	0.5
98.97638	0.3
107.04951	6.6
107.06068	0.5
107.08578	4.3
107.09190	0.4
108.01982	0.5
108.04501	0.7
108.05350	1.1
108.08141	0.8
108.08941	0.4
109.04047	0.4
109.06503	1.9
109.07658	0.9
109.10142	3.8
109.98896	0.4
110.03528	32.0
110.07180	0.6
110.09692	1.1
111.03696	0.8
111.04440	14.5
111.08097	1.4
111.09237	1.0
111.96879	0.7
112.05052	0.4
112.07623	0.5
112.08740	0.9
113.05864	3.9
113.07152	0.4
117.39072	0.3
119.01880	0.3
119.04953	1.1
121.02836	0.3
122.09646	0.5
123.04378	1.9
124.05219	1.0
124.07549	0.5
124.08777	0.4
125.02260	0.3
125.06001	7.8
125.06981	0.9
125.09638	0.9
126.05503	0.9
126.06654	0.6
127.04984	0.4
127.12970	0.3
128.04561	6.7
129.97925	1.3
130.96375	0.6
130.97710	0.4
131.01924	0.6
135.03014	0.8
135.04433	2.7
135.05473	0.6
135.06499	0.8
135.08064	1.3
135.11714	2.6
136.01419	40.4
136.04863	0.8
136.07558	2.1
136.08673	1.0
137.02415	0.7
137.05980	8.8
137.07021	0.7
138.03088	2.2
148.97343	2.1
149.01263	0.3
153.04094	100.0
153.05463	17.3
153.07364	2.6
153.09102	2.4
153.10258	1.1
153.11342	2.0
153.12738	3.3
153.13832	0.7
154.02470	57.8
154.05190	2.0
154.08647	0.9
154.09776	1.2
155.02910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03938	1.5
55.01878	1.3
56.05022	2.5
56.96552	2.8
57.03441	1.6
59.05019	0.8
61.02927	0.8
64.80082	0.6
65.03925	2.4
67.05478	0.6
68.05019	0.7
69.03422	1.6
69.53269	2.1
69.53687	3.1
70.94247	1.2
73.02893	1.4
79.05493	13.1
80.04988	0.8
81.03413	2.8
82.06587	1.0
84.08124	1.0
85.02898	1.4
91.05488	0.8
93.03377	0.7
93.05803	1.5
94.06528	0.9
95.04972	4.5
96.08123	1.7
97.02871	1.4
98.15150	0.7
98.20712	0.8
98.97567	1.0
105.55160	0.7
106.04928	1.2
106.06554	21.4
107.04955	85.6
107.08614	0.8
108.05260	1.3
108.08111	1.5
108.08780	0.6
109.02876	7.5
109.05141	1.1
109.07473	0.7
110.01267	1.0
110.03536	6.4
110.06035	2.7
110.09680	1.0
111.04412	2.8
111.05573	0.9
115.02415	1.0
116.98610	1.0
118.03518	1.5
119.01894	2.4
119.51943	1.4
122.05978	1.1
123.04428	12.2
124.07586	3.7
125.06052	3.3
128.04582	3.6
131.01939	1.2
131.54150	0.9
133.03430	1.2
134.06020	28.6
135.03058	2.8
135.04405	51.3
135.09221	1.2
136.04694	1.5
137.02333	2.5
138.03136	4.8
138.99144	0.7
140.05014	1.2
146.99663	1.1
147.01350	1.0
147.05081	1.1
152.05673	71.4
152.07051	100.0
152.08160	3.9
153.04066	20.9
153.05461	20.5
153.07416	2.7
153.13855	1.5
161.02986	2.0
173.03014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03948	1.5
55.01859	0.7
56.96559	0.8
57.03427	0.6
65.03934	1.7
68.05005	0.9
70.06557	0.6
70.53859	0.6
70.54185	2.2
75.01893	0.9
79.05494	14.6
80.05012	1.2
81.03404	2.0
82.06577	0.7
84.02425	0.6
84.99251	0.7
85.02890	1.0
89.03915	0.8
94.06506	0.9
95.04963	3.8
95.18500	0.6
96.08121	0.9
97.07640	1.3
99.95975	0.6
106.06558	22.3
107.04954	100.0
107.08611	0.8
108.04468	0.7
108.05283	2.4
109.02883	8.5
109.05139	0.9
110.03558	2.9
110.06068	1.2
110.07140	0.6
111.04436	2.2
115.08932	1.1
119.01814	1.4
121.01625	0.7
122.05978	0.9
123.04397	4.2
124.01916	0.9
124.05173	0.9
124.07555	1.4
124.51990	0.7
125.05994	3.1
128.04579	1.3
133.02367	0.7
133.03354	0.7
134.05052	0.5
134.06012	26.1
135.03140	2.0
135.04414	61.1
136.04770	2.2
137.02328	2.9
138.03134	4.8
150.05495	0.6
152.01646	1.5
152.05695	27.0
152.07072	73.7
152.11790	1.0
153.04094	9.5
153.05475	22.2
153.07426	1.5
153.41383	0.7
154.02477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02567	4.0
53.03949	9.4
54.03457	8.0
55.01875	9.8
55.05502	20.9
56.05026	18.1
56.48312	4.0
56.96563	6.8
57.03437	6.9
57.04554	5.3
57.07064	6.3
58.06583	7.5
58.99851	9.6
59.05000	6.6
60.04523	13.2
61.02932	4.8
62.15024	4.8
65.03941	40.3
66.03454	5.9
67.02965	6.6
67.05509	21.5
68.05036	40.6
69.03425	19.7
69.04551	9.0
69.07056	12.8
70.06597	53.4
70.94257	21.4
70.95863	6.6
71.02969	8.4
71.04980	7.0
71.57854	8.6
73.02901	5.1
75.86314	4.2
77.00921	8.4
79.01841	4.4
79.05499	31.0
80.05019	15.9
81.01089	5.1
81.03455	24.5
81.04540	16.7
81.07056	21.3
82.01429	9.5
82.06575	20.5
83.04984	12.4
83.06123	39.2
84.04489	13.0
84.08128	17.1
85.02917	8.1
88.51685	16.9
88.95299	11.0
89.51593	6.1
90.01620	10.0
91.05473	15.4
92.05016	5.1
93.03408	20.0
93.04504	4.8
93.07043	18.4
93.53483	5.3
94.06579	36.4
95.01949	8.5
95.04971	18.7
95.06088	29.2
95.07372	10.0
95.08607	11.5
96.04471	10.9
96.05604	6.0
96.06862	9.5
96.08134	50.4
96.08732	6.1
96.08935	4.9
97.02880	14.6
97.06473	15.2
97.07653	57.5
99.53416	6.3
100.02479	92.6
100.52476	4.3
101.00844	5.3
101.02531	26.4
101.52441	22.5
102.02245	28.5
103.02444	16.3
104.01987	6.1
105.00377	9.2
105.07072	7.0
106.00454	11.6
106.01714	9.0
106.06567	11.5
106.52427	6.1
107.00131	6.1
107.04961	22.7
107.06088	15.8
107.08577	24.3
108.04482	10.7
108.08141	15.1
109.02895	9.5
109.06501	9.3
109.07647	98.7
109.08345	8.6
109.10159	11.6
109.52193	46.5
110.02240	6.2
110.03662	8.0
110.06046	13.7
110.07168	15.8
110.08466	7.7
111.04442	92.3
111.05546	16.3
111.08024	6.9
111.09218	46.5
111.96875	17.9
112.06295	5.5
112.09970	25.9
113.03260	4.9
113.05869	22.9
113.53149	7.0
116.98656	7.9
117.02782	5.7
117.03973	8.0
117.51941	7.6
118.03522	88.5
119.01911	78.5
119.03619	24.0
119.53159	7.7
119.55016	9.4
120.03271	19.5
121.01684	5.3
121.03571	9.7
122.03009	11.1
122.07174	10.6
123.01583	4.7
123.04040	5.2
124.02728	10.0
124.03913	6.6
124.07590	23.3
124.08588	9.4
125.05988	39.8
125.07101	13.0
125.10751	10.6
126.52468	5.5
129.02042	24.9
129.04013	61.0
129.55264	6.0
129.97913	18.8
130.01712	10.9
131.01903	6.8
133.03459	7.7
134.03004	11.5
134.06094	9.2
134.07123	19.3
134.99690	13.3
135.03249	6.5
135.04370	12.2
135.05527	9.0
135.08133	8.1
135.09180	55.5
135.11662	10.1
136.04512	6.8
137.02948	38.3
137.50046	23.9
138.52432	30.9
140.53600	5.7
141.05096	10.8
142.03473	36.9
145.03474	7.6
146.03023	10.2
146.52188	6.9
146.97478	7.0
146.99663	5.1
147.01477	26.3
147.02405	5.0
147.03131	24.8
147.05074	100.0
147.52998	17.2
148.01527	5.3
148.02705	10.3
148.05183	5.7
149.00819	22.1
150.00784	7.0
150.03256	9.5
150.06216	12.5
152.01671	22.6
152.03459	14.0
152.05801	8.3
152.07059	41.8
152.08182	48.5
152.09251	9.1
152.10710	10.7
152.11829	94.3
153.05458	24.5
153.07733	8.1
153.09100	11.0
153.11346	10.6
153.12701	12.1
154.03532	7.1
158.03009	7.8
160.04567	19.3
161.02979	14.3
165.02463	7.8
165.04279	6.5
165.06136	8.8
169.03438	6.0
170.02974	12.1
170.06714	12.5
172.04631	8.0
173.03014	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	151.1118
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03943	4.0
53.85613	0.5
55.01865	1.2
55.05510	100.0
55.89950	0.5
56.05037	0.6
56.05844	2.4
56.96569	2.4
57.03435	1.2
57.07070	2.4
59.05007	2.7
61.02925	0.8
65.03935	1.8
67.05504	21.7
68.05020	2.2
68.95285	0.9
69.03420	2.8
69.04541	0.5
69.07069	3.7
71.04976	0.6
71.38638	0.6
71.38958	0.5
73.02898	0.8
79.05060	0.7
79.05492	9.0
80.05013	0.5
81.03416	0.8
81.04552	0.5
81.07056	36.6
82.07398	0.8
83.04996	0.9
83.06100	1.7
85.06532	1.0
91.05482	7.4
91.91171	0.5
93.06470	0.8
93.07043	10.1
94.04137	0.5
95.04970	12.1
95.05975	0.6
95.08045	1.0
95.08607	10.4
96.04491	0.5
96.08140	1.3
96.08940	0.6
97.06531	18.2
97.07602	1.2
98.97636	1.2
105.07027	13.0
106.06571	0.6
107.04961	1.2
107.08595	17.6
108.05685	0.5
109.06522	16.1
109.07659	2.0
109.10155	30.7
110.01253	0.9
110.06013	0.6
110.07193	3.9
110.10481	0.9
111.07955	6.6
116.98595	0.8
119.01788	2.0
119.06081	0.7
121.10152	1.9
121.61539	0.5
122.07281	0.6
123.04428	3.0
123.08088	6.0
123.11707	15.0
124.07626	0.9
124.08675	0.9
124.12053	0.6
125.07145	0.5
128.02272	1.4
130.52556	0.7
133.06506	0.9
133.10129	7.9
134.07106	0.8
134.99614	0.9
135.04388	1.1
136.08833	1.0
137.02882	1.1
146.99634	1.1
147.89743	0.5
149.16472	0.4
151.02847	0.9
151.03879	4.6
151.05013	1.0
151.06328	0.9
151.07559	4.2
151.09830	3.5
151.11176	33.0
152.01663	1.2
152.03352	0.7
152.05702	1.0
152.07036	2.6
152.08174	1.2
152.11572	1.7
156.18060	0.5
160.32137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03948	2.2
54.03450	0.5
55.01859	1.2
55.05497	0.5
56.01398	0.9
56.05029	1.6
56.96563	5.6
57.03422	1.7
58.06597	1.0
59.05016	0.4
59.07375	0.7
60.04512	1.2
61.02914	1.5
65.03946	3.5
66.04263	1.2
67.05502	14.1
68.05031	2.8
69.03433	1.3
70.06591	1.1
71.23872	0.5
72.04507	1.3
72.93795	2.5
73.02924	2.0
74.02439	7.4
74.06062	0.7
75.03206	0.9
75.05598	1.4
76.04012	2.3
77.00764	0.4
79.05487	3.0
80.05017	1.1
81.03402	1.1
81.04533	0.4
81.07043	1.8
82.06568	1.8
83.00781	0.4
83.06107	0.8
84.04477	0.4
84.08117	2.4
85.02895	1.4
86.06069	0.5
87.05595	0.6
88.03985	1.2
89.00780	0.8
89.06079	0.4
90.94813	1.9
91.05022	0.4
91.05492	5.2
93.05769	0.9
93.07042	1.0
94.06566	38.4
95.04969	3.8
95.06091	1.5
95.06865	0.6
95.08582	1.0
96.01554	1.0
96.04501	1.2
96.08109	0.7
97.02860	1.2
98.01276	0.8
98.97569	2.7
101.58266	0.4
102.01882	2.5
102.05531	0.5
102.98115	0.4
103.05054	0.5
104.01289	1.0
104.04939	0.5
104.07108	0.8
104.56015	0.7
105.07027	3.1
106.06554	11.8
107.01865	0.6
107.06089	0.7
107.08580	1.5
108.04436	0.7
108.05664	0.6
108.06917	0.4
108.95804	0.7
109.02829	0.4
109.05191	0.5
109.06502	1.5
109.07643	7.2
109.10145	0.6
110.01289	1.9
110.06060	0.5
110.07252	0.5
110.08428	9.0
111.07960	0.6
112.04776	0.5
112.07639	0.6
114.05518	0.5
115.68580	0.5
116.00279	0.5
116.98620	1.8
119.01794	4.2
119.04944	2.1
120.04341	0.4
121.02879	0.9
121.52076	0.6
122.03210	4.6
122.06029	43.8
122.09629	0.5
122.59721	0.5
123.04415	1.1
123.05524	1.0
123.06349	1.9
123.08000	3.2
123.09179	5.2
123.11610	0.5
126.59476	1.2
127.03959	0.6
127.07017	0.6
127.08861	1.3
128.02313	3.3
130.52621	0.5
132.04448	3.7
132.06548	1.7
133.05055	1.8
133.06563	0.4
133.07597	1.9
133.10123	0.6
134.99632	1.8
137.02831	1.4
146.99643	0.8
148.03894	0.6
149.96107	0.7
150.02765	11.5
150.05502	100.0
150.07733	24.8
150.09094	4.1
150.10255	13.6
150.96848	0.8
151.02838	0.7
151.03990	2.9
151.05948	3.2
151.07416	3.4
151.08658	0.7
151.09755	0.7
151.11125	1.3
152.03304	0.9
158.01270	0.6
168.06548	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03933	1.1
55.01876	1.4
55.05502	3.3
65.03606	1.5
65.03941	29.3
66.04275	0.7
67.05507	8.0
68.99807	0.7
69.07070	5.8
70.76825	1.8
73.26170	0.7
79.05495	14.3
81.06579	1.4
81.07057	23.1
85.84886	0.9
91.05491	7.0
93.03408	9.5
93.06467	1.5
93.07049	24.8
94.07370	1.0
95.04942	1.9
95.08602	4.2
98.03674	1.2
103.05456	2.2
105.04511	0.9
105.07029	4.3
107.04955	1.8
107.08597	19.4
108.04465	1.1
109.06535	0.9
111.04449	5.8
112.80220	0.8
116.06232	1.1
118.37602	0.7
119.08560	1.3
121.02870	38.3
121.03966	8.6
121.06467	4.2
121.10152	9.8
122.03210	2.4
122.06023	2.5
122.07114	1.1
131.04933	2.7
131.08556	0.8
131.93810	0.7
144.45056	0.7
149.02348	100.0
149.05981	4.1
149.08475	1.3
149.09621	6.8
149.13263	20.4
150.02669	7.3
150.03711	1.4
150.05507	3.3
150.06601	0.8
150.09042	1.1
150.13637	1.5
163.03876	0.7
167.03406	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	1.6
55.01873	2.7
55.05514	4.2
58.25565	0.8
65.03945	26.8
67.05505	9.6
69.03436	1.1
69.07063	4.7
79.00921	0.7
79.05065	1.3
79.05497	19.5
81.06580	1.3
81.07064	25.8
82.07366	0.7
83.08620	1.5
83.75597	0.7
85.77845	0.8
91.05478	9.0
93.03419	7.6
93.07047	30.2
94.06565	1.1
95.04967	2.9
95.08588	4.3
98.03677	2.1
98.20706	1.4
102.05825	0.9
103.05450	2.2
105.04551	1.1
105.07030	4.4
107.04965	14.0
107.08601	24.3
108.04500	0.8
108.05263	0.9
108.08937	1.3
109.06529	1.0
109.38786	0.7
111.04462	5.9
120.05755	1.8
121.02874	39.0
121.03976	7.3
121.06510	3.0
121.10154	8.6
122.03195	2.2
122.06049	1.6
122.07204	1.0
131.04950	2.0
131.08607	1.3
132.04451	1.8
149.02354	100.0
149.06001	2.4
149.08368	1.2
149.09633	13.3
149.10735	1.4
149.13261	22.9
150.02693	7.2
150.03741	2.6
150.05504	3.3
150.07780	1.0
150.09038	1.2
150.10129	1.3
150.13599	2.1
156.42709	0.8
163.03911	1.5
167.03416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.56597	0.7
51.71804	0.8
53.03934	1.5
54.29936	0.7
55.01870	1.2
55.05500	4.2
56.35025	0.6
57.11249	0.7
58.04814	0.9
63.25179	0.6
65.03608	1.5
65.03945	27.8
66.04250	1.2
67.05507	15.3
69.07070	7.6
70.73899	2.3
79.05061	1.2
79.05496	18.9
80.05858	1.0
81.07059	37.5
82.07384	1.2
83.08625	2.1
91.05486	9.1
93.03404	6.6
93.07049	36.8
95.04961	2.8
95.08607	5.0
98.03669	1.4
103.05461	2.6
105.07037	4.7
107.04943	0.9
107.08603	29.2
108.08937	1.5
109.01104	0.8
109.06511	1.2
111.04462	6.5
119.08603	0.8
119.89673	0.8
121.02874	40.4
121.03978	9.0
121.06512	3.6
121.10139	11.1
122.03218	2.5
122.06064	2.1
122.07155	1.1
128.22798	0.7
131.04915	2.0
131.08572	1.2
132.04405	0.8
149.02356	100.0
149.06000	2.8
149.08478	1.1
149.09625	6.6
149.13268	33.1
150.02675	7.0
150.03778	2.7
150.05492	3.9
150.09117	1.0
150.13635	2.5
167.03424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03946	2.0
55.05509	2.1
65.03942	6.4
67.59511	1.0
70.70613	1.7
78.31606	0.9
79.05499	11.0
81.07061	1.3
83.13994	0.9
89.03915	1.0
91.05485	20.7
92.05795	1.0
93.03425	2.4
93.06473	1.4
93.07050	24.9
95.04974	3.8
98.03609	1.0
103.05478	4.0
105.07030	22.7
106.07837	2.0
107.08592	3.9
109.06510	2.0
111.04424	1.5
115.05423	1.7
116.06226	6.2
119.08591	3.8
121.02870	9.0
121.03965	2.5
121.06515	4.6
121.10149	25.1
121.49415	0.9
122.05982	1.1
122.10503	1.0
123.08076	3.9
129.06998	1.7
131.04927	1.0
131.08562	6.7
133.07587	2.0
133.86551	0.9
134.07303	1.2
135.89746	0.9
149.02339	23.9
149.03477	1.6
149.05954	2.6
149.09625	100.0
150.02637	1.2
150.09991	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	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
56.05032	4.2
61.42613	0.4
65.03942	1.0
69.75822	1.1
69.76255	1.7
78.79577	0.5
84.04507	100.0
84.08150	0.5
85.02923	2.5
85.04861	2.4
85.08487	0.5
98.21471	0.7
102.05546	20.8
103.05917	0.7
113.44633	0.4
121.02898	2.0
130.05002	13.1
130.05943	0.9
131.05338	0.7
148.06058	2.6
149.02342	5.4
168.72208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.6
51.02362	0.7
53.03933	1.7
55.01860	2.2
55.05510	0.7
56.05038	1.2
56.96566	3.4
57.03398	0.6
58.06606	1.4
59.06106	1.2
59.07372	0.5
60.04525	0.8
65.03939	33.3
66.04251	0.9
67.05488	2.0
68.05017	1.1
69.77950	3.5
71.23933	0.6
72.04517	0.6
74.02446	3.2
74.06075	0.7
76.03966	1.0
79.05490	21.8
81.07025	0.9
81.26044	0.5
82.06582	0.6
83.06072	0.9
83.08636	0.5
84.04498	1.1
84.08154	1.1
85.02915	0.6
85.04024	1.7
85.04826	1.9
87.05573	0.8
88.07600	0.8
91.05472	10.1
93.03407	8.3
93.07042	25.8
94.06564	3.5
95.04965	4.4
95.06050	1.0
98.03667	1.6
102.01904	0.8
103.05462	50.2
104.05026	1.1
104.05806	1.7
105.04510	1.0
105.07040	2.8
106.06500	0.7
107.04955	14.0
107.06095	0.7
107.08596	1.6
109.06482	2.1
109.07644	2.9
110.08398	4.7
111.03806	0.9
111.04451	8.5
115.05027	0.8
119.01921	1.1
120.44500	0.5
121.02862	47.2
121.03963	9.4
121.06496	16.5
121.10145	2.4
122.03185	1.4
122.06018	3.5
122.06982	1.0
123.07909	2.9
123.09202	1.7
126.59486	1.2
131.04932	6.8
131.08527	1.0
132.04443	1.7
133.06586	0.6
133.07588	0.8
149.02341	100.0
149.05974	8.9
149.07101	1.3
149.08223	2.0
149.09587	4.9
149.11559	6.2
149.13252	1.2
150.02719	4.7
150.03745	1.2
150.05505	7.3
150.06525	0.7
150.07771	5.7
150.09125	2.3
150.10211	5.7
157.78210	0.6
167.03430	2.3
169.03461	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	0.7
55.01868	1.0
56.96559	0.7
57.08118	0.6
63.57874	0.7
64.92807	1.8
65.03940	2.4
69.03457	1.1
69.84763	1.3
69.85181	2.6
79.05491	2.0
84.04517	1.0
85.02895	1.0
91.05483	100.0
92.05816	3.1
95.04979	0.7
103.05451	2.3
104.06259	2.8
105.07048	4.9
107.04959	14.5
115.05457	16.9
116.06310	1.4
117.07033	14.0
118.07352	0.9
119.04948	18.2
119.08582	15.6
123.96457	5.4
128.06195	1.6
129.06989	2.0
131.04909	2.8
132.05717	14.4
135.08061	5.4
138.32445	0.6
145.06476	2.0
146.98093	0.9
147.04399	11.8
147.05553	4.6
147.08049	87.1
147.11716	2.1
148.03931	2.2
148.04980	0.8
148.08478	4.3
151.08704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1128
Annotation	L-Lysine
Peak:m/z	Relative Intensity
51.83680	0.5
56.05033	2.3
60.92831	0.4
62.09700	0.4
67.05504	1.0
69.92914	2.4
72.53962	0.4
84.08144	100.0
84.36865	0.4
85.06561	0.7
85.08479	2.4
91.05455	1.0
92.65732	0.4
108.88831	0.4
119.04960	1.3
129.10316	0.4
130.08644	17.7
147.04405	1.9
147.11316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.02356	0.6
53.03931	1.2
55.05511	9.6
65.03934	2.1
67.05504	3.0
69.07061	5.6
69.58253	3.9
77.03930	0.6
79.05495	6.2
81.07053	1.3
81.69770	0.5
84.04500	9.3
84.08111	0.6
88.07590	0.5
91.05480	47.1
92.05814	2.3
93.07056	2.9
95.04967	0.7
98.20783	1.0
102.05537	1.7
103.05461	3.4
105.07030	100.0
106.07312	5.0
107.08612	4.4
116.06261	1.3
117.07018	8.6
119.04948	18.0
119.08581	98.7
120.04456	1.4
120.05251	1.1
120.08923	5.5
123.96446	1.6
129.07024	1.2
130.05017	2.4
130.08641	0.6
131.08592	1.5
132.09375	3.2
133.06480	0.6
145.10129	5.4
147.04436	14.1
147.05522	1.6
147.08044	5.6
147.11687	82.4
148.03873	3.4
148.04930	0.6
148.06020	0.8
148.07516	1.0
148.08658	1.4
148.12048	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	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.5
64.92802	0.9
65.03939	7.0
66.62057	0.5
69.87377	2.3
84.04510	2.0
84.08157	0.7
91.05484	77.6
92.05014	0.7
92.05822	2.7
94.39722	0.5
102.05549	0.7
103.05446	0.8
105.07031	2.5
108.87706	0.5
113.95873	0.5
114.60020	0.5
119.04948	100.0
119.08570	4.7
120.04515	0.9
120.05287	4.7
123.96465	1.4
127.97246	0.6
134.63689	0.5
147.04414	57.9
147.05313	2.2
147.08084	1.8
147.11707	2.5
148.04842	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03937	0.6
55.05514	0.8
56.96565	1.2
58.64899	0.7
64.92793	1.1
65.03944	6.1
67.05508	0.7
69.26189	2.5
69.26610	3.3
79.05457	0.6
84.04522	2.8
91.05482	81.5
92.05802	3.3
95.04955	0.9
103.05437	0.9
105.07043	5.4
107.08584	0.5
109.94196	0.7
119.04945	100.0
119.08584	7.3
120.04530	0.9
120.05285	5.1
123.96459	2.4
129.07025	0.8
147.04419	60.1
147.05435	3.4
147.08041	3.1
147.11710	5.9
148.03876	1.7
148.04816	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60234	0.6
56.96562	0.8
63.02386	0.6
65.03945	6.0
69.75987	3.3
69.76412	1.4
84.04505	2.9
84.08144	0.7
87.68958	0.7
91.05482	76.7
92.05808	1.8
95.04967	0.7
105.07037	4.3
119.04945	100.0
119.08571	5.1
120.04465	1.4
120.05225	5.0
123.96439	1.4
147.04414	57.5
147.08031	1.2
147.11682	4.9
148.04814	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05511	2.4
56.96568	16.7
63.26889	0.6
64.92790	1.3
65.03941	6.4
67.05505	6.9
69.07070	1.0
70.19514	2.3
79.05499	1.6
80.24552	0.6
81.07056	1.5
84.04503	6.7
84.08147	0.8
85.02900	1.0
90.27174	0.7
91.05481	83.5
91.38251	0.7
91.66825	0.6
92.04972	0.9
92.05793	3.4
93.07043	0.9
97.99170	1.5
98.74271	0.7
102.05533	1.4
103.05479	2.2
105.07027	11.1
109.10158	4.8
115.04176	0.7
116.00222	2.0
117.07031	1.7
119.04945	100.0
119.06812	2.2
119.08575	14.3
120.04492	1.6
120.05294	4.5
122.11920	0.7
123.96481	3.2
124.04659	2.7
126.54853	0.8
129.06975	1.2
130.02916	0.9
130.05028	2.1
145.10129	0.8
147.04419	65.0
147.05478	4.6
147.08028	7.9
147.09120	1.0
147.11691	9.1
148.03931	3.0
148.04857	2.3
148.07547	1.1
148.08539	0.8
156.17656	0.6
162.90266	0.7
164.46545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05510	1.2
56.05023	1.6
56.96550	1.7
57.03426	1.3
58.12913	1.1
60.67664	1.0
64.92797	2.4
65.03931	6.7
70.31665	0.9
70.76595	2.3
70.76976	1.5
73.81652	1.0
77.58559	1.1
84.04512	3.7
84.08131	1.2
91.05479	86.5
92.05821	3.9
95.05019	1.5
103.05469	2.5
104.24238	0.9
105.07035	15.0
117.07034	2.5
119.04940	100.0
119.08582	18.5
120.04485	2.5
120.05312	5.3
123.96449	7.6
129.07010	3.1
132.09331	1.3
145.10147	1.2
147.04425	66.5
147.05524	8.4
147.06834	2.0
147.08018	11.8
147.11665	10.8
148.03757	6.5
148.04935	2.2
148.07559	1.7
160.63927	1.0
166.84966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.50866	0.6
52.43774	0.7
52.87110	0.7
55.01868	0.8
55.05498	1.7
56.96558	1.5
64.92796	1.7
65.03938	6.0
67.05500	1.1
67.94836	0.7
69.07057	1.3
71.59365	1.0
75.10654	0.8
79.05502	0.9
84.04497	6.5
84.08153	1.0
85.02880	1.0
85.73305	0.8
91.05480	84.0
92.05815	2.8
93.07042	0.8
95.04968	1.0
102.05534	0.7
103.05493	1.2
105.04501	0.8
105.07034	12.0
107.08550	0.9
117.07001	1.9
119.04942	100.0
119.06819	2.3
119.08578	17.6
120.04472	1.4
120.05291	4.8
123.96493	1.6
130.05016	1.5
131.08588	0.8
132.09418	1.2
145.10106	1.8
147.04419	65.3
147.05516	5.7
147.08035	5.8
147.11684	14.6
148.03810	1.4
148.04797	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
64.92812	0.2
64.93919	0.2
65.03940	0.5
69.32044	0.6
69.32455	1.7
71.04980	0.3
82.06570	0.4
84.04505	0.3
86.06065	0.3
91.05482	24.0
92.05808	0.4
99.04420	0.3
100.04774	0.6
100.07611	1.1
105.07049	1.1
108.67056	0.2
109.06537	0.3
117.05769	3.8
118.06545	100.0
119.04950	9.1
119.06862	3.9
119.08560	1.5
123.96449	0.4
128.07057	0.5
133.64146	0.2
143.20802	0.2
146.06015	19.5
146.08026	0.9
146.10507	0.3
147.04430	6.2
147.05450	0.3
147.06371	0.9
147.08072	0.6
147.11659	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Stachydrine
Peak:m/z	Relative Intensity
52.46083	0.5
53.03942	1.0
55.01860	1.2
55.05523	1.9
55.95474	0.3
56.05026	0.5
57.03431	2.4
57.07068	1.1
57.30532	0.4
58.06603	11.3
59.06124	0.6
60.04509	1.1
60.08171	2.3
61.02922	0.7
67.05507	1.9
68.02643	0.4
69.03440	3.0
69.59795	1.5
69.60227	1.6
70.06594	2.7
71.01346	0.7
71.05003	4.4
72.04492	0.4
72.08147	1.6
73.02906	1.2
74.06077	0.5
81.03419	1.6
84.04507	1.6
84.08146	13.7
85.02908	7.1
85.06544	5.0
86.06056	0.4
88.07627	0.4
96.04520	0.3
97.02898	2.5
98.06070	4.5
98.09698	4.2
99.04456	9.4
100.02474	0.9
101.02547	0.7
102.02260	0.7
102.05546	2.0
102.52476	0.5
103.02374	0.7
111.02952	0.5
114.09160	1.5
115.03909	0.4
116.10728	0.3
118.03510	0.7
119.01894	1.0
119.03603	0.4
120.02058	1.0
120.03273	0.6
121.01671	1.6
121.03526	0.7
123.03843	0.5
127.03917	2.5
131.01895	0.4
133.03404	0.4
138.03078	0.4
139.01796	0.8
142.03534	0.7
143.03607	0.7
144.03801	3.0
144.06557	2.7
144.10204	100.0
144.13820	3.8
145.04982	1.1
145.10583	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.03936	0.8
53.83027	0.6
56.05041	1.2
59.06118	0.9
60.04567	0.8
62.57674	0.6
65.03945	1.0
70.06567	0.6
70.75232	1.7
71.05001	0.8
72.08150	2.3
75.05560	0.7
84.04501	2.0
86.06060	2.0
91.05477	22.3
100.04797	3.0
100.07594	1.5
103.05455	0.7
105.06990	0.7
117.05731	4.2
118.06540	96.2
119.04952	5.9
119.06844	5.3
121.92079	0.7
123.96428	1.3
128.04968	19.8
129.05318	1.1
129.06628	0.8
129.10222	1.5
137.98407	0.7
146.06009	100.0
147.04456	4.4
147.06412	4.3
156.45679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24388	19.1
66.66830	20.0
68.56873	18.4
70.80468	30.4
70.80806	26.6
80.48309	17.1
82.91009	18.5
119.01944	73.2
137.02985	52.5
138.15916	17.7
142.03516	42.2
143.03419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.5
55.05499	3.8
56.05040	15.5
56.96565	4.1
57.03425	3.5
57.04564	2.9
58.06601	5.2
59.06132	14.6
60.04526	15.2
68.05032	11.2
68.99809	5.9
69.03426	11.2
70.06583	6.2
70.27015	14.7
74.06068	7.2
75.04487	4.1
81.04521	3.5
83.06116	20.5
84.04504	11.3
84.08157	3.5
85.02893	3.5
85.07681	3.7
86.06037	5.1
86.08474	4.7
87.27834	2.7
97.02904	10.0
97.07663	13.0
98.06062	4.2
99.05568	7.3
100.02506	8.6
101.00890	9.9
101.07150	7.2
103.01359	3.2
105.97754	2.9
112.08759	3.5
114.52172	6.5
118.03522	10.3
118.96846	4.8
119.01916	94.6
124.08676	4.7
124.55633	3.2
125.02361	19.8
125.07148	8.5
131.01909	4.1
136.04620	6.2
137.02962	42.4
141.14249	3.2
142.03493	35.5
142.08643	7.8
142.09726	35.2
143.03391	100.0
160.04549	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03950	0.4
64.49518	0.2
65.03930	0.9
67.05495	0.8
69.39136	0.7
69.39555	1.6
73.09779	0.2
84.17628	0.3
86.24882	0.2
91.05448	0.3
92.05000	2.1
92.05492	0.2
92.05824	0.4
93.05764	0.4
93.07056	0.9
94.06571	12.5
95.06902	0.4
96.04503	2.1
98.98407	0.2
103.05470	0.3
110.06049	10.5
111.04446	0.8
120.05243	0.3
121.06521	5.7
138.05505	100.0
139.05879	3.3
145.52356	0.2
154.04962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
54.03457	1.6
55.01857	1.5
55.05512	4.4
56.05043	7.6
56.96559	3.4
57.03447	1.5
57.04556	1.0
57.05382	1.3
57.07065	1.4
58.02951	2.0
58.06592	3.8
59.05002	15.9
59.06128	10.6
59.93091	1.6
60.04528	4.3
62.78060	0.8
65.03925	1.1
67.05508	5.2
67.93559	1.0
68.05020	3.3
69.03400	2.1
69.07073	1.1
69.85761	0.7
70.06588	3.1
70.26575	3.0
71.04994	1.8
71.06111	2.8
72.04504	4.1
72.08172	1.1
73.04047	1.0
73.06558	2.1
74.06057	1.6
75.05602	1.2
79.05492	27.3
80.05817	1.0
81.03419	1.5
81.04541	2.7
81.07059	100.0
82.02937	1.0
82.06577	1.8
82.07426	2.0
83.06099	10.9
83.08636	1.4
84.04499	4.8
84.05636	2.0
84.08150	1.5
85.02917	0.9
85.06550	6.9
85.07664	2.2
86.06084	1.9
86.08448	3.6
95.01331	1.2
95.04964	2.9
95.06081	2.5
95.08608	5.0
96.04486	1.3
96.05618	1.4
96.06372	1.1
96.08134	1.6
97.02891	1.2
97.06524	2.3
97.07648	3.7
98.07181	7.1
98.21370	1.2
98.97579	1.6
99.05577	10.5
99.07496	2.2
99.08073	5.3
99.09222	2.5
100.07639	1.0
100.08752	6.1
101.07158	6.1
109.06519	54.4
110.06833	2.0
111.09195	2.8
112.08743	3.3
113.02371	5.0
113.07092	1.2
113.09608	1.5
115.08687	1.4
116.98618	2.5
117.98952	1.2
118.03500	1.1
118.96759	3.4
119.01910	1.1
123.04407	2.0
123.08109	2.5
123.09189	1.2
124.05045	1.3
124.05862	2.2
124.07605	1.1
124.08710	1.5
125.03506	1.4
125.07101	3.5
134.99669	1.9
135.99986	1.8
141.01836	12.0
141.05452	5.0
141.06760	3.1
141.09222	19.1
141.10234	2.4
141.11349	3.4
142.05016	2.8
142.06027	1.4
142.08702	1.5
142.09741	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01874	2.1
55.05518	5.3
57.03413	1.0
57.07059	2.9
65.03928	4.4
67.05505	51.5
68.05036	1.6
68.05836	1.4
69.03422	2.9
69.04545	1.3
69.07069	4.7
69.99178	2.2
69.99592	2.9
72.04517	1.4
77.03904	1.4
79.05489	9.8
81.03411	3.2
81.04529	3.5
81.07059	43.7
82.06578	1.4
82.07383	1.7
83.04979	2.7
83.06097	2.3
91.05482	71.5
92.05818	3.3
93.07037	11.3
94.04183	3.4
94.06577	1.7
95.04973	14.9
95.06074	1.7
95.08606	33.8
96.05630	1.7
96.08955	0.9
97.06406	4.8
97.07694	1.8
98.04814	1.2
104.06279	1.0
105.04502	1.2
107.04954	12.2
107.08590	4.0
108.05729	1.3
109.06522	46.0
109.10159	48.4
110.06072	2.3
110.07248	5.2
110.07853	1.1
110.10486	3.0
111.05554	1.5
117.07027	2.6
119.04948	21.1
119.06105	2.1
119.08581	13.5
120.05412	1.4
120.08910	1.0
121.06512	7.0
122.03666	3.0
122.07287	46.7
123.07590	1.6
135.08072	1.1
135.22971	0.9
137.02486	6.4
137.05984	37.7
137.08266	4.1
137.09619	100.0
137.13226	6.0
138.01726	2.0
138.05504	8.4
138.06557	4.2
138.09111	1.8
138.10089	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
54.03465	2.9
55.01862	3.9
55.05512	7.3
56.05032	1.7
57.03429	1.4
57.07075	3.0
63.65619	1.4
65.03947	6.9
65.22745	1.2
67.05506	64.8
68.05038	1.5
68.05824	1.5
69.03424	4.8
69.04551	4.2
69.07061	6.0
71.34518	2.9
72.04511	2.8
77.03911	1.7
79.05498	11.2
81.03409	3.7
81.04539	11.0
81.05821	1.4
81.07057	59.2
82.06592	2.4
82.07429	1.4
83.04960	2.6
83.06110	3.9
91.05479	65.3
92.05818	2.6
92.50683	1.1
93.07044	12.2
94.02901	1.8
94.04184	4.4
94.06559	2.5
94.63325	1.3
95.04965	16.1
95.06113	3.0
95.08610	46.7
95.09225	2.4
96.04470	1.8
96.05639	2.9
96.08928	1.4
97.06417	12.0
97.07636	2.3
98.04816	3.0
103.05428	1.6
105.07076	2.0
107.04955	10.5
107.08604	12.3
109.06521	56.8
109.10155	52.4
110.06049	2.7
110.07208	8.8
110.07839	1.2
110.10484	2.7
111.05575	4.3
117.07021	3.9
119.04955	13.8
119.06068	3.6
119.08581	17.5
120.04488	1.5
120.05567	2.7
121.06512	6.6
122.03647	4.0
122.07289	46.2
122.08176	2.5
123.07645	2.1
124.03939	1.3
137.02460	6.2
137.05992	33.7
137.07083	2.8
137.08217	11.4
137.09622	100.0
137.13210	5.7
138.05504	12.7
138.06604	8.1
138.09111	3.4
138.10130	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74328	0.5
53.03943	1.5
55.05509	2.3
57.07072	1.5
60.64079	0.6
65.03925	1.9
67.05504	21.3
69.03429	0.9
69.07056	1.7
70.17420	3.1
79.05504	3.9
81.04533	1.0
81.07055	16.9
90.87104	0.6
91.05476	16.3
93.07035	5.5
94.04163	0.9
95.04937	3.0
95.08611	15.5
97.06396	1.2
103.05482	0.9
107.04963	11.6
107.08600	1.5
109.06518	2.4
109.10154	29.3
110.07179	1.6
110.10488	1.3
110.53258	0.5
111.05580	0.6
117.07036	1.5
119.04951	2.7
119.08570	12.7
120.04417	0.7
121.06490	5.4
122.03645	1.9
122.07285	70.5
123.07632	1.9
135.08055	2.8
137.02464	2.0
137.05974	8.7
137.09615	100.0
137.13223	2.1
138.05513	4.1
138.06497	1.1
138.09102	0.5
138.09981	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03943	2.6
55.01872	2.0
55.05515	5.1
57.03442	0.9
65.03947	6.9
67.05505	44.2
68.05019	0.7
68.05864	1.0
69.03429	3.4
69.07055	2.6
70.00201	3.6
79.05492	7.5
81.03413	3.4
81.04522	1.6
81.07061	25.9
82.06574	0.7
82.07382	0.9
83.04977	1.9
91.05482	100.0
92.05793	3.7
93.07045	6.3
94.04181	2.3
94.07838	0.9
95.04967	12.4
95.06097	0.6
95.08607	14.9
97.06403	2.2
97.07713	0.7
105.04530	0.9
107.04962	13.7
107.08606	4.3
107.54137	0.7
108.05740	1.4
109.06523	47.3
109.10156	43.3
110.07105	1.1
110.10512	1.7
111.05592	0.8
117.07013	3.0
119.04949	28.7
119.05940	1.3
119.07780	1.2
119.08572	12.7
120.05369	0.8
121.06528	4.0
122.03645	1.0
122.07290	52.1
123.07624	2.3
135.08066	2.3
137.02415	2.2
137.05984	45.7
137.09618	96.2
137.13232	1.9
138.05479	2.6
138.06445	2.5
138.09970	4.2
142.58199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03944	1.0
55.05504	1.6
57.07076	1.1
63.20080	0.6
65.03953	3.1
65.48657	0.7
67.05508	20.9
67.96313	0.7
69.03433	0.9
69.07055	2.1
70.52048	2.6
76.38702	0.6
79.05500	3.3
81.04530	1.2
81.07062	17.5
86.49649	0.7
86.89684	0.6
89.91652	0.6
91.05486	38.5
92.05815	1.2
93.07059	5.2
94.04216	1.0
94.06599	0.8
95.04975	3.8
95.06066	0.8
95.08613	14.6
97.06394	1.7
103.05480	0.8
107.04968	9.9
107.08612	2.1
109.06536	4.1
109.10163	29.5
110.06062	0.8
110.07166	2.3
110.10503	1.7
117.06944	0.7
119.04954	12.0
119.08595	11.7
120.04480	0.6
120.05367	0.7
121.06507	7.4
122.03696	1.4
122.07293	61.7
123.07627	2.2
135.08052	2.6
137.02470	1.7
137.05997	23.0
137.09622	100.0
137.13261	2.3
138.05502	3.7
138.06580	2.3
138.09972	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03938	2.7
54.03451	1.4
55.01864	2.6
55.05508	5.8
56.05008	1.1
57.03434	1.5
57.07064	3.7
65.03934	5.3
66.01680	0.9
67.05504	50.5
68.05032	2.3
69.03407	2.9
69.04547	1.3
69.07060	4.4
70.14998	3.3
70.15416	1.5
72.04497	1.9
79.02984	1.0
79.05495	10.7
81.03416	4.7
81.04552	5.1
81.07057	51.5
82.06585	2.1
83.04986	2.7
83.06091	2.1
91.05483	82.5
92.05795	2.2
93.07039	10.6
93.53468	1.1
94.04192	5.7
94.06573	1.4
94.07298	1.0
95.04969	13.6
95.06069	1.5
95.08605	35.0
96.05614	2.9
96.08942	1.3
97.06401	6.5
97.07003	0.8
98.04794	1.3
103.05474	1.4
107.04959	11.4
107.08582	3.8
109.06517	42.2
109.10158	43.8
110.06041	1.7
110.07209	6.7
110.10453	1.0
111.05585	2.5
117.07016	1.3
119.04950	23.4
119.08587	12.7
120.04504	2.0
120.05377	0.9
120.08853	1.0
121.06502	6.3
121.07623	1.3
121.32971	1.0
122.03674	5.0
122.07289	52.4
123.07604	1.9
135.08072	1.7
137.02496	5.9
137.05978	47.0
137.08275	6.4
137.09618	100.0
137.13214	5.2
137.44139	1.0
138.01773	2.2
138.05479	7.1
138.06573	5.3
138.09111	2.1
138.10094	5.0
139.07465	1.2
141.44144	1.0
146.88449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03933	2.0
55.01873	2.2
55.05505	6.7
57.03434	1.4
57.07074	1.4
65.03929	3.8
66.36567	1.3
67.05509	56.9
68.05833	1.3
69.03432	4.4
69.07069	5.4
70.94176	2.6
70.94514	2.3
79.05495	10.5
81.03430	2.8
81.04535	2.1
81.07064	33.5
83.04989	1.3
86.68498	1.4
91.05486	58.1
92.05815	1.4
93.07044	10.6
94.04195	2.3
95.04984	13.8
95.08610	18.6
96.66231	1.3
97.06400	3.7
103.05484	1.4
105.07030	1.7
107.04967	8.8
107.08598	12.5
107.59142	1.4
108.05739	3.3
109.06525	52.4
109.10163	52.3
109.79398	1.2
110.06078	1.6
110.07159	4.0
110.10501	1.5
110.43264	1.2
111.05558	1.2
117.06980	1.6
119.04957	16.1
119.08598	18.7
120.04483	1.2
121.06511	5.6
122.03627	1.9
122.07294	41.4
123.07645	2.3
125.12319	1.3
135.08073	2.5
136.16701	1.4
137.02481	2.5
137.05995	24.8
137.09625	100.0
138.05508	4.9
138.06575	3.4
138.09056	2.4
138.10036	4.9
142.33223	1.3
147.92184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.36926	1.0
53.03945	1.4
57.07071	2.2
66.04710	3.0
67.05521	4.8
69.07052	1.2
70.21148	3.2
79.05493	5.7
81.07058	23.5
91.05487	5.6
92.27162	1.0
93.07027	2.2
94.04193	22.4
95.04979	1.5
95.08039	1.7
95.08605	18.5
103.14503	0.9
109.06539	1.6
109.10181	1.6
110.06023	1.0
122.03657	42.4
137.02438	3.8
137.05980	100.0
137.13275	3.7
138.05409	1.5
138.06363	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	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02384	0.9
53.03935	1.0
54.03462	1.0
55.05500	1.9
56.03774	1.0
56.05019	1.1
57.07075	2.1
65.03938	6.1
67.05226	1.0
67.05515	11.5
68.05022	2.1
69.04557	1.6
69.07056	1.6
70.85828	2.6
72.04506	2.5
73.01126	0.9
79.05492	6.6
81.04533	3.0
81.07062	39.3
81.31068	0.9
82.06575	2.8
83.06107	1.3
84.32069	0.9
91.05485	100.0
92.05815	4.3
93.07037	4.8
94.04182	3.3
94.06558	1.2
95.04960	3.5
95.06079	2.1
95.08612	37.2
96.04501	1.1
96.05624	2.8
97.04015	1.1
97.06404	6.9
97.07714	1.0
98.04776	1.5
107.04927	1.8
109.02827	1.2
109.06515	8.6
109.09378	0.9
109.10159	5.1
110.06047	2.8
110.07184	6.9
111.05582	2.5
119.04952	37.2
119.08588	1.0
120.05424	1.9
121.06532	1.1
122.03644	4.1
122.07302	4.9
137.02528	4.7
137.05983	60.7
137.08113	5.7
137.09645	7.0
137.13275	5.6
138.01761	1.7
138.05490	7.9
138.06531	5.9
138.09189	2.1
138.10220	1.3
154.22430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03931	1.0
55.05502	1.8
57.07064	2.4
65.03933	6.8
67.05222	0.8
67.05507	9.5
69.04561	0.9
69.07043	2.0
70.84718	1.3
70.85071	2.3
72.04515	1.6
79.05496	5.2
81.04524	1.6
81.07054	23.9
82.06596	1.0
83.06088	0.9
83.51659	0.7
91.05479	100.0
92.05821	3.7
93.07030	3.0
94.04168	3.5
94.06561	0.9
95.04948	2.9
95.06089	0.7
95.08609	20.7
96.08936	1.0
97.06399	4.9
98.04797	1.6
107.08566	1.7
109.06524	6.9
109.10146	4.7
110.06030	1.6
110.07195	4.4
111.05570	1.6
113.27560	0.7
115.20584	0.7
119.04945	37.6
119.08616	0.7
120.04496	1.1
120.05264	1.8
121.06548	0.9
121.07497	0.8
122.03639	3.8
122.07293	2.6
137.02429	3.0
137.05972	59.5
137.08200	3.3
137.09608	8.0
137.13228	4.5
138.05467	6.4
138.06505	5.2
138.09198	1.2
138.10223	1.9
157.72795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
52.88678	0.2
56.43562	0.2
56.99914	0.2
64.08958	0.2
70.85648	0.6
81.07048	0.6
84.38778	0.2
91.05484	2.5
92.02510	0.2
94.04037	2.0
95.08586	0.5
109.05077	0.3
109.06542	0.3
119.03549	5.4
119.04854	1.1
136.02193	1.3
136.06187	100.0
137.04610	4.9
137.05852	1.3
137.06560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
51.02374	0.4
53.03942	0.9
54.03466	2.3
55.01871	0.7
55.05502	1.1
56.05025	1.0
56.96558	1.2
57.07071	1.3
60.04523	0.9
65.03932	1.4
67.02969	0.5
67.05499	3.9
68.05028	5.5
69.03417	1.0
69.04546	1.4
69.07059	1.6
70.06580	1.1
70.80004	0.4
70.96827	0.5
70.97187	1.1
72.82410	0.4
74.06078	0.5
79.05485	3.0
80.05022	2.5
80.05832	0.4
81.03415	1.1
81.04546	4.2
81.07056	16.4
82.06577	1.6
83.06091	0.8
88.10060	0.4
91.00513	1.0
91.05479	75.0
92.02426	0.5
92.04986	0.9
92.05819	2.9
93.04514	0.6
93.05782	1.1
93.07043	5.7
94.04088	3.1
94.06567	1.7
95.04971	2.7
95.06083	5.1
95.08608	16.2
96.04464	0.5
96.05600	1.1
96.06298	0.6
96.06873	6.7
97.06401	3.7
100.01041	0.5
107.04949	3.0
107.06043	0.5
108.04462	1.1
108.05307	1.5
108.06834	0.4
108.08147	2.3
108.08861	0.7
109.01116	2.7
109.02886	0.5
109.06523	5.9
109.07641	7.9
109.10153	1.4
110.06059	0.6
110.07185	4.8
110.07899	0.7
113.05918	1.5
117.87545	0.3
118.05175	0.4
118.06546	3.8
119.03636	5.1
119.04943	23.7
119.05991	1.4
120.05315	1.1
121.01495	0.5
121.06368	0.5
122.03645	1.0
122.07272	0.6
136.02168	55.7
136.03813	5.0
136.05215	3.4
136.06180	100.0
136.07555	30.4
136.08672	10.8
137.02463	4.3
137.04570	5.8
137.05978	8.4
137.08167	7.0
137.09589	2.1
137.10736	1.2
137.13277	2.3
149.02959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.76900	0.6
53.03947	2.3
54.03466	0.7
55.01858	1.0
55.04245	0.7
55.05519	4.9
57.03419	0.5
57.07066	0.6
58.58537	0.5
65.03949	1.7
67.05505	2.5
68.05034	4.9
69.07065	1.9
69.60121	1.7
69.60545	2.4
79.05497	14.0
81.07053	2.0
87.05592	0.8
91.05484	25.9
92.06298	0.7
93.07047	44.2
94.04058	0.7
94.07338	1.0
94.07880	0.7
95.04989	4.4
95.06092	2.6
95.08602	0.7
95.63171	0.6
96.06871	3.4
98.09880	0.6
105.04536	0.6
105.07040	12.2
107.04975	4.6
107.08599	100.0
108.08211	1.0
108.08926	3.5
109.01091	1.5
109.06557	5.9
109.07635	2.9
112.83076	0.7
115.05467	1.3
117.07043	1.6
119.06071	2.6
119.08595	7.8
120.09364	1.9
135.04431	5.9
135.05467	1.3
135.06685	1.7
135.08072	7.4
135.11703	29.7
136.02168	32.5
136.03943	2.2
136.05148	1.5
136.06187	11.7
136.07581	3.8
136.08708	5.2
136.12056	1.2
136.58969	0.6
139.52159	0.6
153.59700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49481	0.1
65.03956	0.2
66.02163	0.1
67.02982	0.2
67.65067	0.1
69.90887	0.6
69.91264	0.2
77.69012	0.1
81.07043	0.1
90.51694	0.1
91.05482	3.3
94.04057	1.8
100.02470	0.1
107.04929	0.1
109.05128	0.2
109.06518	0.2
111.45284	0.1
112.05067	0.2
119.01874	0.2
119.03554	3.7
119.04901	1.7
120.03911	0.1
122.37322	0.1
131.01933	0.2
136.06184	100.0
137.04578	3.5
137.05862	1.6
137.06587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03942	3.2
55.01873	16.8
55.05507	2.9
56.96527	1.4
65.03941	8.2
67.05518	7.9
68.05020	2.4
69.03431	19.2
70.98911	3.2
74.14649	1.3
79.05496	61.0
80.05824	3.1
81.07081	2.3
86.43124	1.5
89.03913	1.6
91.05483	100.0
92.05806	4.9
92.06300	2.2
93.07044	23.5
95.04967	11.0
105.07033	36.2
106.07320	1.9
107.04974	11.5
107.08599	90.3
108.08134	2.5
108.08912	4.7
109.01089	3.4
109.06522	23.1
115.05454	32.5
116.05760	2.2
117.07015	31.8
117.28498	1.7
118.06561	1.8
118.07380	1.9
119.06067	7.3
119.08581	3.5
120.05708	3.0
135.04480	7.8
135.05510	2.2
135.08057	76.2
135.11702	10.8
136.02170	93.2
136.03928	5.5
136.05145	2.5
136.06187	31.9
136.07564	6.0
136.08449	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02372	1.0
53.03941	4.1
55.01871	1.2
55.05514	8.1
65.03924	1.1
67.05485	2.8
68.05019	5.1
68.44713	0.8
69.03412	0.9
69.07068	3.9
71.10439	0.8
71.10788	1.7
79.05065	1.4
79.05497	23.4
80.04983	1.4
80.05838	0.8
81.07047	3.4
87.05588	2.8
91.05480	32.1
93.07044	58.3
94.07366	2.5
94.76559	0.8
95.04974	7.9
95.06067	2.5
96.06881	4.5
105.04523	1.1
105.07027	13.3
106.07335	0.9
107.04986	6.2
107.08595	100.0
108.08167	1.7
108.08915	4.4
109.01115	1.8
109.06515	5.8
109.07626	3.1
115.05453	1.7
116.68118	0.8
117.07016	2.4
119.06063	2.3
119.08601	7.8
120.09346	2.0
133.10071	0.9
135.04420	10.8
135.05437	1.3
135.06625	2.0
135.08058	7.7
135.11690	30.2
136.02164	42.3
136.03911	2.6
136.05125	1.8
136.06161	11.5
136.07565	4.3
136.08687	5.2
136.12057	1.2
154.63654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03941	2.2
53.15144	0.5
54.03465	1.5
55.01859	1.5
55.05499	1.4
55.95761	0.6
56.05015	1.1
56.96559	11.1
58.02955	1.3
58.26310	0.6
59.06121	4.1
60.04526	9.6
62.45044	0.5
63.98935	0.7
65.03932	1.8
67.02989	0.9
67.05490	2.2
68.05032	5.2
69.03411	1.2
69.04552	0.8
69.07068	0.9
71.56815	0.7
71.95261	0.8
72.06894	1.2
72.99454	1.3
73.04028	0.7
73.17970	0.6
74.97604	5.9
75.05598	10.5
76.03995	3.2
79.05058	0.9
79.05490	12.8
80.05012	2.2
80.05842	0.6
81.04533	1.6
81.07059	1.3
81.99980	12.1
82.06559	1.0
82.50204	0.6
83.06097	0.7
86.54193	0.6
86.97591	1.7
87.05588	28.1
88.05921	0.7
88.51611	1.1
89.00751	1.0
89.03915	2.4
90.04700	2.4
90.05536	0.9
90.54919	0.6
91.00517	100.0
91.05477	38.3
91.50681	2.6
92.00771	0.8
92.04963	0.8
92.98629	1.2
93.05779	0.9
93.07037	9.2
93.50797	2.4
94.04046	2.8
94.06561	1.9
95.04964	5.9
95.06067	3.7
96.06879	5.2
97.52120	1.0
97.99200	0.9
98.01298	15.5
98.51437	0.9
98.97568	0.7
99.05611	1.1
100.01034	67.1
100.51190	3.5
101.07144	1.6
102.51300	24.2
102.51983	1.3
103.00542	0.8
103.01474	1.2
105.04529	2.2
105.07039	3.4
106.06536	0.8
107.01812	8.3
107.04949	22.8
107.06086	1.4
107.08591	15.9
107.52053	1.0
108.04467	2.5
108.05130	0.6
108.05672	1.2
108.08121	2.4
108.08865	0.8
109.01085	2.7
109.01666	1.5
109.06506	2.5
109.07644	7.3
109.52071	1.9
111.51825	13.0
111.54954	2.9
112.01022	9.7
112.01863	1.4
112.02769	0.8
112.05043	1.0
112.55743	28.0
112.95497	0.6
113.05907	4.0
113.56091	0.6
114.02092	3.0
115.05479	1.2
116.98611	1.4
117.05846	0.7
117.06604	1.1
118.06573	3.3
118.52612	0.7
119.03579	3.5
119.04928	8.9
119.06048	1.6
119.08591	0.8
120.09360	0.7
121.01536	26.1
121.51737	1.2
123.51810	1.4
130.02065	1.5
130.96535	2.3
132.52310	3.4
133.07060	2.8
133.73668	0.7
134.06023	1.0
134.99670	1.1
135.04420	18.3
135.05508	3.2
135.06435	4.5
135.08020	5.2
135.09189	3.7
135.11671	4.8
136.02161	69.8
136.03934	4.9
136.05153	3.3
136.06189	86.9
136.07558	15.5
136.08684	8.2
137.04573	5.1
148.97585	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	5.5
55.05511	12.6
67.05502	16.5
69.07070	5.0
76.69517	1.9
79.05496	59.2
80.05844	1.9
81.07064	18.1
91.05476	25.4
93.07040	81.4
94.07363	3.1
94.87095	2.2
95.04956	12.7
96.06854	2.7
98.21481	5.5
105.04526	2.3
105.07013	8.8
107.04951	20.8
107.08592	75.5
108.08920	2.9
109.01119	3.7
109.06517	3.8
119.08587	4.3
135.04422	15.9
135.05499	3.8
135.06622	3.5
135.08084	14.0
135.11693	67.3
136.02164	100.0
136.05130	3.3
136.06183	21.9
136.07565	7.7
136.12120	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02353	0.8
53.03941	4.6
54.03468	2.5
55.01857	1.8
55.04242	1.5
55.05514	6.6
56.05024	1.6
56.96547	2.5
59.06107	2.8
60.04514	3.3
65.03934	3.0
66.03434	1.0
67.02984	2.3
67.05501	4.2
68.05031	23.5
69.03410	2.3
69.07057	3.7
71.22104	1.9
74.26402	0.8
75.05608	5.2
76.03989	1.6
78.28998	0.8
79.05494	33.4
80.05008	3.0
80.05814	1.2
81.04527	2.0
81.07030	3.3
82.06573	2.8
83.06093	2.9
87.05583	12.9
89.03914	0.9
91.05482	40.8
92.05785	1.4
93.04514	2.0
93.05790	2.4
93.07044	40.8
94.04043	1.1
94.07379	1.4
95.04977	11.0
95.06090	12.8
96.06300	1.5
96.06876	20.4
105.04485	1.4
105.07029	15.5
107.04292	1.6
107.04959	21.4
107.06095	2.0
107.08596	77.7
108.05591	2.0
108.08104	3.1
108.08868	1.8
109.01108	4.7
109.06530	7.1
109.07638	15.8
109.75517	0.9
115.05463	4.3
117.07049	5.7
118.06550	1.4
119.03537	2.1
119.06087	5.7
119.07794	1.1
119.08585	14.1
120.05623	1.0
120.09388	4.3
121.06401	1.1
121.09000	1.2
133.10133	1.6
134.07077	1.1
135.04411	14.9
135.05537	4.0
135.06642	6.3
135.08037	32.9
135.09123	3.0
135.10692	2.2
135.11690	33.2
136.02168	100.0
136.03900	5.0
136.05072	4.5
136.06180	37.8
136.07561	10.7
136.08681	29.9
136.11099	1.6
136.12064	1.3
137.04594	1.6
143.33148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.25404	0.8
52.15158	0.8
53.03953	5.2
54.03455	1.0
55.01863	2.2
55.04267	0.9
55.05507	1.8
56.96550	1.7
57.03424	1.1
59.06109	3.6
60.04531	6.6
63.02370	2.5
65.03931	1.8
67.05502	1.4
68.05034	11.0
69.03436	1.1
70.26508	1.6
70.26906	2.0
75.05611	5.7
76.04002	2.6
77.03918	1.1
79.05493	30.8
80.05020	1.4
81.04543	1.6
81.07043	1.5
82.06563	1.5
87.05592	23.6
89.03917	59.0
90.04243	1.2
91.04905	0.9
91.05486	17.6
92.05813	1.1
93.04556	1.1
93.07046	13.4
94.04054	1.4
94.06548	1.1
95.04971	10.7
95.06075	5.6
95.07312	1.0
96.06874	8.1
105.04530	1.5
105.07038	6.5
107.04958	32.6
107.06088	1.7
107.08596	27.6
108.04491	1.6
108.05616	2.6
108.06488	0.7
108.08120	1.7
108.70512	0.8
109.01112	2.8
109.05898	0.9
109.06524	3.9
109.07666	7.5
115.05431	1.8
115.93037	0.8
117.03384	28.8
117.07079	1.9
118.03738	1.1
118.06515	1.3
119.03589	2.8
119.06099	3.1
119.08568	4.7
120.09390	1.2
121.01584	0.9
134.07173	1.3
135.04425	100.0
135.05487	4.5
135.06625	5.0
135.08034	13.6
135.09137	2.1
135.11696	9.9
136.02168	67.8
136.03914	3.3
136.04987	3.7
136.06184	60.9
136.07541	4.9
136.08585	11.7
137.04570	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
54.04295	1.7
55.01873	29.4
55.05509	6.7
56.05035	40.6
56.96565	12.4
57.03438	20.9
58.06596	10.5
58.99862	2.7
59.05001	3.2
60.04549	4.2
60.08151	4.1
61.01155	4.8
62.01484	3.8
63.00722	3.4
65.03940	2.0
69.03429	5.2
69.07075	20.1
70.06598	32.9
70.07401	4.5
71.04997	20.8
71.06920	2.0
71.07724	3.9
71.58047	2.4
72.04525	4.4
72.08159	70.1
73.02914	10.2
74.02444	87.5
74.06083	35.9
76.07641	4.7
78.52949	2.0
79.05496	46.6
80.05826	2.4
81.03429	3.9
82.01450	1.8
82.38772	1.7
85.02907	4.3
85.80490	1.7
86.03270	2.2
86.06062	17.7
86.09708	90.0
86.52713	2.6
87.02701	2.4
87.05575	3.3
87.10035	14.8
88.02222	12.2
88.02617	3.5
88.03059	7.6
88.03994	61.9
88.07619	10.0
88.09805	3.3
88.10354	22.8
89.02257	5.5
90.09193	15.0
91.05502	6.6
93.01899	2.4
93.07051	9.3
93.53465	3.3
95.04974	13.1
98.06056	100.0
98.09688	2.4
99.04460	8.3
100.02469	9.4
101.00884	4.1
102.02413	5.3
102.05544	2.1
102.09162	2.0
104.07087	2.5
105.07014	4.4
106.06566	42.7
106.07275	3.5
107.04201	3.2
107.04952	59.6
107.08604	11.0
111.02929	7.6
115.02454	2.1
116.03450	6.1
116.07076	21.1
116.10707	2.9
117.05568	2.4
118.03479	8.8
119.01929	21.8
120.02020	3.6
121.01664	2.4
124.02491	1.8
131.01936	7.7
133.03510	4.3
134.03519	5.7
134.04507	3.6
134.06029	90.4
134.07043	8.2
134.08153	9.5
134.09660	6.5
134.10738	3.1
134.11768	65.9
135.04419	33.1
135.05443	4.2
135.06642	8.1
135.08067	5.0
135.11739	3.0
137.02992	6.1
142.03510	22.3
143.03610	2.5
145.03481	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01862	8.0
57.03436	62.7
58.03752	3.4
58.99850	3.3
60.04506	8.8
61.02919	3.6
65.44033	3.1
67.05521	3.1
67.39877	2.7
68.02602	2.6
69.03429	19.7
70.42818	9.4
71.04977	3.1
72.52957	7.4
72.92844	2.5
73.02934	19.0
74.06082	4.7
75.05587	10.0
76.04009	4.3
77.00913	7.6
78.52960	15.9
79.02155	3.2
79.05493	3.0
79.51898	3.9
80.52701	3.9
81.03397	13.5
81.53484	4.8
82.01408	5.1
84.52974	2.7
85.02908	11.0
85.53720	7.9
86.06031	3.1
86.52704	57.1
87.02802	4.2
87.05599	14.8
87.52598	5.5
87.53472	8.7
88.02673	24.1
88.52769	3.2
91.53747	2.8
92.52702	6.2
93.01871	6.1
93.07061	4.5
93.53485	13.3
94.52414	3.6
94.54240	3.9
95.01948	3.4
95.53224	56.7
96.03259	11.3
96.53097	4.5
97.03225	5.5
98.52716	3.0
99.04448	6.7
99.53439	6.2
100.02485	55.2
101.00885	17.1
101.02547	6.9
101.53175	4.4
102.02397	17.1
102.53993	2.8
103.02509	3.7
104.53728	3.7
105.00330	3.8
107.04037	4.5
107.04943	6.0
107.06028	3.5
107.08588	8.4
108.54003	5.1
109.02895	3.8
111.02954	25.8
111.53488	19.1
112.03491	3.1
113.00797	3.9
113.53180	9.0
115.02434	6.7
118.01153	3.1
118.03511	44.7
119.01926	78.8
119.03606	5.9
120.02042	10.6
120.03401	6.4
120.53944	12.4
121.01635	8.8
121.02856	8.1
122.53716	12.1
123.04224	5.8
123.06561	4.4
124.02424	13.8
128.01930	6.2
129.03973	3.4
131.01904	42.2
131.54260	6.9
132.02037	4.4
133.03462	9.6
134.06061	5.4
134.07155	8.6
135.04401	5.6
135.07980	3.2
136.02536	3.1
136.04514	4.2
137.02971	24.7
139.02672	4.3
142.03502	100.0
143.01894	5.7
143.03662	14.8
144.03220	6.4
145.03474	9.4
149.03000	10.1
154.03503	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05023	0.5
58.06593	0.8
69.06717	0.7
69.07069	8.6
70.94189	0.9
72.08150	1.4
73.08485	1.2
74.02438	1.6
74.06094	0.8
86.06049	0.7
86.09706	100.0
87.10027	3.3
90.05556	0.9
105.00126	1.0
114.09206	0.7
115.08779	0.5
115.09541	1.5
117.24937	0.4
132.07646	0.7
132.10213	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03944	1.1
53.10185	0.3
55.01871	3.3
57.65671	0.3
65.03934	0.3
69.89469	1.5
71.32928	0.3
77.03925	0.3
79.05494	10.1
80.05828	0.4
91.05481	3.4
93.07071	0.3
95.04975	2.4
95.62511	0.3
98.21539	0.3
103.04791	0.5
103.05470	8.2
104.05770	0.3
105.07030	84.8
106.07352	2.8
107.04962	0.8
110.60397	0.3
115.05457	3.3
128.22455	0.3
131.04921	1.8
131.08580	0.3
132.05701	0.4
133.06491	100.0
133.10101	4.5
134.05952	0.5
134.06834	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.69212	0.7
52.93892	0.7
54.68509	0.8
55.05500	2.1
69.46635	3.5
69.47069	2.9
74.14847	0.8
79.05495	4.3
91.05485	14.5
93.07065	4.0
95.04970	1.0
103.05470	1.6
105.07032	44.5
106.06630	0.8
106.07357	1.9
107.08570	1.4
115.05427	4.3
116.06220	0.9
117.07001	4.8
118.07803	5.4
118.54483	0.7
127.19220	0.8
131.08543	6.5
133.02850	0.9
133.06520	3.4
133.10132	100.0
134.06024	2.5
134.07112	2.1
134.10487	5.5
149.36554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03949	2.0
53.96300	0.8
55.05495	2.2
55.71301	0.7
58.05334	1.7
59.10494	0.8
65.03925	1.4
70.77656	2.5
74.02445	2.0
74.06064	1.1
79.05477	6.8
85.04044	0.9
86.04823	1.0
87.05591	1.7
87.10065	0.8
88.02229	1.5
88.03988	1.4
91.05478	17.2
92.05799	0.9
93.07034	6.0
95.04961	1.8
98.21407	0.8
103.05468	2.9
105.03406	1.4
105.07027	62.8
106.06599	1.2
106.07352	2.7
115.05435	5.4
116.06277	1.3
117.07010	4.4
118.07814	6.8
123.08006	1.4
131.08577	5.5
133.02838	1.6
133.06485	8.5
133.07552	2.1
133.10127	100.0
134.06006	5.8
134.07085	3.8
134.09602	1.7
134.10469	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	130.0864
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
56.05037	1.0
58.02969	0.4
67.05502	1.0
68.05022	0.4
69.03427	30.3
69.07066	3.8
70.03751	0.5
71.52327	0.4
72.08157	0.7
77.81541	0.3
82.06583	1.9
83.43510	0.3
84.04504	1.3
84.08141	15.7
85.08457	0.5
94.06555	0.4
112.07603	100.0
112.68359	0.3
113.07205	0.4
113.07941	3.8
130.08636	32.5
131.08969	0.9
148.18935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53714	0.9
55.01864	0.9
55.02993	0.8
55.05499	1.2
56.05041	4.2
56.96564	1.4
57.07079	36.7
58.06587	1.1
58.07405	1.3
59.06125	4.1
60.04512	1.3
67.05499	1.5
68.05026	1.4
69.03435	31.1
69.07072	5.8
70.06600	6.1
70.71765	2.0
70.72105	0.8
71.04995	1.1
72.04516	4.6
72.08165	13.6
74.06070	1.2
74.09721	35.3
75.10054	0.8
82.06567	1.7
83.06059	1.7
84.04508	18.1
84.08147	22.2
85.02908	1.1
85.04035	1.5
85.07675	7.4
85.08474	1.2
86.06069	2.0
87.09230	5.8
88.07660	1.2
91.05475	3.8
103.05472	1.7
112.07609	100.0
113.07129	9.2
113.07950	5.4
113.10799	1.1
116.06236	1.2
129.06999	1.6
130.05014	2.0
130.06567	11.5
130.08647	29.6
130.09738	2.0
130.15921	98.4
131.04897	0.9
131.06903	1.5
131.08569	3.5
131.16283	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.80231	0.6
57.03419	0.6
58.05336	0.8
58.06599	1.2
59.06118	0.7
69.03414	0.7
69.07063	4.1
69.56030	2.6
69.56469	2.6
72.04512	1.7
72.08154	1.1
73.02947	0.7
73.04029	0.6
74.06083	1.4
75.04456	0.9
75.05601	1.3
85.11865	0.7
86.09710	100.0
87.05586	1.1
87.10014	3.4
100.02465	0.9
105.07037	1.8
107.36041	0.6
114.52183	1.7
116.07115	0.8
118.03523	0.7
130.53453	0.7
132.10213	2.0
133.06189	0.7
133.09842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42549	0.4
53.03946	1.1
54.03464	1.6
56.04791	0.5
56.05040	7.3
56.96565	1.1
57.03436	0.9
58.06601	3.7
58.99870	0.7
59.07370	1.4
60.08156	1.1
60.57100	0.4
62.67597	0.5
65.03937	0.6
67.04248	0.9
67.05494	2.2
68.05032	4.6
68.05840	0.7
69.03429	0.7
69.04545	1.9
69.99277	2.6
70.06592	2.4
77.00903	0.7
78.04300	0.8
78.04705	4.1
78.06329	6.0
78.56477	0.8
79.05493	2.2
80.05028	7.5
81.03416	0.8
81.04551	7.0
81.05338	4.2
81.05766	0.8
81.07050	0.5
82.01428	0.8
82.05329	1.0
82.06561	0.9
83.01511	1.1
83.05627	1.0
83.06106	17.2
84.01170	0.8
84.08116	1.2
85.97100	0.4
92.07865	1.0
94.31924	0.4
95.04945	2.3
95.06094	0.9
96.04498	4.2
96.05297	6.7
96.06916	0.6
96.08128	1.2
97.02901	2.7
97.04775	1.0
97.05315	1.1
97.06586	0.5
97.07657	8.0
98.06091	0.6
100.02491	4.6
100.07619	0.5
101.00878	11.2
101.02558	13.7
102.00943	0.7
102.02233	6.1
105.03438	0.7
106.06490	0.6
107.04946	1.2
107.06073	9.2
109.02949	0.5
112.03961	3.2
117.10258	3.7
118.03525	3.7
119.01925	100.0
119.03615	12.3
120.01999	5.1
120.03265	7.2
121.04137	0.5
123.04468	0.9
124.03951	15.5
124.04925	4.7
124.05908	16.5
124.07600	5.0
124.08720	18.0
124.11186	1.0
125.02362	1.4
125.06010	1.2
125.07112	3.6
125.07990	0.5
125.10745	0.6
137.02960	59.3
138.03062	3.1
140.03395	2.2
142.03516	9.6
143.03670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	DL-Pyroglutamic acid
Peak:m/z	Relative Intensity
55.05501	1.5
56.05036	5.3
56.96568	0.7
57.03425	0.5
57.07066	0.4
58.06595	2.0
59.06122	1.5
60.04528	0.3
60.05637	0.4
67.05508	0.6
68.05037	0.4
68.95274	0.3
69.03429	19.2
69.07070	2.2
69.70978	1.5
70.06592	9.8
71.04986	1.2
71.06113	0.3
71.06952	0.3
72.04520	1.3
72.08156	8.6
74.06086	0.5
74.09735	0.4
74.86138	0.2
82.06578	1.2
83.09024	0.3
83.94151	0.2
84.04504	100.0
84.08141	29.1
85.02901	2.7
85.04829	1.8
85.07676	1.0
85.08470	0.7
86.06064	0.5
86.09712	0.4
87.09229	0.7
88.07632	1.1
89.06020	0.9
93.28761	0.2
94.06564	0.6
95.01344	0.3
98.06046	0.5
98.97600	0.3
100.08727	0.3
101.07883	0.2
102.05531	1.3
102.09177	0.4
108.80118	0.2
112.07604	59.9
113.02364	0.6
113.07140	0.6
113.07947	1.7
113.10796	0.6
114.09171	3.8
116.98646	0.3
119.01890	0.6
130.02252	0.4
130.05002	13.7
130.06508	1.6
130.08646	23.2
130.09720	1.3
130.12277	1.1
130.13336	0.5
130.15929	1.0
131.05359	0.4
131.08144	0.3
131.09015	0.4
131.11806	0.8
142.03471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
51.69897	0.6
53.03936	1.4
53.92706	0.4
54.03455	0.8
55.01861	1.8
55.53940	0.5
55.99342	0.6
56.05027	1.6
57.03435	1.4
58.06597	4.8
58.99858	1.7
59.07373	2.1
59.99929	0.7
60.08149	0.7
61.02934	0.9
65.03935	0.8
67.05492	3.1
68.05018	2.0
68.05843	1.2
69.03426	1.6
69.04550	1.0
70.06591	1.6
70.99856	1.0
71.58247	0.8
77.00901	3.2
77.99135	0.5
78.04700	4.7
78.06329	7.6
78.56496	1.2
79.00662	0.8
79.05503	0.6
80.05002	2.8
81.03431	1.4
81.04523	3.1
81.07059	0.9
82.05338	1.6
82.06584	1.7
83.01525	2.0
83.06098	2.4
84.01186	0.8
84.08146	1.8
84.09130	0.6
85.02905	0.6
86.02068	0.6
88.53383	0.6
89.00925	0.7
89.20891	0.6
92.07899	1.2
95.01929	1.2
95.04982	2.2
95.06108	0.7
96.04506	4.6
96.05283	5.4
96.08127	1.4
97.02888	2.5
97.05267	2.3
97.07664	0.9
99.09205	1.1
100.02475	7.6
100.07629	1.1
101.00880	9.7
101.02550	23.6
102.02240	14.7
102.02919	0.9
106.03696	1.1
107.06081	2.6
109.02844	0.7
109.04016	1.3
110.04794	11.5
111.04449	0.8
112.03985	3.5
117.10275	7.0
118.03517	6.4
119.01923	100.0
119.03618	25.7
120.02000	5.0
120.03261	13.3
121.01664	2.2
123.04414	0.9
124.02546	0.8
124.03946	19.8
124.04794	16.6
124.05891	3.1
124.07597	3.1
124.08714	12.5
124.09543	1.2
125.02454	0.6
125.03511	0.7
125.06114	1.0
125.07122	9.6
125.10741	1.6
131.01877	0.9
133.01674	1.9
133.64134	0.5
137.02956	56.8
138.02029	0.6
138.03000	3.4
139.02666	0.8
140.03448	1.9
141.05066	0.6
142.03500	8.8
142.05157	1.2
143.03757	0.7
143.04851	0.7
143.11816	1.3
144.03235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02361	0.7
53.03944	7.3
54.03445	1.8
54.04254	0.4
54.91258	0.4
55.01851	1.4
55.05510	7.0
56.05031	4.8
56.50132	0.4
56.96544	0.7
57.07071	0.9
58.06595	0.4
63.83821	0.3
65.03945	2.1
65.90033	0.4
67.05504	33.9
68.05031	3.5
68.05835	0.8
69.04543	0.9
69.07050	0.5
70.06565	1.7
71.57328	0.5
77.03912	1.6
79.05486	5.5
80.05020	8.3
80.06261	0.7
81.03394	1.4
81.04532	5.8
81.05807	0.8
81.06576	0.9
81.07057	16.1
82.01449	0.7
82.04875	0.4
82.05327	1.1
82.06572	0.8
83.05666	0.8
83.06103	10.3
88.02431	0.4
91.05478	1.7
93.07039	7.5
94.06559	0.7
95.04968	100.0
95.08605	41.7
96.04494	4.8
96.05299	4.2
96.08138	1.7
96.08936	1.8
97.07652	5.9
97.67498	0.4
100.02483	4.4
103.05470	0.8
105.04490	3.1
105.07043	2.2
105.17020	0.4
106.02883	0.5
106.06628	0.8
106.07401	1.1
107.04948	1.2
107.06089	6.2
108.05740	6.8
108.07710	1.9
112.03967	2.4
118.03526	4.6
119.01938	1.1
119.03709	0.5
121.06491	0.8
123.04464	26.9
123.05578	18.6
123.08101	27.8
123.09121	1.0
123.09944	3.7
123.11672	5.7
124.03955	13.8
124.04794	1.2
124.05895	0.7
124.07636	3.8
124.08734	13.1
124.12053	0.4
137.03032	0.7
140.03426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02389	0.8
53.03947	6.4
55.01869	1.1
57.03439	0.5
58.06591	0.8
59.07376	0.5
65.03934	0.6
67.05505	4.6
68.05013	0.5
71.27464	0.9
71.66525	0.3
74.56531	0.4
77.03936	1.1
78.03452	0.5
78.06331	1.8
79.05498	2.1
79.64621	0.3
80.05023	5.3
81.03410	1.1
81.07050	2.5
82.01454	2.2
82.06583	0.5
83.16611	0.3
84.08157	0.7
87.05582	0.3
88.52721	0.4
95.04971	100.0
95.08620	1.1
96.04512	2.7
96.05299	3.0
96.17002	0.3
97.05299	0.5
97.35162	0.3
100.02485	20.6
101.00880	1.2
101.02600	1.3
105.03410	1.1
105.04513	3.3
106.02935	0.8
110.78613	0.4
111.02885	0.4
112.03979	1.4
117.10265	1.4
118.03522	20.1
119.01923	10.7
119.03629	1.5
120.03450	0.4
123.04439	33.8
123.05555	18.0
123.08022	1.7
123.11702	0.4
124.03964	7.6
124.04804	1.2
124.05898	0.7
131.01938	0.5
137.02963	7.1
137.07294	0.4
140.03485	0.6
141.05066	0.8
142.03506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03948	7.9
55.01863	1.1
56.12617	0.4
58.06598	0.9
60.08145	0.4
65.03935	0.8
67.05505	4.7
69.03387	0.6
70.43451	1.6
74.29153	0.4
76.43474	0.4
77.03941	1.3
78.03476	0.4
78.06337	1.0
79.05478	1.5
80.05017	5.7
81.03407	1.2
81.07054	3.0
82.01442	2.0
84.08106	0.5
95.04969	100.0
95.08598	1.4
96.04517	3.5
96.05269	2.2
97.02873	0.8
100.02483	17.7
100.03144	1.0
101.00891	0.6
101.02575	1.3
102.24285	0.4
105.03386	0.7
105.04514	2.7
108.85349	0.5
112.03950	1.3
117.10254	1.5
118.03523	17.5
119.01915	5.8
119.03612	1.3
123.04437	35.9
123.05553	24.8
123.07989	2.1
123.11709	0.6
124.03957	8.1
124.04800	1.6
124.05779	0.4
124.07590	0.4
131.01927	0.7
137.02919	2.8
140.03470	1.1
141.05113	0.5
142.03537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99854	1.7
70.79019	2.9
77.00500	0.9
77.00915	1.8
82.01448	16.8
95.04974	5.8
100.02482	100.0
100.69646	1.0
101.00872	6.7
101.02579	6.2
101.13253	0.8
105.41079	0.7
118.03524	68.1
118.69125	0.9
119.01920	47.6
119.03612	4.8
123.04140	2.8
123.05585	0.8
127.68607	0.9
137.02956	24.8
141.05054	3.2
142.03490	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03951	9.4
55.01863	2.3
57.03428	1.0
58.06592	1.8
58.99847	1.3
59.07373	0.9
61.02920	1.3
67.05508	5.9
69.03439	1.2
69.39740	6.7
77.00920	0.8
77.03928	2.1
78.06331	5.8
78.52966	1.0
79.05476	1.6
80.05025	12.4
81.03423	2.7
81.07053	4.2
82.01434	4.9
88.02698	1.2
92.07913	1.1
93.53461	0.7
95.04972	100.0
95.08578	1.4
96.04488	6.7
96.05306	3.4
97.05296	1.7
100.02484	42.6
101.00885	2.0
101.02576	2.8
105.03433	1.2
105.04498	3.8
106.02901	0.8
112.03996	2.3
115.02441	0.7
117.10259	2.4
118.03527	42.4
119.01911	9.4
119.03649	2.9
120.14562	0.7
123.04438	42.0
123.05560	41.5
123.08049	2.4
124.03962	12.4
124.04809	1.8
124.05898	1.0
124.07572	1.4
124.08704	1.3
131.01906	1.2
137.02966	5.3
137.97331	0.7
140.03439	1.6
141.05070	1.7
142.03532	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02391	1.3
51.59118	0.6
53.03949	12.0
54.95652	0.6
55.01859	1.9
62.34654	0.6
62.69584	0.5
65.03936	1.1
65.31223	0.6
69.54620	4.5
74.06062	0.6
75.06416	0.7
77.03930	2.5
79.05489	1.2
81.03410	1.3
91.05485	51.3
92.05795	1.1
93.07048	54.9
94.07381	1.8
95.04974	33.0
96.05290	1.0
98.20751	1.2
102.04672	1.3
103.05472	65.7
103.41666	0.5
104.05819	2.8
105.04518	4.4
121.06508	100.0
122.06936	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02368	1.5
51.29546	0.6
53.03951	11.8
55.01867	1.7
64.26512	0.6
70.79401	0.9
70.79736	1.3
77.03914	2.3
81.03445	1.4
88.52242	0.7
91.05484	40.4
92.05789	0.6
93.07044	45.5
94.07354	1.4
94.78659	0.6
95.04970	22.1
102.04674	0.8
103.05471	55.4
104.05785	0.8
105.04518	4.3
111.13786	0.6
119.70851	0.5
121.06506	100.0
122.06809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0967
Annotation	Phenethylamine
Peak:m/z	Relative Intensity
51.02366	0.3
53.03951	2.4
54.03458	0.9
55.01872	0.2
56.96555	0.4
62.97309	0.2
67.02988	0.3
67.05490	0.9
67.06820	0.2
68.05026	1.1
70.59432	0.4
70.59788	0.4
77.03950	0.5
79.05498	4.9
80.05019	0.8
81.03387	0.2
81.04550	1.5
81.07066	0.3
82.04885	0.2
82.05327	3.0
90.27680	0.2
94.06590	0.3
94.65426	0.2
95.04973	24.1
95.06038	3.4
96.04509	0.6
100.02490	1.6
103.05482	2.8
104.05788	0.3
105.04589	1.4
105.07034	100.0
106.07364	5.1
107.07338	0.8
118.03525	1.3
122.06159	0.4
122.07162	6.9
122.09634	1.9
123.04431	7.5
123.05547	3.7
123.06415	0.2
123.08105	0.3
123.10020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
56.05042	0.5
56.96569	0.9
59.06129	14.6
60.03255	0.6
60.04526	1.4
61.02933	0.6
61.99789	0.5
65.03941	6.2
68.67952	0.5
70.16618	2.2
71.61304	0.5
74.06086	3.1
75.05599	1.1
76.07642	0.6
77.03535	8.4
79.05487	2.8
87.05585	3.7
89.44218	0.5
91.05484	100.0
92.05025	2.7
92.05815	3.5
93.04505	0.6
93.07047	1.1
95.04973	1.3
96.05298	0.6
98.20853	0.7
103.05482	3.7
104.06293	2.5
105.02648	1.0
109.06504	1.4
115.05453	1.7
117.07034	7.2
119.04944	23.8
119.06059	5.8
119.06835	1.3
119.08585	38.0
120.04461	2.6
120.05567	9.5
120.08094	2.3
120.08932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
55.77774	0.4
56.05025	1.1
58.06634	0.4
59.06129	4.9
60.03250	0.6
65.03944	9.4
74.06078	1.7
74.23668	0.4
75.05573	0.5
77.03533	6.6
79.05495	1.6
87.05593	1.0
91.05486	100.0
92.05016	2.0
92.05807	3.7
93.07066	0.7
94.04183	0.5
95.04972	0.8
98.21545	0.7
102.05537	0.6
103.05469	1.8
104.06260	1.1
109.57561	0.4
111.56456	0.4
117.07024	3.4
119.04955	32.1
119.06065	3.5
119.06850	1.2
119.08584	21.9
120.04491	2.6
120.05569	7.1
120.08122	1.5
120.08901	0.6
121.03956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
53.03963	0.5
53.34388	0.5
56.05023	0.7
56.96560	0.9
57.38521	0.5
59.03736	0.5
59.06129	13.5
60.03253	0.7
60.04533	1.2
61.02914	0.5
65.03948	9.8
71.98753	0.4
74.06084	1.7
75.05620	0.6
77.03532	5.9
79.05503	2.1
81.41968	0.5
83.33832	0.5
87.05599	3.1
91.05489	100.0
92.05041	2.3
92.05807	3.8
93.04537	0.9
93.07027	0.8
95.04974	1.5
96.05292	0.5
96.94223	0.5
98.21521	1.1
98.90617	0.5
101.47301	0.4
103.05490	2.5
104.06252	1.4
109.06511	0.9
117.07030	5.3
119.04961	29.9
119.06070	4.6
119.06844	1.3
119.08594	27.4
120.04485	3.3
120.05619	7.4
120.08126	1.7
120.08854	1.0
120.81654	0.4
121.03965	0.6
131.83977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.58907	0.6
57.86476	0.7
65.94415	0.6
71.02177	1.2
71.02510	1.1
71.04938	0.6
74.06094	0.7
91.05492	4.5
92.94035	0.6
93.07046	8.8
93.74545	0.7
95.04985	1.4
103.05469	40.9
104.05793	1.5
118.06558	1.0
119.07300	0.9
120.08108	100.0
121.08445	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25562	2.4
59.06126	100.0
60.04524	20.1
61.02917	5.3
62.06087	3.0
69.03400	4.3
69.89723	15.8
79.05510	3.6
87.05595	22.1
91.05482	74.8
100.02470	5.5
101.07146	4.4
107.03255	2.7
118.03514	6.8
119.01868	6.3
119.05022	3.2
119.06055	6.4
119.08524	13.8
120.05574	9.2
133.86760	2.7
137.02977	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.32348	0.4
53.03932	0.6
56.05022	0.7
56.96554	0.6
59.06124	8.6
60.04521	0.7
61.02902	0.4
61.45402	0.4
65.03938	9.3
69.85110	2.2
74.06074	2.0
75.05610	1.0
77.03524	4.4
79.05499	2.7
85.07679	0.5
87.05608	2.0
88.31074	0.4
90.57845	0.4
91.05479	100.0
92.04996	2.4
92.05814	3.1
93.04533	0.5
93.07035	1.3
95.04977	1.4
96.05328	0.5
103.05474	3.0
104.06261	2.1
107.04902	0.4
109.06521	1.9
115.05450	1.0
117.07009	8.0
119.04935	29.7
119.06040	5.7
119.06826	1.5
119.08577	32.3
120.04465	3.0
120.05569	7.9
120.08080	2.2
120.08913	1.6
121.03975	0.5
126.98222	0.4
139.60716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01600	2.7
51.02362	2.4
52.07922	1.9
52.11413	2.0
53.03949	22.1
53.26643	2.2
55.01892	2.9
55.05501	6.2
56.96576	2.6
58.06599	16.4
59.07384	16.7
61.73252	2.0
65.03918	3.0
69.92973	5.2
69.93383	8.1
70.84003	2.1
72.08154	29.4
74.06046	3.4
76.93359	3.2
77.03511	5.7
77.03922	3.0
79.05496	4.4
83.52367	14.2
91.05482	99.0
92.52395	2.3
92.52885	15.3
95.03169	10.5
95.04967	50.9
95.53308	3.6
101.53390	2.6
104.03668	7.2
104.06214	2.5
105.04498	13.2
106.53928	2.7
109.06535	4.3
114.52377	2.5
117.07037	14.1
118.06541	77.0
118.08652	100.0
119.04921	10.4
119.06115	11.2
119.06837	4.7
119.08560	54.6
132.27003	2.2
133.68806	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03944	5.7
54.03466	1.1
55.01855	1.4
55.05511	5.6
56.05034	9.1
56.96568	6.7
57.04555	2.1
58.02961	10.9
58.06604	9.6
59.06125	56.9
59.93107	1.4
60.04524	25.1
60.05826	1.4
60.06445	3.6
61.02908	3.2
61.04856	1.3
62.06086	1.7
65.03932	1.4
66.08983	1.0
68.95283	1.7
69.90034	2.3
69.90446	3.9
70.06579	1.4
71.06117	1.3
72.04517	23.9
72.06894	1.4
72.08155	22.9
73.04031	1.2
73.04833	1.1
73.08491	1.4
74.06076	8.9
75.05597	12.2
76.04006	9.0
76.05932	2.3
76.93370	14.3
83.06100	1.7
83.52346	3.1
84.04505	1.6
85.07665	1.9
86.06045	1.3
87.05589	9.3
88.07624	1.7
91.05482	58.9
92.05807	1.2
92.52872	4.7
94.94387	2.5
95.04962	9.2
98.21460	1.6
100.03976	5.7
100.07615	1.9
101.03484	1.1
101.07130	6.0
101.07851	2.1
102.05537	2.3
104.01810	1.9
105.02631	1.9
105.04496	3.1
117.05739	1.6
117.95983	1.5
118.03245	1.4
118.05033	4.5
118.06538	100.0
118.08646	6.9
118.10577	1.4
119.04869	2.1
119.06059	2.8
119.06887	3.1
119.08530	7.9
139.95193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02391	2.5
53.03950	23.6
55.05497	2.1
58.06600	17.5
59.07380	20.4
65.03935	3.2
70.01181	3.3
70.01601	9.0
72.08153	29.3
76.03987	3.0
79.05495	3.2
81.03368	2.1
83.52370	6.4
91.05486	81.4
92.52865	6.3
95.03166	3.9
95.04968	47.1
103.05464	3.6
104.03699	2.9
105.04539	11.1
115.54446	2.0
117.07009	6.0
118.03268	2.9
118.06537	66.8
118.08654	100.0
118.12317	2.2
119.04948	7.3
119.06059	9.0
119.08553	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.9
53.03949	15.4
55.01863	2.8
55.05512	16.7
56.05040	9.8
56.20580	1.0
56.96566	7.7
57.03427	2.2
57.04557	1.4
57.05364	2.2
57.05795	1.3
58.02965	7.7
58.06601	18.1
59.03730	1.3
59.04985	2.1
59.06125	66.8
59.07378	1.4
59.93098	0.9
60.04526	27.9
60.05824	2.0
60.06464	4.8
60.06717	1.2
61.02911	3.6
62.06076	1.6
65.03929	2.8
67.05495	1.9
68.05058	1.2
68.95293	7.4
69.03429	10.5
69.07060	1.8
69.85092	5.0
70.03765	1.3
70.06599	5.9
71.04981	0.9
72.04518	19.1
72.08156	100.0
72.93749	1.0
73.02910	2.5
73.08477	3.2
74.06083	13.9
75.05611	8.4
76.04002	5.9
76.07637	3.8
76.93376	10.0
77.00909	1.4
77.03912	1.8
77.07372	1.6
77.07990	1.7
79.05494	1.2
81.03398	2.7
82.01424	2.4
82.06599	1.8
83.01331	1.3
83.04935	1.2
83.52357	3.2
84.04491	1.1
84.08145	7.1
85.07670	1.9
86.02444	1.4
86.07872	1.3
87.00820	2.0
87.05591	8.7
88.07623	2.9
91.01754	0.9
91.05485	56.1
92.52847	2.9
94.06581	1.8
94.52422	1.4
94.54255	3.8
94.94398	3.7
95.04968	38.7
98.97578	1.0
100.02482	22.7
100.03973	3.9
100.07597	5.2
101.02534	2.7
101.05995	2.0
101.07132	6.7
101.07877	2.0
101.82154	0.9
102.02270	2.3
102.05534	2.2
102.09147	1.8
103.52094	1.1
103.54767	4.3
104.77139	0.9
105.04513	8.0
106.05045	16.1
106.55132	3.2
107.04915	1.0
111.06805	1.7
112.07613	21.1
112.95466	1.1
113.07968	1.4
115.05562	8.1
115.55635	2.6
116.05694	1.1
116.48122	1.4
117.55828	3.6
117.95983	2.2
118.03521	30.7
118.04991	3.9
118.06538	56.2
118.08651	14.7
118.10568	6.1
118.96800	1.1
119.01148	1.2
119.01935	14.3
119.03573	6.7
119.04943	5.2
119.06086	6.0
119.06832	1.7
119.08661	6.8
120.03253	3.0
121.03468	0.9
125.48668	1.1
127.03577	0.9
132.05006	1.0
135.97057	1.1
136.00092	1.1
136.04585	1.1
137.02957	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	1177.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06576	2.0
83.04977	2.2
83.80925	0.8
85.02895	4.0
91.05479	8.4
92.04972	0.8
93.05788	2.1
93.07038	8.8
94.06557	13.7
95.04958	4.6
95.07343	6.1
95.08611	1.6
96.08119	13.3
97.02899	2.6
97.06510	1.4
99.04478	1.0
102.98492	0.6
103.05484	2.2
105.07040	3.1
106.06570	2.6
107.04970	0.9
107.07314	1.3
107.08581	3.4
108.04482	5.8
108.08108	27.3
109.02866	4.7
109.06518	6.0
109.10157	2.6
110.06021	1.7
110.09676	21.8
111.04433	0.8
111.08077	0.9
115.05457	0.9
117.07015	0.9
118.06582	1.4
119.08584	2.6
120.04479	1.6
120.08105	16.5
120.08924	1.2
121.06511	1.7
121.10159	3.1
122.06009	14.8
122.09670	5.0
123.06871	0.8
123.08044	1.7
123.11729	1.9
124.07593	1.9
125.09547	0.8
127.03895	4.1
128.06256	1.0
129.06970	0.7
131.07423	1.0
131.08582	3.5
132.04428	1.6
132.08015	1.2
133.10114	3.7
134.06006	4.8
134.09669	1.1
135.08069	1.9
135.11722	0.7
136.07567	16.7
136.08548	1.3
137.05969	1.0
137.08318	0.8
138.09129	35.1
143.08553	2.0
144.04468	0.7
144.08089	1.1
145.10118	1.3
146.06013	2.9
146.09612	1.7
147.11720	0.9
148.07571	12.3
149.09682	0.7
149.13277	1.2
150.05521	1.4
150.09164	7.8
150.10333	1.0
151.07561	0.8
152.07072	4.8
153.09157	1.8
158.09706	1.6
158.10881	1.7
160.03935	10.7
160.07614	2.5
162.05542	1.3
162.09140	1.7
163.03877	0.7
163.11205	0.9
164.07100	2.6
164.10815	0.8
166.08629	39.6
167.14314	1.0
168.10249	1.2
172.03937	2.5
172.07655	1.1
173.13249	9.5
174.05568	3.0
174.09175	2.2
176.07060	1.0
177.05446	1.6
178.05035	2.8
178.08669	1.9
180.08255	0.7
180.10178	1.0
184.07553	1.4
185.23776	0.7
186.09155	3.1
188.10738	1.0
189.12740	1.1
190.05031	2.6
191.14301	5.3
192.06606	1.5
192.10115	0.9
194.08157	1.3
197.10820	2.0
198.09297	1.2
198.11520	0.8
199.08664	3.4
199.12384	0.7
200.07016	1.4
200.10773	1.4
202.05011	1.0
202.08635	1.3
204.06569	4.7
204.10265	1.1
206.08156	1.5
207.13876	1.7
208.09723	0.9
209.10684	1.2
209.15363	4.0
210.09486	0.7
210.11441	2.0
211.08601	5.7
211.12273	5.7
212.09441	2.6
212.13123	1.9
213.06653	1.9
213.10202	7.7
214.05157	0.8
214.08688	1.6
214.10754	0.7
216.10231	1.7
218.08150	0.8
218.11765	0.7
220.09909	1.4
221.10744	1.3
222.11557	2.0
223.08655	6.9
223.12163	4.2
224.09473	2.7
224.12958	0.8
225.06808	1.2
225.10207	26.4
225.13560	4.1
226.08763	1.2
226.10902	11.3
227.08282	1.3
227.11765	13.2
227.13924	1.1
228.10223	1.4
229.09570	1.0
229.13376	1.5
232.09787	2.5
234.11455	1.5
235.08569	4.7
235.12404	2.0
236.07307	0.8
236.09506	3.1
236.13068	1.7
237.10220	17.8
237.13809	5.2
238.10942	11.2
239.08191	11.9
239.11775	49.0
240.10257	1.4
240.12541	11.1
241.09764	2.1
241.13362	5.0
244.09756	2.3
246.11197	3.4
247.12312	1.3
248.09337	1.9
248.13196	1.3
249.10205	11.0
249.12814	0.8
249.14011	1.5
250.10950	14.8
251.08121	7.5
251.11784	48.8
252.06604	1.1
252.08760	4.0
252.12495	10.3
253.09796	19.6
253.13419	39.0
254.10474	11.0
254.13907	4.7
255.08516	0.7
255.11346	3.0
255.14925	1.5
257.09351	1.4
260.09204	1.5
261.10220	1.0
262.11084	2.5
263.08942	1.0
263.11786	29.8
264.09070	2.7
264.12567	8.7
265.09818	19.8
265.13428	47.4
266.10568	10.8
266.14096	6.6
267.11288	34.6
267.14899	5.2
268.12048	5.6
268.15363	1.2
269.09567	1.1
269.12915	4.6
271.10825	4.8
271.14056	0.9
274.10974	0.9
275.11844	2.8
276.12653	1.5
277.10190	4.5
277.13129	4.9
278.10284	7.6
279.07996	1.7
279.11264	31.7
280.11923	8.0
281.09753	2.0
281.12836	50.2
282.10214	1.2
282.13464	4.0
283.10858	10.8
283.14398	3.5
284.11465	3.9
285.12308	23.9
286.13141	5.0
287.14346	1.4
289.10059	0.9
289.13354	1.4
291.11353	11.9
291.14615	1.2
292.12054	2.8
293.09326	2.1
293.12781	25.6
294.13440	4.0
295.10864	4.9
295.14471	10.1
296.11624	3.5
296.14716	0.9
297.12347	16.4
297.15765	1.2
298.13043	7.1
299.13858	21.9
300.14624	2.3
301.15710	0.7
303.11417	2.2
305.09464	1.2
305.12875	3.4
305.16025	0.8
307.10825	6.1
307.14172	1.6
308.11478	1.6
309.12320	48.7
310.12946	6.2
311.10419	1.3
311.13861	31.5
312.14648	4.5
313.12222	1.2
313.15564	7.6
314.12912	1.3
314.16507	0.8
315.14526	0.8
317.12906	2.1
318.13599	1.1
319.10876	5.4
319.14478	1.5
320.11639	2.0
321.12317	11.9
321.15717	0.7
323.10352	1.6
323.13782	6.9
324.11090	1.6
324.14676	1.6
325.11871	6.8
325.15573	3.1
326.12692	2.2
327.13370	34.0
328.14185	2.4
329.15494	1.2
330.16223	1.8
330.20041	0.7
333.12360	1.8
335.14011	2.5
337.11804	6.3
337.15491	1.1
338.12506	4.1
339.13348	11.2
339.16870	1.0
340.14142	1.7
341.14963	46.2
342.15836	3.1
343.13794	0.8
344.14017	2.4
344.17752	1.5
345.11868	1.1
347.13940	1.2
351.13324	7.1
352.14441	2.2
353.14941	17.4
354.15820	1.9
355.12851	1.6
355.16766	3.6
356.13901	2.0
357.14606	8.8
358.15625	3.9
359.16257	4.9
360.17142	2.3
362.18713	1.0
364.14090	1.3
365.11145	1.0
365.15158	1.1
366.15762	0.9
367.12692	1.1
367.16702	1.1
368.13867	1.3
369.14420	32.5
370.15210	3.3
370.19519	0.9
371.16037	18.5
372.13071	1.1
372.17023	4.8
373.17929	1.1
374.18793	1.9
375.13245	1.5
377.15158	1.3
379.12875	2.1
379.16916	1.5
380.13806	0.9
381.14294	4.7
382.15494	1.1
383.16168	6.1
384.17093	1.8
385.17953	1.0
386.14523	1.4
386.18817	3.1
387.15652	1.7
388.16776	2.3
389.15256	2.2
393.14548	2.2
395.16064	2.9
396.17233	1.6
397.17853	1.6
398.14636	1.3
398.19183	1.0
399.15527	4.2
400.16110	3.7
401.17206	6.6
402.18130	2.4
403.12915	1.1
404.20010	1.5
405.14648	2.3
406.17249	0.7
407.16168	6.3
409.17795	2.6
411.15509	17.4
411.20587	1.1
412.16495	2.9
413.17120	12.7
414.18082	6.8
415.18851	1.4
416.19629	4.3
417.14624	2.3
418.17566	3.4
419.16351	1.3
420.19177	1.9
421.17938	1.4
423.15314	3.9
424.16727	1.3
425.17191	9.2
426.18039	2.0
427.19055	1.9
428.20105	1.1
429.16537	12.8
430.17343	5.4
431.18253	1.2
432.19144	5.9
433.13611	0.8
433.19736	1.2
434.20828	2.4
435.15503	17.0
435.21021	1.3
437.17197	5.4
438.18121	1.2
439.14621	2.0
440.15866	3.1
441.16379	6.2
442.17380	3.9
443.18228	18.3
444.18970	2.7
446.20914	2.5
447.15778	1.9
448.18704	2.2
450.20447	0.9
451.15057	1.9
453.16519	35.2
454.17160	2.7
455.18085	8.6
456.19025	2.2
459.18100	1.4
460.18604	6.0
462.20178	2.5
463.14886	3.8
464.15686	1.3
465.16595	7.4
466.17639	1.9
467.18225	6.5
468.19330	0.8
469.16406	2.6
471.17615	42.7
472.18018	4.0
473.19189	11.7
474.20291	9.5
475.20508	1.0
479.18613	2.1
480.21326	2.8
481.15759	6.6
482.16953	3.1
483.17587	9.7
484.18140	1.0
485.19391	5.7
486.19730	1.1
489.19135	0.8
490.19714	1.7
492.21283	13.2
494.22504	1.1
495.17435	3.3
497.19168	6.2
498.20007	2.8
499.17599	1.5
501.18640	3.6
502.19464	3.7
503.20343	7.4
504.21088	1.8
506.23175	3.4
507.23599	1.0
510.20471	1.3
512.21899	2.0
513.18597	19.1
514.18921	3.7
515.20227	22.5
516.21210	2.8
522.22516	7.8
528.21466	2.5
530.22858	1.2
531.19598	7.2
532.20764	1.2
533.21106	9.2
534.22302	12.9
540.21289	2.2
541.18243	1.1
542.22943	1.1
543.19550	1.0
544.24847	1.0
546.22510	1.0
548.23730	1.5
550.21051	1.1
553.22760	1.1
554.22888	1.9
556.20667	4.8
558.22400	3.4
560.24237	2.3
562.21796	2.9
564.23688	1.9
568.20703	3.4
570.22400	1.5
572.23767	2.3
574.21716	5.7
576.23273	3.2
582.23761	2.5
585.24670	1.5
586.21570	8.0
588.23334	23.9
589.24097	1.3
590.25061	2.3
592.22687	6.7
594.24432	50.2
595.24811	3.9
600.13776	1.3
600.23383	19.8
602.25458	1.7
603.25671	2.4
604.22632	9.6
606.24414	25.4
610.23877	1.5
613.26605	2.4
616.23505	0.9
618.24469	32.4
619.24933	1.6
620.26099	1.9
622.23938	4.2
624.25458	62.0
625.26239	2.3
627.28162	4.6
630.23779	1.5
631.25470	2.2
632.26105	5.8
634.23688	1.1
635.24908	1.1
636.25488	80.2
637.25940	2.8
638.27313	1.3
641.23828	0.9
642.26489	1.7
643.27686	1.1
645.28900	4.1
648.25873	1.0
649.26251	1.1
650.27179	2.4
652.24939	2.7
654.26501	24.6
655.27386	1.2
664.24957	16.1
666.26355	1.8
667.27637	4.0
668.28204	5.6
675.27655	1.5
677.29370	2.1
685.28363	1.0
687.30206	11.2
693.28967	6.2
695.30591	1.4
703.27362	4.1
707.30750	20.3
711.30151	3.2
713.32172	1.0
714.26709	2.5
718.25562	1.5
720.27509	1.2
721.28674	19.0
722.28479	1.4
725.31769	69.3
726.31396	2.2
729.31085	2.8
730.25671	1.4
731.32788	1.1
732.27594	2.6
735.30261	8.8
739.29596	17.3
740.29974	1.3
743.32758	24.1
744.31866	0.9
750.28680	5.6
751.31201	0.8
753.31244	100.0
754.31055	6.0
757.30750	21.4
758.30884	1.5
761.33856	17.8
762.28577	10.3
766.27936	1.8
771.32288	44.9
772.33026	2.7
775.31689	4.3
780.29492	1.1
786.30835	2.1
789.33362	81.3
790.34094	3.4
797.30609	1.3
798.31036	7.3
807.33752	1.7
814.39063	2.1
818.38544	1.2
826.29730	2.1
829.32635	3.3
830.35571	1.4
832.40692	2.0
833.33801	4.4
847.32635	3.4
851.35291	4.7
855.34906	1.5
862.40759	1.6
865.33124	1.6
869.36285	3.3
879.34912	4.2
883.33252	4.8
887.36798	7.0
897.35052	3.8
901.35956	1.6
905.38855	1.6
915.36188	9.7
919.35394	4.1
920.36017	1.1
933.37537	2.9
951.38586	5.4
965.45245	1.2
997.47443	1.2
1023.43561	0.9
1055.47974	0.8
1159.53113	1.4
1177.52087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1152.6442
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05826	0.1
81.03436	0.1
81.07056	13.2
82.07391	0.2
83.04984	0.4
83.08617	1.2
85.02909	0.1
85.06541	0.2
91.05479	4.3
93.07041	9.7
94.07375	0.1
95.04975	1.1
95.08604	12.1
96.08937	0.2
97.06535	0.6
97.10162	0.5
98.06049	0.2
98.98455	0.3
99.08076	0.2
105.04509	0.3
105.07026	2.7
107.04922	0.1
107.08594	4.9
109.06501	0.5
109.07179	0.1
109.10159	4.8
111.08077	0.2
115.05408	0.1
117.07014	0.9
119.08585	2.1
121.10142	4.0
123.08089	0.2
123.11713	1.3
124.01588	0.3
125.09611	0.2
131.08556	1.4
133.10133	1.7
135.10677	0.1
135.11691	2.3
137.05971	0.1
137.09575	0.2
137.13257	0.3
142.02652	0.1
145.06522	0.1
145.10118	1.1
147.11684	1.0
149.09552	0.1
149.12186	0.1
149.13271	1.1
151.11241	0.1
159.11661	0.6
161.13283	0.6
163.11174	0.1
163.14812	0.3
173.02199	0.1
173.13268	0.6
175.14827	0.3
177.12643	0.1
179.14328	0.2
187.14816	0.3
198.05278	0.5
200.15572	0.1
201.16386	0.2
206.11705	0.2
213.76317	0.1
216.06367	0.6
250.14432	0.1
261.22165	0.7
301.51877	0.1
304.26370	1.7
305.26782	0.1
335.25787	100.0
336.26126	3.2
458.26898	0.9
476.27740	7.8
477.28094	0.2
758.13770	0.1
854.21466	0.1
1152.61499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.529
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	6.0
81.05779	0.7
81.07056	1.4
82.06569	1.0
83.04986	1.4
83.08624	0.7
85.02905	3.8
85.06532	0.9
91.05480	6.3
92.05006	0.7
93.05784	2.3
93.07031	7.5
94.06564	13.6
95.04972	4.2
95.06789	1.0
95.07349	8.1
95.08612	5.6
96.04539	0.7
96.08129	14.4
97.02886	2.7
97.06531	1.5
103.05482	1.8
104.05021	1.0
105.03362	0.6
105.05766	1.1
105.07033	3.3
106.06567	2.6
107.07355	3.4
107.08589	1.7
108.04482	5.9
108.08117	27.6
109.02872	4.5
109.06525	1.3
109.08927	0.9
110.06035	1.5
110.09682	23.1
111.04469	0.9
115.05445	1.0
117.06983	0.6
118.06573	1.6
119.04961	1.0
119.07310	0.9
119.08569	3.6
119.92944	0.5
120.04483	0.9
120.08104	20.4
121.06506	1.3
121.10159	1.7
122.06028	14.7
122.06879	1.0
122.09662	5.5
123.04438	0.8
123.06783	1.3
123.08092	2.1
124.07598	2.2
124.18046	0.5
127.03926	4.5
130.06558	0.9
131.08516	1.0
132.04466	1.8
132.08081	1.4
133.04977	0.7
133.06505	1.0
133.10150	2.8
134.05998	4.3
134.09662	0.9
135.11720	0.6
136.07587	17.8
137.06081	0.6
137.08368	1.7
137.09525	0.8
138.09134	37.3
141.06984	0.7
144.04512	0.8
144.08115	1.0
145.02893	1.0
145.05150	0.7
145.10126	0.8
146.06035	2.7
146.09651	1.1
147.11728	1.8
148.07574	12.5
149.09651	1.5
150.05544	1.4
150.09145	8.2
151.07518	0.8
152.07050	4.3
158.09686	1.5
159.11804	1.0
160.03943	13.3
160.07579	2.7
161.09648	0.6
161.13309	1.6
162.05516	1.4
162.09108	1.5
164.07031	3.9
166.08636	46.1
167.09167	1.0
168.10295	0.8
170.09660	1.3
171.11714	0.9
172.03925	2.8
172.07652	0.8
173.08443	1.0
173.13165	0.6
174.05545	2.7
174.09143	2.3
174.10451	4.8
175.03882	1.2
176.07098	1.3
177.05550	1.5
178.05040	2.6
178.08682	1.4
180.10216	1.3
182.08344	0.8
184.07463	0.8
186.05600	1.0
186.09154	2.2
187.08708	0.8
188.10742	1.0
189.12749	14.6
190.04941	2.8
190.08629	1.2
192.06621	2.3
194.08084	0.8
196.07654	0.8
196.09901	1.5
197.07120	0.6
197.10732	1.7
198.09238	1.5
198.11499	0.9
199.08592	2.7
199.12219	0.7
200.07077	0.6
200.10774	2.7
202.05020	1.9
202.08745	1.3
204.06546	4.5
204.10222	1.3
206.08150	1.2
207.06500	1.2
207.13887	1.1
208.09682	1.4
208.11481	0.8
209.10667	1.2
210.09344	0.8
210.11539	1.8
211.08618	4.5
211.12234	5.2
211.13750	0.5
212.09323	1.4
212.13010	1.3
213.06689	1.8
213.10216	8.6
214.08662	2.4
216.10228	3.9
218.11913	1.1
219.07646	0.8
220.10007	0.7
221.10782	1.2
222.11563	1.9
223.08662	9.1
223.12134	4.0
224.09158	2.9
224.13132	1.6
225.10228	27.0
225.13655	5.3
226.08798	1.0
226.10933	11.9
227.08163	2.0
227.11755	12.6
228.10272	1.5
228.12367	1.2
229.13426	1.9
230.08319	0.7
232.09717	2.3
233.10605	0.9
234.11403	1.1
235.08586	5.1
235.12411	2.6
236.09277	4.7
236.13101	1.3
237.06665	0.8
237.10226	17.8
237.13799	5.9
238.10925	13.9
238.14590	0.8
239.08200	13.1
239.11850	48.7
240.12523	12.8
241.09766	2.3
241.13318	6.1
242.14297	0.7
244.09793	2.5
246.11327	2.8
247.09325	0.6
247.12350	1.7
247.92334	0.5
248.09474	2.2
248.11156	0.6
248.13150	1.0
249.10219	10.4
249.13998	1.3
250.10997	13.0
251.08113	6.9
251.11790	49.0
252.08870	4.2
252.12509	10.2
253.09807	19.8
253.13435	41.9
254.10567	15.6
254.14030	4.3
255.07762	0.9
255.11264	3.9
255.15120	0.7
256.12146	0.7
257.09332	0.9
260.09262	1.3
261.10284	1.1
262.11121	2.1
263.08960	1.5
263.11798	29.5
264.09174	2.6
264.12534	7.3
265.09830	19.3
265.13440	45.4
266.10574	13.5
266.14105	6.6
267.08405	1.6
267.11362	33.5
267.14926	5.5
268.11984	6.1
269.12766	4.4
271.10712	5.6
271.14352	0.7
274.10919	1.1
275.07565	0.6
275.11932	2.9
276.09909	0.8
276.12604	1.7
277.09821	5.8
277.13452	6.2
278.10394	8.8
278.13614	0.7
279.11285	30.7
280.12030	7.8
281.09772	2.4
281.12845	57.1
282.10257	1.5
282.13599	4.0
283.10861	9.2
283.14462	3.4
284.11514	4.6
285.12320	23.6
286.13098	5.9
289.10062	0.6
289.13452	2.0
290.10583	0.9
290.13974	0.9
291.11273	13.2
291.14429	1.0
292.11868	4.3
293.09357	2.4
293.12799	26.5
294.10568	1.2
294.13617	4.4
295.10861	7.0
295.14490	9.2
296.11496	4.9
297.12326	14.5
297.15659	0.8
298.13101	7.3
299.13925	20.3
300.14636	2.7
302.13770	0.9
303.11340	1.6
303.14786	0.7
305.09561	1.4
305.12897	3.0
305.16064	0.9
307.10849	6.9
307.14224	1.0
308.11517	1.7
309.12326	49.6
310.12875	5.1
311.13876	32.9
312.14642	3.4
313.11981	2.3
313.15546	7.7
314.13062	0.8
316.14752	1.3
317.12906	1.8
319.10864	5.4
319.14417	1.5
320.11484	1.4
321.12314	15.9
322.12906	1.8
323.10324	1.4
323.13977	5.1
324.11292	1.1
324.14871	1.6
325.11896	8.0
325.15607	3.1
326.12790	3.3
326.16376	0.8
326.21353	1.0
327.13391	35.4
328.14163	3.8
329.12323	1.0
329.15796	1.4
330.12531	0.9
330.16107	2.0
331.14032	1.3
332.17773	0.9
333.12357	2.4
335.13956	1.7
336.11115	0.9
337.11975	6.0
337.15414	1.0
338.12656	2.8
339.13406	13.6
340.14105	2.8
341.14969	48.7
342.15866	3.5
343.13339	1.4
343.17282	0.9
344.14047	1.6
344.17621	1.9
346.15695	0.9
347.14008	1.4
349.11884	0.9
351.13361	8.4
351.17136	0.9
352.14087	1.5
353.14963	18.7
354.15869	1.7
355.12857	0.9
355.16989	3.0
356.13867	2.5
356.17731	1.4
357.14572	8.0
358.15546	4.5
358.19336	1.0
359.16348	4.5
360.17142	1.9
363.13455	1.4
365.11124	0.9
365.15222	1.4
367.12857	1.5
367.16794	1.9
368.13931	1.7
368.18082	1.0
369.14478	33.2
370.15320	4.5
370.19366	1.1
371.16110	17.3
372.17151	5.3
373.17795	1.9
374.14764	1.3
374.18973	1.4
375.13260	0.8
377.15173	1.1
379.13034	2.2
379.17130	1.2
380.13773	1.6
381.14407	5.3
382.15549	2.0
383.16119	6.2
384.17133	2.0
385.17831	2.0
386.14523	1.4
386.19012	3.4
387.15738	3.0
388.16458	1.4
388.20749	1.0
389.15317	2.1
391.16818	1.7
393.14352	2.8
394.15408	1.1
395.16089	2.7
396.17139	1.3
397.13486	0.7
397.18066	1.4
398.18832	1.3
399.15424	4.1
400.16367	4.4
401.17221	6.1
402.18085	3.6
404.20062	1.4
405.14719	2.2
407.15988	8.8
408.17072	1.7
409.17773	2.4
410.14548	1.1
411.15500	17.9
411.20602	1.2
412.16272	3.8
413.17096	11.3
413.22174	1.0
414.18179	7.1
415.18893	1.2
416.20047	5.3
417.14117	2.9
418.17450	3.4
419.15909	2.9
420.19278	2.8
421.17831	1.8
423.15387	3.7
424.16495	1.5
425.17136	11.9
426.17697	2.0
427.19125	1.4
428.15393	0.8
428.20276	0.8
429.16583	13.9
430.17468	6.5
431.17926	1.4
432.19150	6.5
433.14038	1.7
433.19705	1.4
434.14926	1.1
434.20905	1.4
435.15555	19.7
436.16351	1.9
437.17126	7.0
439.14197	3.3
440.15469	3.3
441.16479	8.4
442.17572	5.0
443.18185	17.5
444.19061	3.1
445.14197	1.1
446.15350	1.0
446.21307	2.8
447.15295	3.7
448.18402	3.3
449.17227	0.9
451.15237	1.6
452.15747	1.6
453.16556	45.8
454.16641	3.8
455.18079	9.3
456.18921	1.7
457.16849	1.0
458.17310	1.2
459.17520	2.4
460.18536	4.7
461.19180	1.4
462.20282	3.3
463.14795	3.3
464.15692	1.3
465.16599	10.5
466.17450	2.3
467.18216	7.5
468.18829	1.1
469.15771	3.4
470.17032	2.1
471.17642	48.8
472.18155	4.1
473.19193	12.6
474.20364	9.4
475.20621	1.4
476.22183	0.9
479.18033	1.6
480.21204	1.9
481.15842	7.4
482.16367	3.4
483.17542	10.2
484.18625	2.2
485.19135	8.1
489.18735	1.3
490.19794	2.4
492.21335	9.8
493.21832	0.9
494.22803	1.3
495.17474	4.4
497.19250	6.3
498.20172	2.6
499.16586	3.3
501.18613	4.2
502.19482	4.2
503.20132	6.2
504.21243	1.8
506.22989	3.0
507.23645	1.2
512.22137	1.5
513.18524	15.7
514.19580	2.2
515.20184	20.5
515.27448	1.1
516.21259	2.6
522.22266	7.9
523.23016	0.8
528.21130	3.4
530.22974	2.3
531.19556	5.9
532.20471	1.4
533.21124	8.1
534.22345	13.4
540.20795	1.3
542.22986	1.8
543.20917	0.8
544.24359	0.9
546.22632	1.8
550.19965	1.0
553.22363	1.3
554.23242	0.9
556.20453	5.3
558.22339	3.4
560.24072	2.2
562.21594	3.2
564.23480	1.4
566.25018	0.9
568.20636	2.8
570.22394	1.8
571.22839	1.3
572.23993	2.7
574.21692	6.7
576.23242	3.7
582.24152	2.6
585.25323	1.0
586.21863	9.2
587.22589	0.8
588.23376	26.1
589.23798	1.8
590.24738	1.9
592.22809	10.0
593.23010	1.0
594.24481	40.3
595.24945	4.2
600.23438	19.9
601.23816	1.7
602.25153	1.4
603.25287	1.9
604.22784	12.0
605.22766	0.8
606.24487	27.0
607.25311	1.3
610.23877	3.6
613.26550	3.4
614.25977	0.8
617.24054	0.8
618.24451	35.6
619.25110	2.3
622.23810	7.7
624.25494	59.0
625.25629	3.8
627.28088	3.1
630.24371	1.6
631.25494	2.3
632.25751	4.6
634.24457	0.9
635.25586	0.8
636.25507	76.7
637.26184	4.7
639.21497	1.0
641.23529	0.9
642.26483	3.3
643.27954	1.1
645.29138	2.6
646.23969	1.3
648.26251	1.2
650.26703	1.4
652.25006	2.3
654.26501	21.0
655.27045	2.5
659.29608	0.9
660.25201	0.9
664.25000	12.3
666.26349	1.0
667.27686	2.6
668.28418	4.3
669.29059	1.5
675.28149	2.4
677.31049	3.4
684.27869	0.7
687.30127	11.1
689.30365	1.0
693.29022	6.6
695.30396	1.5
700.24500	0.9
703.27771	3.4
707.30792	20.4
708.30804	1.4
711.30420	4.6
713.31812	1.1
714.26678	2.6
718.26038	1.1
720.28406	1.0
721.28680	21.9
722.29596	1.6
725.31824	56.9
726.32825	5.3
729.31537	2.5
730.26337	1.9
732.27325	2.4
735.30170	8.5
736.30115	0.9
739.29730	20.2
740.29596	2.2
743.32819	22.2
744.32013	2.0
750.28882	6.5
753.31274	100.0
754.31171	9.8
757.30737	36.3
758.31012	3.7
761.33954	13.4
762.28400	10.8
763.30176	0.9
766.28369	1.7
771.32336	41.8
772.33014	2.8
775.31915	7.2
776.35504	1.5
780.32043	1.2
786.30804	1.4
787.32861	0.9
789.33362	74.0
790.34113	7.5
793.31134	1.0
794.35168	2.1
797.29840	0.7
798.35449	8.5
807.34601	3.6
810.36041	8.9
811.36926	1.0
812.36963	2.7
824.37781	1.6
826.30304	1.5
828.36493	2.9
829.32867	2.1
830.38751	7.2
833.33936	2.7
842.38641	12.7
843.39172	1.7
847.31921	1.7
851.35114	2.6
860.39453	7.7
861.33850	1.0
865.32776	1.0
869.36072	2.8
879.34113	4.3
883.33197	3.7
887.37103	5.3
897.35364	2.4
901.34601	2.2
905.37567	1.6
915.36542	6.5
919.36212	3.6
933.37360	2.6
935.45044	1.1
945.42615	2.5
951.38287	3.9
963.43634	10.2
964.44055	0.9
977.44562	1.7
981.43359	1.7
995.47003	3.3
1004.44281	0.8
1022.45135	0.8
1038.25952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05499	4.8
80.05015	2.1
81.03413	9.8
81.07042	2.6
85.02901	5.6
89.03911	20.1
91.05471	8.2
93.05785	2.0
93.07024	5.8
94.06562	15.9
95.04949	4.8
95.07339	5.3
95.08609	2.7
96.08122	10.9
97.02909	4.1
97.06499	2.4
98.20835	2.6
99.04492	1.7
103.05423	3.2
106.06578	2.3
107.07368	3.3
108.04470	5.0
108.08111	25.6
109.02877	5.7
110.09689	19.3
117.03368	33.9
120.04445	1.7
120.08072	14.3
122.06007	10.9
122.09639	8.9
123.06774	1.6
124.07580	2.0
127.03899	6.1
131.07323	1.9
134.03638	2.3
134.05998	3.1
135.04373	2.5
136.07558	18.1
137.05954	4.1
138.09134	32.6
138.83656	1.3
144.08076	2.8
144.31062	1.4
145.02838	62.6
146.05981	3.4
146.09683	2.1
147.04398	2.2
148.07578	10.3
149.05939	8.4
150.05493	1.4
150.09187	11.3
152.07039	4.3
158.05919	1.6
158.09613	1.9
160.03928	10.0
162.05464	3.4
164.07059	4.6
166.08629	34.6
167.07178	1.8
172.03915	2.5
174.05507	3.7
174.09135	1.9
177.05466	100.0
178.04901	1.8
186.05470	4.8
190.04976	2.0
190.08513	2.1
194.08040	1.9
197.10663	1.6
198.09241	1.8
199.08707	2.7
200.06966	2.3
202.05040	2.1
202.08649	2.0
204.06618	4.4
208.09718	2.2
210.11354	1.7
211.08653	6.0
211.12338	5.4
213.10194	5.8
216.10165	2.2
222.11455	2.8
223.08693	8.4
223.12317	5.3
224.12869	1.5
225.10211	29.2
225.13838	3.7
226.10881	12.1
227.11736	13.4
228.10249	2.2
229.13327	2.9
232.09837	2.1
235.08688	4.6
235.12318	2.7
236.09395	4.2
237.10240	15.4
237.13936	2.0
238.10971	14.3
239.08179	8.6
239.11783	42.6
240.12494	13.1
241.13400	5.9
246.11365	2.8
248.09158	2.1
248.13116	2.5
249.10172	12.0
250.10912	14.2
251.08136	9.5
251.11771	45.4
252.08900	2.8
252.12555	10.6
253.09731	14.3
253.13382	37.1
254.10503	16.8
254.14078	3.3
255.11160	4.1
260.09555	1.7
262.11084	2.9
263.08780	2.4
263.11792	31.4
264.09045	1.5
264.12534	8.4
265.09756	17.5
265.13348	49.1
266.10498	10.1
266.14050	5.3
267.11292	30.1
267.14893	4.4
268.12006	5.2
269.12738	4.7
271.10858	5.2
275.11731	3.0
277.09677	5.2
277.13385	4.0
278.10471	8.7
279.11273	29.6
280.12061	8.4
281.09766	1.9
281.12830	46.3
282.13504	2.8
283.10767	11.2
283.14490	5.2
284.11456	2.2
285.12338	19.9
286.13031	5.3
289.13354	2.0
291.11288	9.5
292.11948	2.8
293.09546	2.0
293.12799	23.8
294.13486	2.4
295.10797	5.6
295.14355	7.9
296.11374	3.9
297.12372	15.3
298.13110	6.2
299.10764	1.9
299.13953	18.8
300.14334	1.7
303.11401	1.8
305.12839	2.1
307.10669	4.6
307.14178	2.5
308.11554	2.1
309.12302	51.1
309.15732	3.4
310.12933	5.5
311.13849	31.7
312.14615	2.2
313.11807	2.6
313.15417	5.2
314.13046	2.2
319.10614	4.8
319.14191	1.9
320.11594	1.7
321.09323	1.8
321.12497	14.3
323.10452	2.3
323.14023	5.0
325.11832	4.4
326.12637	2.8
327.13416	33.8
328.13876	1.9
330.15945	2.0
337.11719	5.0
338.12518	5.8
339.10550	7.4
339.13443	10.3
341.14966	46.8
342.15598	5.0
344.13925	2.8
351.13351	13.2
353.14972	24.0
355.16693	2.0
357.14383	5.3
358.15472	3.4
359.16092	5.7
360.16824	1.9
369.14423	33.2
370.14929	4.5
371.16083	18.5
372.16907	4.8
373.17670	2.1
379.12689	3.5
381.14426	5.3
383.15939	7.2
384.16867	2.6
385.17578	2.1
386.19037	3.9
388.16412	2.0
395.15985	3.1
396.16803	2.6
398.14664	2.2
399.15558	2.8
400.16486	4.8
401.17023	5.7
405.14340	2.9
407.16000	5.5
408.16998	2.2
409.17627	2.5
411.15506	23.1
412.16016	3.5
413.17026	16.4
414.18167	7.8
416.19510	5.2
418.17361	3.2
419.16055	2.6
420.18811	2.0
423.15594	2.1
425.17029	9.2
429.16611	14.9
430.17178	3.6
431.18326	2.1
432.18979	4.7
435.15601	11.6
437.17084	6.0
439.14856	2.7
441.16516	9.7
442.17407	3.9
443.18304	12.9
444.19177	3.5
446.20297	2.6
448.18356	2.8
453.16537	31.8
455.17966	6.0
456.18826	2.0
458.17212	1.9
460.18646	4.9
462.20224	3.2
463.14777	3.1
465.16513	5.7
467.18179	3.5
470.16824	2.2
471.11142	3.2
471.17609	44.3
472.17929	3.6
473.19223	16.3
474.20303	13.0
478.21014	1.6
480.21094	2.1
481.16000	6.9
482.16879	1.7
483.17557	8.7
485.19159	5.5
490.19904	2.6
492.21420	13.3
495.17456	4.3
497.19046	4.5
498.20239	2.8
499.17191	4.6
501.18369	5.3
502.19772	3.7
503.19928	4.6
504.20441	2.1
506.22696	3.8
513.18634	16.8
515.20251	25.0
516.20941	2.2
522.22388	9.0
531.19568	11.1
533.21179	18.9
534.22247	16.3
540.21338	2.2
541.16919	1.8
542.22559	3.4
556.20477	2.9
558.22339	3.2
560.23584	1.9
562.21710	5.8
562.76917	1.7
564.23236	2.4
568.20532	5.9
570.21704	2.0
574.21515	5.5
576.23517	3.6
586.21533	12.1
588.23413	20.0
592.22778	7.7
594.24500	49.8
595.24768	3.4
600.23340	22.1
603.25348	2.2
604.22638	11.3
604.72137	1.7
606.24530	24.0
610.23657	3.5
613.26111	4.7
618.14319	1.9
618.24359	36.0
622.23779	10.2
624.25403	61.5
627.27783	4.5
632.25317	4.5
634.23792	2.1
636.25470	87.4
637.25635	5.9
645.29370	4.3
648.25311	1.7
650.26483	2.6
654.26642	36.3
655.26520	2.8
664.25146	13.1
666.26489	2.0
668.27649	4.7
675.28467	2.8
682.25842	1.9
687.30212	9.0
693.28668	6.1
707.30927	11.8
711.29675	4.6
721.28741	16.5
725.18958	2.8
725.31775	51.5
726.31421	4.7
729.31097	3.3
735.30103	6.2
739.29779	18.8
743.32745	19.6
753.31342	52.7
754.31311	4.0
757.30707	17.5
758.31061	2.3
761.33496	11.3
762.27380	1.6
771.19843	1.7
771.32489	29.5
772.31622	2.1
775.31561	4.9
789.33356	44.8
790.33276	2.5
812.29346	4.2
908.31079	1.9
926.32562	2.8
938.31415	2.2
974.34497	4.6
983.42200	2.1
1009.37604	1.9
1027.39319	2.2
1045.40601	3.6
1063.41663	9.9
1081.41626	2.2
1091.39600	2.5
1095.41016	3.0
1113.41614	2.3
1127.42151	2.9
1145.45935	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	1125.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
90.51854	0.1
150.18231	0.1
249.62737	0.1
262.84225	0.1
292.73825	0.1
311.25662	0.2
355.55466	0.1
396.12219	0.3
397.12930	0.9
398.13855	0.4
399.14316	0.3
409.12817	0.3
410.13800	1.0
411.14542	2.9
412.15262	2.4
413.16080	1.5
414.17157	0.1
423.15137	0.9
424.11044	0.5
424.16296	1.4
425.16290	7.1
426.16925	5.3
426.21567	0.1
427.17599	1.5
428.18536	1.2
430.16626	0.2
436.15558	0.2
437.11862	0.3
437.17285	0.6
438.12961	1.1
438.17200	1.1
439.13547	10.2
440.19052	4.3
441.19293	26.5
442.19559	1.7
443.17297	0.1
444.18372	0.2
451.13400	0.3
451.18140	0.4
452.14233	1.9
453.15268	12.6
454.15985	3.3
455.16833	0.4
455.22018	0.2
457.14658	0.8
458.15918	0.3
459.20645	0.3
463.13861	0.5
464.13889	0.1
465.15768	0.7
466.12527	0.3
466.17075	0.6
467.17163	20.4
468.11008	0.2
468.17874	9.5
469.18820	9.6
470.19833	0.6
471.16595	0.9
472.17529	0.4
477.15826	0.2
478.16376	0.4
479.16898	0.2
480.17773	1.2
481.14716	11.9
482.15323	2.4
483.16626	0.5
485.18555	1.1
486.18906	0.3
487.19791	0.3
493.16132	0.2
494.18365	0.7
495.16245	5.3
496.17157	9.5
497.18207	2.2
498.18536	0.5
499.16251	0.6
499.19876	0.7
500.15088	0.1
508.19955	1.2
509.18417	1.9
510.20197	0.4
511.20032	0.3
512.20514	0.9
513.18262	0.5
514.22510	2.3
515.20422	0.1
522.17828	0.9
523.19763	1.2
524.20184	0.4
525.17145	0.2
526.18750	0.2
527.23389	2.3
528.23230	0.4
536.19312	0.5
537.19641	0.8
538.19836	0.3
539.19525	0.4
540.19989	0.5
541.20392	0.2
542.21729	1.0
545.23615	0.5
555.22394	25.2
556.22900	1.5
557.21173	0.2
568.19525	0.4
573.23602	0.4
582.21130	0.3
583.21875	71.3
584.22125	3.8
585.21814	0.3
586.20819	0.8
587.25098	1.6
600.21643	0.3
611.21436	1.9
614.23480	0.9
615.24463	5.6
616.24695	0.2
628.20935	0.2
642.23224	3.7
643.23920	100.0
644.24091	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	111.0809
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03938	3.2
55.01875	5.5
55.05514	30.2
56.05022	2.8
56.96563	7.2
56.97434	0.8
57.03426	3.4
57.93560	1.7
60.04514	1.7
65.03939	2.0
67.05505	4.1
68.05032	6.8
69.03433	6.2
69.04552	1.8
69.07076	6.3
70.06593	44.4
70.16891	2.9
71.04971	1.9
71.06118	1.1
71.06980	1.3
71.07368	6.8
74.73852	0.7
76.51589	5.5
78.15293	0.9
78.99951	2.2
81.03416	1.0
81.07054	2.4
82.05284	1.2
82.06544	1.0
83.04980	11.7
83.06118	5.1
83.08611	5.9
84.04497	1.2
84.08157	4.8
85.07662	1.9
85.52107	4.5
87.00468	3.6
87.50586	2.5
88.00485	39.6
88.02370	3.3
88.50375	2.6
89.00262	9.6
91.05493	8.5
93.07042	21.3
94.06070	1.2
94.06568	8.8
95.04958	7.0
95.06086	2.8
96.06872	6.2
96.51140	1.2
97.01007	62.1
97.02913	2.3
98.00771	19.8
99.51273	8.1
100.51069	2.3
105.04518	0.8
106.01521	7.9
107.01294	2.5
108.51787	5.7
110.07170	1.3
111.04447	26.1
111.05579	10.1
111.06333	1.8
111.08085	60.6
111.09209	100.0
112.03969	4.0
112.04731	1.4
112.07633	8.8
112.08721	11.8
112.09545	2.3
113.96389	1.1
115.96442	21.6
116.97247	7.6
117.95983	7.6
118.96765	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	1117.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
78.20638	0.3
79.05488	7.2
81.03416	8.3
81.07056	10.1
83.01346	0.6
83.04980	42.8
83.08620	0.7
85.02903	94.5
85.06528	0.7
86.03243	0.4
86.06081	0.3
87.00826	20.6
87.04467	7.1
91.03948	1.1
91.05476	10.0
92.05776	0.3
93.06458	0.5
93.07044	9.2
95.04966	5.9
95.08602	5.1
97.02890	12.2
97.05904	0.5
97.06525	8.3
97.07135	0.5
97.10162	0.4
99.04456	5.4
99.08094	1.0
101.02402	0.6
101.06026	3.3
103.03942	1.0
103.05479	0.5
105.01865	18.1
105.07025	13.2
107.04958	2.7
107.08591	7.3
107.09289	0.5
109.02884	4.7
109.06519	24.4
109.10152	12.0
111.00810	1.1
111.04440	55.3
111.11700	0.4
112.04733	0.5
113.06019	1.5
115.03922	0.7
115.05425	1.8
115.07569	16.4
116.06256	0.4
117.05489	1.0
117.07005	4.0
119.08585	7.0
121.06531	1.0
121.10136	10.2
123.04468	0.6
123.08040	0.6
123.11726	1.9
125.06004	1.0
125.09575	1.4
127.03916	9.9
127.07555	0.4
127.11199	1.7
128.06210	2.9
129.05476	100.0
129.07019	5.6
130.05806	0.5
130.07811	0.5
131.08565	9.2
131.09508	0.6
133.10126	12.9
134.10490	0.3
135.04434	0.8
135.08102	0.3
135.11720	3.4
137.05971	1.4
137.13158	0.3
139.03891	0.3
141.05467	0.4
141.06978	2.4
142.07782	6.7
142.78806	0.3
143.03427	1.1
143.08566	7.8
144.09280	0.8
145.02718	0.3
145.04958	5.0
145.06256	0.4
145.06490	0.4
145.10118	10.8
145.12183	0.5
147.04401	0.5
147.06516	9.4
147.11684	19.4
149.05942	0.7
149.09615	1.4
149.13266	3.7
151.03880	0.6
151.07541	0.5
151.11168	0.8
153.05484	3.8
155.08551	2.6
156.09325	0.3
157.04987	2.6
157.10123	31.4
158.10498	0.8
159.06587	0.5
159.11690	14.4
161.04510	0.3
161.09602	0.4
161.13249	4.2
163.03882	0.3
163.06035	1.6
163.07320	0.3
163.11200	0.8
163.14804	0.5
165.05545	0.4
165.07683	0.6
165.09076	0.7
167.07103	0.5
167.10675	17.3
168.09311	0.5
169.04948	0.5
169.10114	2.6
169.12271	0.8
171.06520	1.2
171.11676	7.5
173.04507	1.3
173.13252	5.3
175.06070	0.5
175.11218	1.2
175.14857	1.1
177.05486	0.6
177.09196	0.3
179.07004	0.6
179.10684	0.5
179.29337	0.3
181.10233	0.7
181.12270	1.0
182.10893	0.7
183.06496	0.5
183.10194	0.5
183.11687	4.0
185.13252	3.0
186.13928	0.4
187.14832	1.4
188.09090	0.4
189.07588	0.6
189.16438	0.4
193.08614	0.7
195.06517	1.1
195.11609	0.7
196.12445	0.4
197.04468	0.6
197.11536	0.3
197.13248	5.9
198.13971	0.6
199.06151	0.3
199.14856	1.8
201.16441	0.8
203.05476	0.6
209.11652	0.5
209.13339	0.7
211.09692	0.4
211.14813	3.8
213.07584	1.7
213.16374	1.5
215.05498	36.6
215.17943	0.8
221.08073	0.6
223.14825	0.9
224.15639	1.1
225.07590	0.4
225.16350	2.4
227.17957	0.5
229.07243	0.4
229.19551	1.2
231.05066	0.6
231.08646	0.5
233.06560	64.5
234.06952	0.9
237.07530	1.3
237.16487	0.3
238.17130	1.2
239.09142	7.0
239.17900	0.5
249.06065	1.6
251.18016	1.3
253.19505	86.5
254.19905	2.4
255.08582	2.7
255.21077	4.5
257.07587	0.6
257.10214	8.7
265.19394	0.4
269.13855	1.0
269.18890	0.6
271.20563	52.6
272.20978	0.8
273.09671	4.3
275.07550	0.9
275.11258	0.8
277.19568	0.4
283.21039	0.6
283.24188	6.7
287.07721	0.4
291.10815	0.7
295.20676	0.4
299.07343	0.3
309.11774	2.5
310.52206	0.3
317.08633	0.4
325.09106	0.8
326.46173	0.3
343.10223	2.9
361.11292	12.0
363.23267	0.4
377.10754	0.8
379.12341	4.2
379.29984	4.8
381.24316	0.6
395.29471	0.6
397.31015	16.4
399.25250	0.6
401.14560	0.5
413.30493	0.5
415.32065	42.5
416.32324	1.3
417.26221	0.6
419.15591	0.4
433.25940	1.0
439.31949	0.3
485.25092	0.8
503.26855	0.4
505.15784	0.5
507.34589	0.4
523.16541	0.3
523.34308	0.5
525.35901	0.6
541.17773	0.7
541.35004	1.1
559.18384	0.6
559.36035	1.0
561.37848	0.6
577.37366	4.3
579.31708	0.6
629.37372	0.4
647.37640	0.4
665.31335	0.9
705.41034	0.3
721.41620	0.4
723.43079	0.8
807.41083	0.7
809.42371	1.1
811.37585	2.5
935.46539	0.6
937.46350	1.0
953.46411	0.7
955.49005	20.0
956.48071	0.9
1063.50183	0.5
1081.50671	1.2
1117.54358	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	110.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51651	0.6
53.03931	0.6
54.03458	0.8
55.01865	1.1
55.05513	2.8
56.04820	0.3
56.05037	2.7
56.96558	1.0
57.52452	0.4
57.93564	0.3
58.99861	1.2
59.52180	0.5
65.03928	1.2
65.52202	0.6
66.52962	1.0
67.02987	2.2
67.04229	0.3
67.05489	1.5
67.63503	0.3
68.02637	0.3
68.05028	2.5
68.95277	2.1
69.03131	0.5
69.03428	1.2
69.04546	1.6
69.05363	0.4
69.07069	0.7
69.70969	2.2
70.02962	0.6
70.05282	0.4
70.06594	6.4
70.52567	0.5
71.02985	0.9
71.07379	2.1
71.94108	1.0
72.04515	7.5
72.08136	0.6
72.93793	0.8
73.02734	0.5
73.05290	2.9
74.06076	1.7
74.52695	0.4
74.99826	0.8
75.49670	0.4
75.53492	11.8
76.03549	1.3
76.51592	0.7
76.53356	0.9
77.00903	1.3
77.99918	0.7
78.02854	0.5
78.03733	3.8
78.52955	1.0
79.01840	0.5
80.03503	0.6
80.04988	0.4
81.03414	1.5
81.04555	1.0
81.07056	0.4
82.01432	2.8
82.03745	0.8
82.05333	0.8
82.06584	2.2
82.07406	0.4
83.01552	0.4
83.04981	2.5
83.06095	4.8
83.06876	0.5
84.00349	0.4
84.03758	0.4
84.04528	0.8
84.08147	3.4
84.52948	0.5
84.54014	4.5
85.04095	0.5
85.53748	1.6
86.03501	0.6
86.50616	6.6
86.53612	0.7
86.99924	0.6
87.00467	20.0
87.04280	100.0
87.50618	0.8
87.53475	0.8
87.54349	17.1
88.00481	8.7
88.01022	0.5
88.03234	1.1
88.04136	4.9
90.53493	0.4
90.94817	0.5
93.04534	1.8
93.07049	0.6
93.53453	0.3
94.03261	0.5
94.05087	0.5
94.06572	3.7
94.54243	0.6
95.01964	0.7
95.04974	0.5
95.06104	0.7
95.51136	1.3
95.53211	0.4
95.54124	0.6
96.00984	4.0
96.03000	0.5
96.04799	18.1
96.06866	2.1
96.54879	3.1
97.01005	11.7
97.01501	0.2
97.02888	0.6
97.04633	0.8
98.01386	0.7
98.51260	2.2
98.52673	0.6
98.54521	0.4
98.55067	8.9
99.05161	1.4
99.51263	2.0
99.54063	0.6
100.02478	21.4
101.02556	2.7
102.02211	1.8
103.02438	0.5
105.00370	1.1
106.01513	1.4
107.53821	0.4
108.54642	0.4
109.07669	0.6
109.91709	0.6
110.06037	10.8
110.07166	6.6
110.07955	1.1
110.09718	0.4
110.10487	0.6
111.04436	6.2
111.05578	2.1
111.06291	0.5
111.08044	1.1
111.09200	16.8
112.03955	0.4
112.96718	3.3
113.96407	7.2
113.97163	0.6
115.01186	0.8
115.03552	0.9
115.96436	5.0
116.48144	0.4
116.97218	1.0
117.21801	0.3
118.03519	16.7
119.01915	0.7
119.03623	2.6
120.03283	1.6
121.03508	0.4
122.02967	0.4
123.01434	0.6
123.04049	1.0
127.03543	0.8
129.03979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	0.3
81.03419	30.6
81.07031	0.2
83.01353	0.5
83.04974	0.2
85.02903	2.6
85.51238	0.2
91.05483	4.9
93.07075	0.3
95.04974	1.6
97.02892	9.2
97.17043	0.2
99.00802	2.8
99.04455	10.8
101.02315	0.4
103.03944	3.2
105.07045	0.6
106.38300	0.2
107.04961	6.5
109.02879	100.0
110.03204	0.7
111.04427	1.0
115.03922	0.6
115.05440	0.5
116.98597	0.4
117.07042	0.4
119.04944	10.0
121.02842	2.2
122.06035	0.3
123.04412	2.0
125.02343	1.5
127.03916	75.4
128.04201	0.6
131.04939	0.6
131.08530	0.2
133.06454	0.4
133.10147	0.2
135.04446	0.6
137.02315	0.6
137.05954	0.8
139.03905	2.0
141.01810	0.2
141.05424	0.6
142.42720	0.2
144.05630	0.4
145.02921	0.5
145.04961	5.1
145.06470	1.3
147.04413	15.4
149.02348	2.1
151.03914	4.5
153.01808	0.3
153.05432	0.5
159.04349	0.2
161.05972	0.9
163.03922	0.6
165.01831	1.9
165.05478	0.7
165.06831	0.3
167.03374	0.7
167.08521	0.4
169.04967	45.9
170.05255	0.5
171.04494	0.4
173.05966	0.5
175.03876	0.5
176.10596	0.2
177.05472	0.9
179.03407	3.0
181.06482	0.4
181.10089	0.3
183.08020	0.4
187.06015	11.5
189.05467	2.1
191.03404	0.2
191.08533	0.7
193.04929	0.6
194.07181	0.3
195.08029	0.6
197.04425	0.3
197.05989	0.3
203.08752	0.2
207.02901	3.1
207.06407	0.6
209.09561	0.6
211.05972	4.4
211.07672	0.4
212.08340	3.0
213.09132	3.1
215.06845	0.3
217.04939	1.9
219.08087	1.3
221.04388	0.6
221.09685	0.3
223.07451	1.4
225.03935	2.5
225.09039	0.3
229.07074	20.5
230.07411	0.5
231.06493	0.7
235.05948	2.4
237.09088	3.6
242.03932	0.2
247.07506	2.2
248.88077	0.2
249.03912	0.6
249.09172	0.4
250.10927	0.3
253.07062	0.9
255.10167	1.1
259.05923	0.4
263.10669	0.4
265.08582	3.8
265.13107	0.2
267.05014	6.1
267.10431	0.2
269.08032	0.4
273.07608	1.5
275.07071	0.5
277.06979	1.6
283.09616	1.5
285.05972	0.5
287.05432	0.7
289.09171	12.3
293.08069	3.7
295.08209	1.9
303.09937	0.3
309.06061	1.9
309.11218	0.3
311.09146	5.6
312.09723	0.3
315.04929	0.9
315.08560	0.7
321.11194	0.8
327.07077	2.8
331.10223	0.4
333.05902	0.3
335.09265	0.4
337.08966	1.1
345.08130	2.0
353.10016	0.4
371.11172	0.3
375.07031	0.7
387.09329	2.8
391.10983	0.2
393.07922	1.1
397.11420	0.3
401.10245	0.5
419.11029	1.0
435.08624	0.5
453.09802	0.3
479.13223	0.3
495.11047	0.7
513.12604	0.3
539.15161	0.6
1021.76886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03940	5.6
56.96545	1.0
65.03942	11.3
66.03448	1.4
67.04255	5.1
67.05495	4.7
68.58356	0.9
79.05492	36.4
80.05013	15.9
80.05768	0.8
81.03442	1.1
91.05480	100.0
92.05777	1.9
92.06264	2.2
93.05795	1.0
95.04985	6.6
96.04467	1.5
105.04552	1.9
105.07030	32.7
106.06563	1.0
107.04958	37.2
107.06074	12.8
107.08594	54.8
108.04485	4.1
108.05629	5.0
108.08124	3.4
108.08862	1.5
109.06512	22.6
119.06080	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
56.96563	1.9
61.05063	1.8
61.64529	1.7
65.03934	12.3
67.05498	7.8
71.15300	3.4
71.15628	2.1
79.05494	76.4
79.28860	2.1
80.05027	10.9
80.05825	2.0
81.21751	1.9
84.70835	1.7
91.05486	100.0
92.06273	5.7
92.91152	1.8
93.05799	3.2
95.04964	17.2
96.04479	1.9
102.75877	1.7
105.04506	3.5
105.07027	29.3
105.20627	2.0
106.06553	2.5
107.04960	76.3
107.06078	3.2
107.07440	2.0
107.08598	45.3
108.04511	16.0
108.05206	3.3
108.07435	2.0
108.08122	11.1
108.08820	2.7
109.06527	18.8
119.06066	7.0
122.19224	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03952	7.1
55.01852	2.0
58.80908	1.6
65.03940	12.7
67.05511	7.0
69.62157	7.2
69.62573	2.6
79.05495	73.5
80.05013	7.7
80.51071	1.2
91.05482	100.0
92.05774	3.1
92.06268	2.1
93.05784	4.1
95.04984	12.7
96.04476	2.0
98.20801	1.6
105.04504	2.0
105.07043	33.2
106.06559	2.4
107.04961	64.4
107.06862	2.4
107.08589	43.1
108.04490	12.8
108.05593	2.5
108.08130	12.3
109.06498	15.5
119.06068	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02362	1.8
53.03947	10.9
55.01861	1.3
56.05042	0.9
56.96561	9.3
65.03934	2.1
66.03450	1.1
67.02959	0.8
67.04244	15.9
67.51116	0.7
70.24181	3.5
72.93784	0.7
73.05264	1.2
77.03932	0.9
79.05489	100.0
80.05016	25.2
80.05814	3.0
80.06259	1.2
81.03400	1.3
81.04543	2.4
83.52353	2.9
84.01560	6.3
84.08117	0.9
89.03506	1.0
91.05479	26.6
92.52879	2.1
93.02077	3.4
93.05796	1.0
95.04963	22.9
96.04501	1.4
98.21425	0.9
98.38255	0.7
100.02451	1.0
105.04502	3.8
105.07016	8.1
106.06580	0.9
107.04955	86.6
107.06047	22.5
107.08571	12.2
108.04515	9.0
108.05731	7.4
108.08111	5.5
109.06544	5.5
116.97194	0.8
118.03590	1.0
119.06096	1.6
124.03940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.7
51.02378	0.7
53.03950	4.4
53.19838	0.6
55.01868	1.0
55.05500	1.1
65.03944	11.8
66.04279	0.7
67.05511	7.6
70.99133	1.4
77.03947	0.6
79.05495	76.4
80.05029	3.8
80.05836	2.0
81.03407	0.7
91.05482	100.0
92.05798	1.8
92.06273	4.0
93.05795	1.4
95.04974	8.6
105.04518	1.5
105.07032	30.1
107.04961	27.6
107.05787	0.6
107.06100	1.5
107.06920	2.7
107.08595	38.7
108.04485	4.9
108.05212	0.8
108.05517	0.7
108.08124	6.0
108.08860	1.2
109.06518	16.7
119.06073	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	1.0
52.18456	0.6
53.03952	4.4
55.05515	0.9
56.96554	0.6
65.03944	14.0
67.05506	6.9
71.19898	1.3
77.03961	0.7
79.05497	79.4
80.05027	2.7
80.05830	1.9
91.05485	100.0
92.05755	3.1
92.06313	4.6
93.05797	1.0
95.04963	8.0
103.05454	0.9
103.07099	0.6
105.04595	1.2
105.07036	29.0
106.07390	0.6
106.78995	0.6
107.04956	21.2
107.08595	40.1
108.04498	3.4
108.05569	1.0
108.08109	2.2
108.08884	1.5
109.06522	16.5
110.06942	0.7
119.06057	5.6
124.05229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02378	0.8
53.03948	6.8
55.01863	1.6
56.96572	2.5
60.04527	0.6
64.08218	0.4
65.03942	0.6
66.03457	0.6
67.04263	3.1
67.05502	0.8
71.06925	0.5
71.57119	0.7
72.60522	0.4
74.06040	0.6
77.03928	0.8
79.05496	17.3
80.05017	7.2
80.05836	0.9
81.03397	1.0
81.04530	0.6
83.52369	1.3
84.01567	1.0
87.78268	0.5
91.05479	6.5
92.52806	0.6
93.02093	0.6
93.05787	0.4
95.04974	14.7
100.02477	1.1
105.04507	2.3
105.06991	2.4
106.06562	1.0
107.04960	100.0
107.05991	5.0
107.08588	2.8
108.03843	0.6
108.04475	3.3
108.05300	1.9
108.08129	6.8
109.06544	0.9
118.03529	1.1
121.03522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62455	0.4
50.71793	0.3
51.02367	1.2
53.03946	7.1
55.01847	0.4
57.04532	0.4
60.04507	1.2
65.03976	0.4
69.03156	0.4
71.10494	1.2
77.03925	2.1
79.05492	39.6
80.05817	0.8
81.03428	0.7
88.07635	0.5
95.04971	15.7
103.05468	29.9
104.05771	1.1
105.04549	3.1
105.07029	100.0
106.07337	2.5
112.94383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02380	1.3
53.03947	7.1
60.04530	0.6
62.45732	0.4
71.38977	0.7
74.59348	0.4
77.03919	1.1
79.05495	36.9
80.05840	0.7
80.55320	0.4
81.03437	0.7
87.37490	0.4
95.04976	13.3
103.05474	24.2
104.05798	1.0
105.04562	3.7
105.07034	100.0
106.07368	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	1063.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
78.38415	0.3
81.03402	0.7
81.05786	0.3
83.04990	0.3
85.02908	0.5
89.03883	0.3
91.05467	0.8
93.05782	0.3
93.07042	0.9
94.06554	1.0
95.04954	0.3
95.07327	0.6
96.08125	1.2
97.02907	0.4
97.06540	0.2
102.24074	0.3
105.06998	0.3
107.07330	0.4
107.08571	0.3
107.79028	0.2
108.04471	0.4
108.08110	2.3
109.02866	0.5
110.09033	0.3
110.09669	1.7
114.52216	0.3
117.03374	0.3
117.09818	0.2
119.08596	0.4
120.08096	2.2
122.06011	0.7
126.72885	0.2
127.03905	0.3
136.07561	1.8
137.05991	0.4
138.09140	4.2
145.02841	0.5
148.07561	0.8
150.09082	0.4
152.07042	0.5
160.03931	0.7
160.07513	0.3
164.07094	0.6
166.08638	2.9
172.04019	0.2
177.05453	0.8
184.07393	0.2
189.06931	0.3
190.07764	0.8
191.08557	3.4
202.07721	1.3
203.08533	0.8
204.06477	0.4
205.06522	0.8
211.08611	0.6
211.12292	0.4
213.10263	0.8
218.07317	0.7
219.08031	3.9
223.08601	0.9
225.10262	2.1
225.13892	0.3
226.11017	0.9
227.08150	0.3
227.11824	1.0
229.06332	0.4
231.08058	12.0
232.08258	0.5
233.05981	0.8
237.10246	1.2
238.10983	0.7
239.08055	1.0
239.11783	3.1
240.12497	0.7
245.06071	0.3
246.06949	0.4
247.07562	13.5
248.07816	0.4
249.10204	0.9
250.11044	0.5
251.08031	0.5
251.11768	2.4
252.08934	0.3
252.12543	0.8
253.09805	1.8
253.13426	2.4
254.10547	1.0
257.06003	1.0
259.07584	0.8
260.04758	0.3
263.11823	1.5
264.09058	0.5
264.12271	0.4
265.09744	1.0
265.13382	2.2
266.10532	1.0
267.11273	1.7
268.11761	0.3
269.12842	0.4
271.10825	0.3
273.05438	0.8
274.27359	0.8
275.07022	100.0
276.07367	3.6
278.10309	0.3
279.11246	2.2
280.12030	0.5
281.12888	2.6
283.10864	0.5
284.11450	0.6
285.12274	1.6
286.13138	0.4
291.11133	0.7
293.12692	1.2
295.14276	0.6
297.12405	1.1
298.13074	0.5
299.13916	1.2
307.10770	0.7
309.12335	2.7
310.12646	0.3
311.13754	1.3
313.15488	0.4
321.12170	0.5
323.13925	0.3
325.11920	0.6
327.13242	1.7
339.13516	0.6
341.14975	2.1
342.15591	0.3
353.14920	0.7
357.14499	0.5
369.14185	1.3
371.15918	1.0
372.16663	0.3
382.15347	0.4
400.16135	0.3
407.15710	0.3
411.15421	1.0
412.15555	0.6
413.17026	0.4
423.15134	0.3
425.17026	0.9
429.16650	0.7
430.17654	0.3
432.19061	0.4
435.15582	0.4
439.14282	0.4
441.16251	0.7
442.17432	0.3
443.17932	0.8
451.14563	0.3
453.16537	2.6
455.17789	0.6
465.16553	0.5
467.18115	0.3
471.17496	1.5
481.15451	0.7
483.17285	0.5
485.19208	0.4
495.17062	0.4
501.17908	0.3
513.18231	0.5
514.18951	0.5
515.20135	0.7
519.17358	0.3
522.22089	0.4
523.17676	0.3
541.17059	0.4
555.19409	0.5
574.21765	0.6
583.18292	1.0
586.21667	0.5
588.23785	1.6
592.22363	0.6
601.19336	0.4
604.22821	0.4
606.24731	2.1
615.21594	1.3
618.23773	0.7
624.25513	2.2
636.25507	1.4
699.21857	0.4
709.21289	0.5
717.23767	0.4
720.32220	0.3
721.27191	0.3
725.31964	0.5
727.22595	2.0
736.26660	1.0
741.23877	0.4
745.23993	3.1
746.24194	0.4
751.28729	0.3
753.31067	0.5
755.09479	0.3
757.23315	0.5
759.25226	0.4
776.26428	0.5
777.25952	1.0
780.70020	0.3
789.28192	0.3
796.28113	0.3
830.27496	1.5
844.27655	1.1
848.28363	1.9
862.29718	3.9
863.29462	0.5
866.28979	3.5
867.28772	0.3
878.29858	0.4
880.31024	3.8
881.30859	0.4
898.31989	7.0
899.31561	0.6
900.33673	0.3
908.29138	0.3
910.31549	2.1
941.32141	0.7
942.34027	0.8
1013.35608	0.6
1017.38336	0.8
1035.40161	1.6
1045.37756	0.7
1063.39294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03941	6.3
58.02606	1.2
59.07794	1.3
60.04516	1.4
60.95856	8.5
61.08488	1.5
64.95545	6.4
65.03945	2.0
69.25750	1.3
69.30572	8.4
69.31005	5.2
79.05494	31.0
83.01357	2.4
83.30415	1.6
90.02001	1.5
91.05486	2.9
95.04968	16.8
103.05470	19.7
105.03408	1.8
105.04515	9.0
105.07035	100.0
105.11069	8.3
106.06543	6.4
106.07361	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	1047.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	3.3
73.06561	1.7
75.03341	0.1
75.04482	3.0
79.05051	0.2
79.05489	3.4
81.03416	7.7
81.07056	6.1
83.01321	0.5
83.04980	6.3
83.08603	0.4
85.02901	100.0
86.03211	0.6
86.06056	0.5
87.04469	2.8
91.03951	1.7
91.05473	4.1
92.36676	0.1
93.07037	3.9
95.04973	2.1
95.08604	3.2
95.09219	0.2
97.02886	18.7
97.06531	3.0
97.10143	0.3
99.03823	0.2
99.04456	3.9
99.08073	0.5
101.02371	0.4
101.06008	0.5
101.60100	0.1
103.03938	1.1
103.05444	0.1
105.04509	0.2
105.07026	5.3
107.04955	0.9
107.08591	4.2
109.02116	0.2
109.02875	6.2
109.06516	10.2
109.10153	6.2
111.03687	0.3
111.04440	4.9
111.11716	0.3
112.04740	0.1
113.05970	0.4
115.03918	0.8
115.05450	0.6
115.07568	6.4
116.06219	0.2
117.05492	1.7
117.07005	1.9
119.04883	0.1
119.08572	3.6
121.06494	0.4
121.10136	5.7
122.10458	0.2
123.04417	0.4
123.08089	0.4
123.11698	1.4
125.02305	0.2
125.05968	0.5
125.09626	1.1
127.03915	15.8
127.07559	0.2
127.11166	1.0
128.06206	0.8
129.05476	25.8
129.06863	2.2
130.05765	0.2
130.07776	0.3
131.08565	4.5
133.10123	6.7
135.04410	0.2
135.08058	0.3
135.11687	1.8
137.05984	0.4
139.03903	0.3
141.06953	0.9
142.07780	2.6
143.03419	0.2
143.08566	3.7
144.09343	0.3
145.04956	15.8
145.10112	5.9
145.12138	0.3
147.06517	14.4
147.11682	9.7
148.12093	0.2
149.05977	0.3
149.09607	0.8
149.13240	2.1
151.03908	0.5
151.07520	0.4
151.11142	0.7
153.05458	0.2
155.08537	1.2
157.10120	17.3
158.10506	0.3
159.06516	0.3
159.11687	8.5
160.12080	0.2
161.09731	0.2
161.13257	2.3
163.06007	5.5
163.11143	0.8
163.14859	0.2
165.05682	0.2
165.07571	0.9
165.09079	0.3
165.12720	0.1
167.10669	8.7
168.06746	0.2
168.09338	0.2
169.04977	0.6
169.10120	1.1
169.12256	0.3
171.06552	0.7
171.11681	4.3
172.12015	0.2
173.13245	2.5
175.06003	0.4
175.11198	0.9
175.14812	0.5
177.05502	0.3
177.09265	0.2
177.12816	0.2
179.10684	0.3
181.04880	0.2
181.10162	0.3
181.12245	0.4
182.10924	0.4
183.06499	0.2
183.11700	1.7
184.12344	0.1
185.13254	1.8
186.13959	0.2
187.05981	0.2
187.13380	0.1
187.14780	0.8
188.09190	0.2
189.07600	0.3
193.08595	0.2
195.06544	0.3
195.11681	0.3
196.12468	0.2
197.11688	0.1
197.13258	3.1
199.06064	0.3
199.14758	1.0
201.16385	0.6
204.08617	0.2
205.07065	0.2
207.06491	0.2
209.11668	0.3
209.13307	0.3
210.13937	0.2
211.09824	0.2
211.14803	2.2
212.15506	0.3
213.07571	0.4
213.16379	0.9
215.10713	0.1
215.18010	0.3
217.07069	0.2
223.09709	0.2
223.14835	0.5
224.15533	0.6
225.07585	0.4
225.16377	1.4
227.18044	0.2
229.07153	0.4
229.19560	0.5
231.08517	0.7
237.07539	0.7
237.16589	0.1
238.17155	0.6
239.17834	0.2
243.08672	0.3
247.08124	0.2
251.12917	0.2
251.17908	1.2
253.19501	42.0
254.19879	1.3
255.08615	2.3
255.21083	3.5
257.90530	0.1
265.19547	0.4
269.13803	0.5
269.18988	0.6
271.20557	25.1
272.20901	0.7
273.09665	3.0
273.22159	0.1
277.19727	0.2
279.20950	0.2
281.22772	0.3
283.21027	0.2
283.24185	4.2
289.09177	0.2
291.10690	1.1
295.20557	0.2
301.25162	0.2
309.11810	3.7
313.21671	0.2
319.24258	0.2
325.11313	0.3
330.92493	0.1
361.29013	0.2
379.22403	0.2
379.29907	2.9
381.24182	0.3
397.31012	8.0
398.31125	0.3
399.25345	0.5
413.30597	0.3
415.32068	17.8
416.32376	0.6
417.26526	0.4
433.25870	4.5
434.26181	0.3
507.34341	0.3
523.34247	0.4
525.35583	0.2
541.35181	0.6
543.36627	0.2
559.36273	1.1
561.38232	0.3
573.33893	0.4
577.37347	10.4
578.37616	0.5
579.31598	14.1
580.31946	0.6
669.39893	0.2
687.40936	0.6
703.40247	0.8
705.42310	0.4
719.39746	0.3
721.41119	0.5
723.43109	51.6
724.31647	0.2
724.43488	2.4
732.72192	0.1
739.42584	0.6
801.43787	0.2
831.44550	0.4
849.46301	1.8
867.47437	0.3
885.48480	1.6
1047.51685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02916	3.4
73.06559	1.4
75.04479	2.2
79.05489	3.3
79.62791	0.1
81.03418	8.8
81.07055	5.0
83.01340	0.6
83.04980	5.4
83.08613	0.6
85.02903	100.0
85.06521	0.4
86.03225	0.5
86.06075	0.2
87.04465	3.0
91.03957	2.0
91.05470	3.7
93.07045	4.6
95.04967	2.1
95.08604	2.6
95.09171	0.3
97.02889	23.4
97.06520	3.0
98.84665	0.1
99.03826	0.3
99.04452	4.6
99.08096	0.3
101.02377	0.4
101.06023	0.7
103.03944	1.2
103.05394	0.3
105.06339	0.1
105.07021	4.6
107.04955	1.4
107.08593	3.9
109.02878	7.1
109.06516	18.6
109.10154	5.2
109.10915	0.2
110.03231	0.2
110.06824	0.2
111.04440	4.6
111.08080	0.2
111.11696	0.2
113.06001	0.3
115.03915	0.9
115.05428	0.4
115.07568	8.0
116.06283	0.2
117.05501	1.6
117.07009	1.7
119.08579	2.8
121.06496	0.6
121.10137	5.5
123.04454	0.4
123.08060	0.4
123.11710	0.9
125.05990	0.3
125.09611	0.8
127.03914	17.6
127.11176	0.6
128.04234	0.2
128.06197	0.7
129.05478	22.8
129.06863	1.9
130.05811	0.2
131.08565	4.5
133.04974	0.2
133.10129	5.1
135.04425	0.4
135.08044	0.3
135.11682	1.8
137.05974	0.8
137.09593	0.4
139.03874	0.3
139.11189	0.2
141.05473	0.2
141.07022	0.8
141.09053	0.2
142.07787	1.7
143.06924	0.2
143.07405	0.2
143.08562	3.3
144.09439	0.2
144.61545	0.1
145.04956	19.8
145.10123	4.9
145.12160	0.3
147.06522	12.2
147.11681	8.5
149.06027	0.2
149.09589	1.0
149.13254	1.9
151.03903	0.5
151.07547	0.4
151.11182	0.9
155.08560	1.2
156.09334	0.2
157.05020	0.2
157.10124	13.4
158.10497	0.2
159.06598	0.2
159.11688	7.6
160.12120	0.2
161.06041	0.2
161.09518	0.2
161.13252	2.0
163.06029	5.4
163.07384	0.3
163.11153	0.8
163.14833	0.2
165.07565	0.7
165.09109	0.4
167.10677	15.3
168.09373	0.2
168.11017	0.2
169.04942	0.5
169.10155	1.1
169.12206	0.3
171.06552	0.6
171.11682	3.6
173.04356	0.2
173.13239	2.4
175.06004	0.4
175.11198	0.7
175.14816	0.5
177.05487	0.5
177.09134	0.3
177.12833	0.2
179.10693	0.3
181.10138	0.3
181.12280	0.4
182.10962	0.2
183.11678	1.9
185.13258	1.8
187.06064	0.3
187.14795	0.7
189.07622	0.2
193.08586	0.3
195.11732	0.4
196.12460	0.2
197.11655	0.3
197.13258	2.5
198.14098	0.2
199.14798	0.9
201.16365	0.3
209.09988	0.2
209.11716	0.6
209.13402	0.3
211.14807	1.7
212.15579	0.3
213.07501	0.4
213.16405	0.9
221.11626	0.2
223.09631	0.3
223.14850	0.5
224.15590	0.6
225.07533	0.4
225.16420	1.1
227.09019	0.2
227.17964	0.2
229.07158	0.4
229.19536	0.6
231.08583	0.6
233.11931	0.2
235.13156	0.3
237.07584	0.9
238.17241	0.6
239.17908	0.2
241.10619	0.2
243.08672	0.3
251.12758	0.4
251.18011	1.0
253.19504	38.3
254.19890	0.9
255.08638	2.5
255.21097	2.7
265.19617	0.3
269.13852	0.8
269.18991	0.4
271.20560	24.4
272.20886	0.5
273.09671	2.8
281.22626	0.4
283.24210	3.3
287.14789	0.3
289.09290	0.2
291.10797	1.0
295.20837	0.2
309.11789	3.6
313.21576	0.2
325.11313	0.3
361.28708	0.3
366.10992	0.2
377.28580	0.2
379.22522	0.2
379.29968	2.7
381.24054	0.3
395.29346	0.6
397.31015	9.1
398.31342	0.4
399.25159	0.3
413.30591	0.5
415.32068	17.5
416.32281	0.5
433.25867	3.6
448.66043	0.2
505.32605	0.2
523.34241	0.4
525.35693	0.2
529.50006	0.2
541.35254	1.0
559.36200	1.4
573.33936	0.2
575.35767	0.2
577.37341	8.0
578.37518	0.2
579.31604	10.3
580.31879	0.3
669.39447	0.3
687.40796	0.5
703.40332	1.0
705.41638	0.5
719.40082	0.8
721.41162	0.6
723.43109	30.9
724.43524	1.6
739.42511	1.1
801.43677	0.3
831.44861	0.8
833.46582	0.2
849.30804	0.2
849.46161	2.6
850.45264	0.2
867.46686	0.6
885.31830	0.2
885.48193	2.9
1011.50256	0.3
1047.52881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02913	3.4
73.06552	1.7
74.09691	0.1
75.04473	2.9
77.03933	0.2
79.05489	3.5
81.03416	7.6
81.07053	5.8
83.01345	0.8
83.04981	5.9
83.05369	0.1
83.05499	0.1
83.08605	0.5
85.02900	100.0
85.06538	0.3
86.03236	0.8
86.06063	0.5
86.09706	0.1
87.04465	2.8
91.03959	1.8
91.05470	4.0
93.07042	4.3
95.04967	2.0
95.08599	2.9
95.09217	0.1
97.02887	19.1
97.06522	2.5
97.10158	0.3
98.03246	0.2
99.04452	4.5
99.08070	0.5
101.02364	0.5
101.06000	1.0
103.03931	0.8
103.05458	0.3
105.07024	5.9
107.04945	1.2
107.08587	4.6
108.08095	0.1
109.02872	6.5
109.06512	10.2
109.10147	6.0
109.10911	0.2
110.06857	0.1
111.04433	5.3
111.08099	0.2
111.11686	0.2
112.04684	0.1
113.02387	0.2
113.06011	0.3
115.03947	0.8
115.05371	0.5
115.07561	5.8
116.06223	0.2
117.05491	1.5
117.06989	1.8
119.08569	3.5
121.02903	0.1
121.06501	0.4
121.10138	6.4
122.10457	0.1
123.04420	0.4
123.08086	0.4
123.11710	1.3
125.02293	0.2
125.06000	0.3
125.09607	1.0
126.05560	0.2
127.03909	14.7
127.07545	0.2
127.11176	1.0
128.04268	0.2
128.06204	1.0
129.05472	25.2
129.06862	2.1
130.05789	0.2
130.07782	0.2
131.04836	0.1
131.08560	5.0
132.08939	0.1
133.05032	0.1
133.06474	0.1
133.10123	7.0
134.10457	0.1
135.04411	0.3
135.08037	0.2
135.11691	2.2
137.05965	0.4
137.09607	0.2
137.13260	0.1
139.03882	0.3
139.11217	0.1
141.05490	0.1
141.06979	1.0
141.09169	0.1
142.07773	2.5
143.08554	4.3
144.09325	0.3
145.04951	16.2
145.10115	6.2
145.12216	0.4
147.06512	13.0
147.11678	9.7
148.06877	0.1
148.12100	0.2
149.05968	0.2
149.09610	0.7
149.13246	2.1
151.03926	0.5
151.07530	0.3
151.11145	0.6
153.05460	0.3
155.08527	1.2
156.09340	0.3
157.10118	17.0
158.10571	0.3
159.06564	0.3
159.11682	8.7
160.12093	0.2
161.09636	0.3
161.13246	2.2
161.39676	0.1
163.06012	4.6
163.11189	0.6
163.14844	0.2
165.05571	0.2
165.07590	0.6
165.09146	0.5
167.10669	8.7
168.06519	0.1
168.09314	0.2
169.05016	0.6
169.10117	1.1
169.12268	0.3
171.06532	0.5
171.11681	4.3
172.12103	0.1
173.13249	2.8
174.13716	0.1
175.03795	0.1
175.06047	0.5
175.11203	0.8
175.14833	0.5
177.05440	0.2
177.12762	0.3
177.16336	0.1
179.05522	0.1
179.10667	0.3
181.04953	0.3
181.10199	0.3
181.12259	0.4
182.10921	0.3
183.11676	1.8
183.13179	0.1
184.12395	0.2
185.13242	1.8
185.14830	0.1
186.13910	0.1
187.06046	0.3
187.14821	0.6
188.09169	0.2
189.07646	0.2
189.16383	0.1
191.07028	0.1
193.08635	0.2
195.06583	0.3
195.11685	0.4
196.12445	0.2
197.11668	0.1
197.13258	3.4
198.13933	0.3
199.06078	0.3
199.14793	0.8
201.16362	0.6
205.07040	0.2
205.08748	0.1
207.06561	0.2
209.08183	0.1
209.11687	0.3
209.13383	0.4
211.06110	0.1
211.09630	0.2
211.14787	2.1
212.15541	0.3
213.07539	0.5
213.16362	0.8
215.17946	0.3
217.07062	0.2
221.11612	0.1
223.09625	0.1
223.14844	0.3
224.15567	0.8
225.07619	0.4
225.16354	1.3
227.17987	0.4
229.07082	0.5
229.19511	0.5
229.62727	0.1
231.08545	0.6
231.17549	0.1
237.07539	0.7
237.16435	0.1
238.17181	0.7
239.17969	0.3
241.19495	0.2
243.08694	0.4
247.08049	0.2
249.16301	0.1
251.12737	0.3
251.17949	1.6
253.19495	41.8
254.19849	1.4
255.08624	2.2
255.21053	3.6
263.17975	0.2
265.19507	0.3
269.13870	0.4
269.18890	0.4
271.20547	24.0
272.20837	0.7
273.09680	2.9
273.22241	0.2
274.10062	0.1
277.19571	0.1
281.22754	0.3
283.24200	3.6
284.24591	0.2
287.14880	0.1
291.10773	1.0
291.20990	0.1
295.20578	0.2
301.25269	0.2
309.11780	3.7
313.21637	0.2
325.11389	0.4
345.17261	0.1
361.29004	0.3
363.23499	0.2
379.29919	2.6
381.24094	0.1
395.29404	0.2
397.30997	8.1
398.31323	0.4
399.25235	0.5
411.28891	0.2
413.30643	0.2
415.32053	17.8
416.32541	0.8
417.26544	0.3
433.25864	4.1
457.32410	0.1
507.34946	0.2
523.34393	0.3
525.35754	0.2
541.35065	0.6
559.36292	0.9
561.37524	0.2
573.34216	0.1
575.35870	0.2
577.37323	10.1
578.37634	0.7
579.31616	12.2
580.31610	0.6
669.39630	0.1
687.40741	0.5
703.40387	0.6
705.41864	0.6
719.40179	0.3
721.41498	0.5
723.43085	46.1
724.43427	3.0
739.42291	0.6
801.43134	0.2
831.45288	0.2
849.46405	1.5
850.46161	0.1
867.47137	0.3
885.48450	1.2
944.37140	0.1
1047.53015	0.3
1078.25305	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
51.51989	0.2
51.75068	0.2
53.92711	0.2
56.51106	0.2
58.06600	2.9
59.07376	0.8
60.08164	33.1
66.78039	0.2
68.05041	0.3
69.03429	2.3
71.10392	0.3
84.23132	0.2
86.06076	2.0
87.04469	6.8
103.59634	0.2
104.10746	100.0
105.11092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.2
53.07592	0.2
56.05040	0.8
56.96561	0.5
57.03452	0.2
57.04558	0.2
57.13699	0.2
58.06600	6.0
59.07382	1.0
60.04527	0.6
60.08164	33.2
60.95850	0.8
61.08495	0.3
62.06107	0.3
68.05013	0.4
69.03428	2.5
69.50708	0.3
70.93149	0.6
72.04523	0.8
72.49874	0.2
74.06070	1.5
78.52971	0.2
81.03387	0.4
86.06064	4.6
86.09668	0.3
87.04469	7.1
90.01994	0.3
92.03466	0.3
92.04443	0.3
95.04940	0.3
96.05297	0.5
100.02466	1.4
101.35823	0.2
102.02246	0.4
104.05817	2.3
104.07132	1.1
104.10743	100.0
105.07038	0.4
105.11077	1.6
118.03509	1.0
119.01909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05501	1.5
80.05016	1.5
81.03418	3.5
83.04980	0.7
83.64031	0.7
85.02919	2.2
91.05488	3.2
92.33651	0.6
93.05759	0.8
93.07040	4.8
94.06568	8.5
95.04983	1.6
95.07352	5.1
95.08617	1.2
96.08129	7.5
97.02872	1.6
97.06542	0.7
103.05471	1.3
105.05764	0.8
106.06551	1.0
108.04494	2.8
108.08121	18.1
109.02886	1.9
110.09681	17.5
110.10388	1.3
120.08099	14.2
122.06028	8.2
122.09706	1.8
127.03957	2.7
132.04478	1.6
132.08083	0.8
134.06023	2.3
136.07570	9.6
138.09140	22.4
145.02802	0.7
146.06053	0.8
146.09654	1.2
147.06824	0.8
148.07562	7.2
150.05504	0.7
150.09157	3.9
152.07082	2.9
160.03934	10.4
160.07607	1.0
162.09181	0.9
164.07095	1.9
166.08647	19.9
172.03923	1.2
172.07547	0.8
174.05560	1.2
174.09190	1.3
178.05028	1.4
187.38347	0.7
190.05022	1.4
192.06641	1.5
197.10820	1.9
198.11519	0.8
199.08722	1.8
202.04710	0.8
204.06575	2.3
208.09642	0.9
209.10815	1.1
210.11522	1.3
211.08711	3.2
211.12341	3.0
212.09386	0.8
212.13046	0.8
213.06720	1.2
213.10190	4.8
215.46675	0.7
217.17294	0.7
221.10837	1.0
222.11429	1.4
223.08653	3.9
223.12363	2.9
224.09285	2.0
224.12964	1.1
225.10225	14.9
225.13937	1.9
226.10988	8.3
227.11768	8.5
232.09764	1.0
235.08658	1.8
235.12434	2.4
236.09564	2.6
237.10236	8.2
237.13831	3.4
238.10995	7.0
239.08247	8.7
239.11786	30.1
240.12480	5.1
241.09752	1.7
241.13354	3.1
246.11314	1.2
247.12109	0.7
248.09593	2.2
249.10237	6.7
250.10880	7.8
251.08200	4.4
251.11792	25.9
252.09004	1.7
252.12425	5.8
253.09798	10.3
253.13440	23.1
254.10568	12.7
254.13994	2.5
255.11285	2.4
255.15120	0.8
262.11011	1.1
263.11823	16.9
264.08932	1.1
264.12561	4.5
265.09845	9.5
265.13437	25.2
266.10574	7.5
266.14108	3.6
267.11295	18.9
267.14920	1.9
268.12015	2.6
269.12738	1.7
271.10806	3.6
275.11853	1.9
276.12869	0.9
277.09808	2.5
277.13382	2.7
278.10385	4.6
279.11285	15.7
279.14401	1.3
280.12088	3.1
281.09775	1.3
281.12842	36.0
282.13559	1.7
283.10880	7.7
283.14435	2.3
284.11569	2.0
285.12363	12.8
286.13089	3.5
287.14212	1.1
291.11374	5.9
292.12088	1.8
293.09470	1.4
293.12811	14.4
294.10251	0.9
294.13696	1.4
295.10889	1.9
295.14505	2.3
296.11591	2.6
297.12259	7.1
298.13000	3.5
299.13922	12.7
300.15128	1.0
305.12729	1.6
307.10852	3.4
309.12329	31.9
310.12878	4.3
311.10446	0.6
311.13876	16.5
312.14603	1.5
313.15427	2.5
316.14658	0.7
317.12717	1.0
319.10889	2.8
321.12308	6.4
323.10208	1.7
323.14041	2.9
324.11243	0.9
325.11938	3.1
325.15457	1.3
326.12695	1.4
327.13385	21.6
327.17105	1.2
328.14139	1.3
330.16119	0.9
333.12238	0.8
337.11768	3.3
337.15445	0.9
338.12518	1.6
339.13300	5.9
341.14969	26.7
342.15836	1.4
349.15881	0.8
351.13501	2.8
353.14911	7.5
354.15970	1.2
355.12973	1.3
356.14261	1.2
357.14590	4.2
358.15634	1.5
359.15988	1.8
360.17374	1.2
367.12726	1.2
369.14447	25.9
370.14993	2.1
371.16122	8.8
372.17078	1.9
374.19012	1.0
381.14639	3.0
383.16010	2.4
384.17133	1.1
385.17783	0.8
386.18973	1.5
391.16711	0.9
393.14575	1.9
395.16125	1.5
399.15494	6.6
400.16547	1.9
401.17105	5.5
402.18170	1.4
407.16068	2.7
411.15503	6.4
412.16235	1.2
413.17239	5.2
414.18198	3.1
416.19705	1.1
418.17410	0.8
420.19095	1.4
425.16989	5.7
429.16510	10.2
430.17715	2.8
431.18671	1.0
432.19333	2.6
433.19684	0.8
435.15546	8.1
437.17175	2.0
440.16043	1.5
441.16458	3.8
442.17532	2.3
443.18173	10.9
446.21249	1.6
447.15628	1.3
448.18723	1.3
452.16196	0.8
453.16574	22.1
454.17361	2.5
455.18237	8.6
460.18759	3.0
462.20297	1.7
465.16467	3.2
467.18152	3.2
469.16248	1.4
470.16776	1.4
471.17627	27.0
472.18491	2.2
473.19196	2.4
474.20428	5.0
479.18207	1.1
481.16135	5.6
482.16855	1.9
483.17804	6.2
485.19342	2.8
490.19717	2.3
492.20941	5.0
495.17453	1.0
497.18933	1.7
498.20151	0.8
502.19763	2.2
503.20297	4.8
506.22998	1.5
513.18610	17.3
514.19159	2.2
515.20270	28.5
516.21008	1.3
520.20862	1.1
522.22437	10.5
534.22443	11.2
535.22498	1.0
540.21375	1.3
556.21161	2.4
558.22406	1.5
562.22113	1.4
566.25287	1.0
568.20892	2.8
572.24115	1.5
574.21820	4.9
576.23492	2.8
577.24799	1.1
586.21631	5.3
588.23346	9.5
592.22876	6.8
594.24530	15.2
595.25055	2.6
600.23480	8.9
601.23920	1.0
604.22845	7.8
606.24438	14.2
607.25128	1.1
613.26086	2.0
618.24512	16.3
619.25116	1.2
624.25500	79.9
625.26044	5.5
627.28003	2.3
631.25098	2.3
632.26593	4.1
636.25519	100.0
637.25812	7.1
645.28937	1.3
664.25305	4.9
666.26917	1.1
667.27332	2.3
668.27850	3.4
675.27991	1.7
687.30225	9.3
688.30603	0.9
693.28912	2.7
703.27325	1.5
707.30756	17.0
721.28601	14.8
722.29071	0.9
725.31879	12.4
726.32434	1.2
735.17804	0.8
735.29480	4.6
739.29785	9.4
743.32721	3.0
750.28442	0.9
753.31299	54.1
754.31366	4.6
757.30829	9.8
761.34851	1.5
762.28741	1.6
771.32233	14.2
772.32434	1.5
789.33319	43.2
790.33606	3.4
798.30786	2.3
897.34625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02920	1.6
79.05489	4.8
80.05006	4.4
81.03415	7.6
81.05792	1.2
81.07044	1.9
82.06584	2.3
83.04952	2.1
85.02887	3.4
91.05488	7.6
91.88479	1.0
93.05786	1.6
93.07053	7.0
94.06011	1.4
94.06573	15.5
95.04965	4.7
95.06924	1.0
95.07361	9.1
95.08615	2.4
96.08131	18.9
96.36639	1.1
97.02887	3.1
97.06500	3.1
98.20813	2.0
103.05462	2.5
105.07013	2.0
106.06566	3.5
107.04961	2.3
108.04476	8.7
108.08115	35.5
109.02873	4.6
109.08936	1.3
110.09688	33.5
113.87535	1.4
115.05376	1.6
117.07105	1.4
118.06577	1.3
120.04439	1.9
120.08100	26.8
121.06496	1.4
121.10089	1.5
122.06032	11.5
122.09682	7.2
123.06848	1.8
124.07575	1.5
127.03907	4.5
128.80905	1.5
131.08575	2.8
132.04424	2.7
132.08090	3.2
134.05992	5.8
134.09596	1.4
135.04439	1.2
136.07579	20.9
137.05965	2.4
138.09138	47.9
138.10216	2.4
143.08588	1.4
144.08154	1.6
145.06464	1.3
146.06000	3.4
146.09639	1.8
148.07582	14.3
150.05537	2.5
150.09160	7.4
152.07051	4.1
160.03940	13.8
160.07594	2.5
162.09099	1.6
163.07550	1.8
164.07060	4.7
166.08643	36.4
169.10165	1.2
172.03931	2.6
173.38948	1.1
174.05511	2.9
174.09084	2.8
175.07585	1.2
176.10710	1.7
177.05492	4.2
178.04974	4.0
178.08609	2.2
180.06546	1.6
184.07547	1.5
186.09151	2.8
190.04964	2.1
192.06532	3.4
197.10876	1.4
198.09253	1.4
199.08656	4.1
202.04964	2.4
202.08626	3.3
204.06563	3.8
204.10112	1.6
208.09810	2.5
209.10686	2.2
210.11484	2.2
211.08644	9.6
211.12218	7.8
212.09367	3.7
212.12950	2.1
213.06638	2.3
213.10211	9.3
214.05086	1.1
214.08745	1.7
216.10257	3.6
220.09760	1.8
221.10794	2.4
222.11455	2.3
223.08580	5.7
223.12350	4.5
224.09373	4.2
224.12917	2.2
225.10217	26.8
225.13644	5.5
226.08797	1.9
226.10938	15.2
227.11798	16.7
228.10236	2.0
228.12364	1.4
229.13252	1.2
232.09770	3.3
234.11261	1.8
235.08672	4.2
235.12315	2.7
236.09418	4.5
236.12955	1.7
237.10204	19.1
237.13881	4.8
238.10948	13.9
239.08209	15.8
239.11775	56.3
239.15578	2.6
240.12517	13.0
241.09723	2.9
241.13316	8.4
244.09698	2.6
246.11252	3.2
247.12309	1.4
248.09506	2.0
249.10242	13.3
249.12839	1.3
249.13853	1.5
250.10933	14.9
251.08136	4.8
251.11792	47.6
252.08958	4.9
252.12479	9.8
253.09714	23.2
253.13364	46.7
253.16013	1.9
254.10451	18.6
254.13988	4.5
255.11148	3.2
260.09171	2.1
263.11819	27.8
264.09045	1.7
264.12595	6.6
265.09744	18.1
265.13351	43.2
266.10513	13.0
266.13974	6.5
267.11310	37.4
267.14828	5.5
268.09518	1.2
268.11975	6.0
268.15741	1.6
269.12860	4.6
271.10745	6.9
273.12698	1.2
274.10748	1.4
275.11728	3.0
277.09787	4.7
277.13403	4.3
278.10397	9.0
279.11270	32.9
279.14426	2.5
280.12094	6.6
281.12848	63.3
282.13449	3.8
283.10815	9.7
283.14398	5.9
284.11719	5.5
285.12332	26.0
286.13065	7.4
289.09680	1.4
291.11316	13.2
292.11957	4.4
293.09470	2.1
293.12784	24.2
294.13498	4.0
295.10782	4.8
295.14371	9.0
296.11539	4.0
297.12335	17.3
298.13089	6.9
299.10825	1.3
299.13986	22.8
300.14673	2.0
301.12799	1.3
303.11209	3.8
305.09375	1.9
305.12857	3.2
306.09988	2.4
307.10831	6.1
307.14084	1.6
309.12338	55.2
310.13013	6.4
311.13910	30.3
312.14465	3.1
313.15494	7.7
314.12946	1.7
319.10925	7.0
319.13977	1.7
320.11612	1.4
321.12311	13.8
323.10205	1.8
323.13882	8.2
325.11761	6.0
325.15433	2.7
326.12524	2.6
326.16122	2.0
327.13391	35.6
328.14108	3.3
329.15726	1.4
330.16019	2.5
335.13992	2.3
337.11807	6.8
337.15292	1.5
338.12494	3.3
339.13330	11.9
340.14154	2.6
341.14969	52.8
342.15543	3.9
344.13937	2.0
344.17609	1.4
347.13733	1.4
351.13324	6.3
352.13937	1.6
353.15027	15.1
354.15958	1.4
355.16583	1.9
356.13580	1.7
357.14560	8.1
358.15384	4.4
359.16183	6.2
360.16724	1.5
365.15039	2.3
367.16904	2.3
369.14474	31.8
369.19000	1.7
370.15109	4.2
371.16083	19.0
372.17029	4.4
373.18088	1.7
381.14520	5.0
382.15317	1.7
383.15839	5.0
385.17215	1.6
386.18594	3.9
387.15887	2.5
393.14337	3.2
395.15872	2.5
399.15387	4.9
400.16357	3.8
401.17239	6.5
402.18161	4.2
405.14288	2.4
407.16040	4.7
409.18008	2.0
411.15457	16.7
412.16116	2.8
413.17148	11.5
414.18155	7.5
415.18640	2.2
416.19717	4.8
417.14481	1.5
418.17291	1.6
419.16669	1.7
420.18994	2.2
421.17725	2.0
423.15536	3.1
425.17148	15.6
429.16592	14.8
430.17670	6.4
432.19153	6.6
434.20883	2.6
435.15567	13.7
436.16003	2.7
437.16922	6.6
439.14740	1.6
440.15540	2.4
441.16684	6.1
442.17221	5.0
443.18283	17.4
444.18686	2.2
447.15485	3.6
448.18610	3.3
451.14935	2.5
452.15991	2.2
453.16544	49.7
454.17050	4.1
455.18207	9.5
456.19101	1.6
459.17664	2.2
460.18567	5.0
462.20096	4.4
463.14682	3.8
465.16220	7.8
466.21368	1.4
467.17804	4.3
469.15836	2.4
471.11166	2.0
471.17639	32.7
472.18356	4.1
473.19412	6.4
474.20236	11.7
479.17996	1.6
480.20987	3.6
481.15762	2.5
482.16718	1.8
483.17380	8.5
484.18024	1.8
485.19247	11.5
490.19571	2.7
492.21353	15.0
495.17560	2.8
497.19022	6.5
498.20145	3.1
501.18558	1.6
502.19348	3.5
503.20273	5.2
504.21124	1.7
506.22778	3.9
512.21704	1.9
513.18701	11.8
514.19128	1.9
515.20264	17.7
516.20764	2.8
522.22217	12.1
528.20935	3.3
530.23096	1.7
534.22266	16.9
535.22534	1.5
540.21521	2.1
542.22638	3.2
546.21783	2.6
556.20782	7.7
558.22351	2.9
562.21771	3.6
568.20801	3.4
570.22198	1.7
572.24011	2.4
574.21582	11.7
576.23486	2.5
586.21881	14.3
588.23425	31.3
590.24445	2.9
592.22876	13.1
594.24335	41.7
595.24969	4.5
600.23389	25.5
601.23340	2.4
602.24414	2.1
603.25348	2.7
604.22809	12.6
606.24481	60.6
607.24353	2.6
613.26306	2.8
618.24457	51.8
619.24146	3.0
620.25854	1.8
622.24774	1.6
624.25519	89.8
625.25519	5.6
627.27838	4.9
630.24585	1.5
631.24750	5.6
632.25983	10.8
634.23364	1.9
636.25500	87.8
637.25598	3.4
643.27673	1.7
645.29059	2.4
649.26910	1.7
650.27185	4.9
654.26190	2.4
655.26831	1.8
664.25031	11.9
667.26843	2.7
668.27710	3.8
675.27570	3.7
677.29303	1.9
687.30237	6.6
693.29242	14.2
695.30780	2.0
703.27661	7.8
707.30731	35.1
708.30780	2.1
711.29858	5.1
721.16968	2.1
721.28674	36.2
722.28833	1.6
725.31830	84.5
726.32098	7.3
729.30328	1.8
735.30322	12.2
739.29553	19.7
740.29187	2.4
743.32867	29.8
744.32605	1.9
753.31311	100.0
754.31531	7.7
757.30664	13.0
758.31158	1.4
761.33484	7.6
763.29791	3.5
765.32251	3.0
771.32330	32.3
772.33130	1.8
789.33368	26.1
790.32892	2.3
842.34875	1.6
854.34442	4.4
868.36481	1.7
883.76941	1.3
886.37408	14.1
917.38074	2.6
989.40228	3.0
1021.43945	3.3
1039.47571	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	1033.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58987	3.5
77.01315	1.8
79.05483	5.8
80.05007	2.9
81.03426	7.5
81.07037	4.6
83.04974	4.6
85.02911	5.5
91.05467	9.9
93.05792	3.1
93.07057	12.8
94.06570	20.0
95.04975	5.7
95.07352	6.8
96.08128	24.3
97.02888	2.4
97.06539	1.9
99.04470	2.3
103.05470	4.0
105.05762	2.2
105.07037	4.3
106.06544	1.8
107.07384	2.4
107.08578	4.7
108.04490	6.2
108.08118	37.2
109.02888	7.3
109.06509	2.3
109.10197	4.1
110.09677	42.2
117.07010	2.1
119.04959	3.1
120.08097	28.2
121.10133	4.0
122.06010	16.5
122.09682	4.1
127.03930	5.7
129.05530	1.9
131.08568	5.2
132.04433	2.5
132.08066	2.0
133.10184	2.7
134.05959	3.6
136.07573	21.1
137.06012	3.9
137.07889	2.1
138.09129	51.5
139.09468	2.6
144.04373	2.2
144.08125	2.7
145.02896	3.1
145.10092	2.5
146.06062	3.4
147.04411	4.6
148.07578	15.8
150.05521	2.5
150.09119	4.7
152.07082	3.3
160.03960	17.7
160.07542	3.0
162.09160	2.4
164.07089	5.3
166.07350	4.0
166.08643	45.9
167.14328	2.7
172.03964	3.0
173.13257	2.9
174.05626	2.5
174.09163	2.7
177.05505	6.0
177.38499	2.3
178.05013	5.4
190.04941	2.6
191.14336	2.2
198.09244	2.3
199.08675	4.6
204.06619	4.7
208.09724	3.6
209.15378	2.5
210.11426	2.5
211.08722	6.0
211.12344	8.1
212.09367	2.2
213.10313	9.8
214.08687	2.0
215.33070	1.8
216.10152	2.6
220.09779	2.0
222.11414	3.1
223.08812	4.6
223.12207	3.1
224.09386	4.2
224.13075	2.7
225.10187	30.1
225.13783	4.1
226.11035	12.9
227.11705	17.4
235.08789	4.5
236.09369	4.1
237.10229	17.6
237.13922	5.6
238.10898	16.2
239.08150	15.2
239.11758	48.9
240.08925	3.3
240.12579	9.5
241.09717	2.3
241.13297	7.9
246.11156	2.1
248.09431	2.6
249.10239	8.2
250.10933	16.0
251.08157	8.1
251.11771	50.8
252.08876	3.2
252.12451	11.6
253.09750	25.4
253.13387	41.3
254.10506	17.3
254.13570	3.5
255.11238	4.6
263.11819	29.0
264.08929	3.0
264.12515	5.5
265.09775	15.5
265.13385	49.9
266.10501	13.9
266.14011	9.1
267.11288	37.1
267.14850	6.7
268.11847	5.7
269.12842	7.4
271.10822	7.2
275.07013	2.5
277.09900	2.7
277.13351	5.4
278.10464	6.5
279.11252	27.8
280.11890	8.1
281.12823	57.6
281.15805	3.4
282.13315	5.6
283.10831	11.1
283.14124	4.3
284.11469	3.0
285.12323	25.4
286.13000	7.9
291.11359	13.0
292.11856	4.3
293.09622	3.0
293.12799	27.1
294.13547	3.1
295.10901	6.0
295.14359	7.7
296.11578	3.2
297.12372	17.1
298.12930	6.7
299.13861	24.5
300.14719	2.3
307.10818	4.3
307.14212	2.3
308.11459	2.2
309.12311	58.6
310.12759	5.7
311.13855	33.5
312.14569	6.6
313.12021	4.0
313.15509	7.7
319.10733	3.1
321.12424	12.6
323.14020	5.7
325.11752	7.6
325.15439	3.1
327.13394	49.2
328.14114	3.9
330.15976	2.6
337.11850	6.3
338.12344	2.5
339.13409	10.7
341.14969	64.0
342.15417	6.4
351.13419	7.3
353.15088	17.9
355.16339	3.6
357.14636	4.4
358.15326	4.4
359.15976	5.3
369.14401	34.1
370.14999	2.8
371.16104	17.5
372.17172	3.0
374.18674	2.1
378.15665	1.9
379.12604	3.6
381.14471	6.0
382.15479	2.5
383.15976	4.9
386.18811	3.4
388.16455	2.3
391.16284	2.8
395.16223	3.5
396.17416	2.1
399.15585	3.7
400.16287	2.8
401.16913	7.3
402.17877	4.1
404.19705	2.2
407.16165	3.8
411.15485	19.3
412.16357	3.2
413.17108	14.7
414.18085	8.2
416.19687	4.0
423.15366	2.5
425.17264	11.8
426.17810	2.3
429.16672	18.7
430.17261	8.0
430.91748	2.2
432.19180	5.2
435.15503	15.7
437.17120	7.7
441.16708	7.3
442.17603	4.6
443.18231	17.8
444.18869	3.0
448.18674	2.1
453.16556	37.6
454.16986	5.2
455.17938	6.8
460.18262	2.3
462.20389	6.4
463.15302	2.1
465.16760	3.8
466.17484	2.6
467.18204	4.7
469.16251	3.7
471.17615	45.1
472.17981	6.3
473.19379	12.4
474.20392	13.6
480.21423	3.9
481.16055	4.4
483.17642	8.9
485.19415	7.8
492.21292	14.9
495.17606	3.4
497.19379	6.7
501.18390	3.9
503.20255	7.7
506.23087	5.9
513.18524	17.5
514.19183	3.2
515.20264	19.9
516.20764	3.6
522.22333	12.9
531.19592	8.2
533.21283	14.9
534.22394	19.3
556.21051	6.0
558.22260	2.7
562.21844	4.6
568.21094	3.0
570.21106	2.2
574.21356	4.5
578.25110	2.0
582.23029	2.3
586.21783	10.0
588.23364	20.2
589.23517	3.0
592.23010	10.1
593.23523	2.5
594.24445	76.5
595.24878	9.0
596.25562	3.3
600.23499	19.0
603.25372	3.1
604.22766	8.0
606.24377	34.0
608.26227	2.3
610.22632	2.6
613.26025	2.7
618.24426	39.3
619.24939	3.7
620.24036	2.3
622.24335	5.7
624.25482	100.0
624.35852	5.2
625.25433	7.5
626.25989	3.4
627.27698	4.9
631.25171	4.4
632.25220	7.1
636.25494	99.7
637.25574	7.2
638.26038	4.6
642.26904	4.6
645.28821	4.0
650.26794	4.7
652.25049	4.1
654.26587	28.5
664.24817	13.4
667.27753	4.2
668.27924	6.6
675.28094	3.0
677.29633	2.9
685.28113	2.6
687.30164	10.0
693.28839	7.3
703.27155	5.9
707.30487	21.9
711.30389	4.4
721.28632	24.1
722.28870	4.0
725.31805	87.2
726.31995	5.9
727.32562	3.4
729.30927	2.9
735.29736	11.6
739.29535	19.8
743.32660	34.3
744.32294	3.3
753.31287	72.4
754.30798	8.3
755.32111	2.7
757.30798	19.4
761.33990	21.0
771.32239	38.7
772.32434	3.2
775.31873	3.2
789.33173	47.0
790.33472	7.4
791.33252	3.7
805.32214	2.4
806.32880	4.7
807.34027	3.5
861.85388	2.5
1033.49341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59296	0.6
73.02915	2.3
73.06553	2.7
75.04105	0.4
75.04480	3.7
79.05496	4.3
81.03412	5.1
81.07052	6.0
83.04977	10.3
83.08620	0.6
85.02900	100.0
85.06547	0.5
86.03243	0.5
86.06087	0.7
87.04460	2.7
91.03962	0.7
91.05475	4.5
93.07040	4.2
94.06506	0.3
95.04977	2.8
95.08595	2.7
97.02884	7.9
97.06523	5.9
99.04446	3.5
99.08092	0.5
101.06010	1.3
103.03918	0.9
103.05497	0.4
105.07025	6.0
107.04964	1.6
107.08594	3.3
109.02879	3.4
109.06516	14.9
109.10136	5.5
111.04430	10.0
113.05984	0.8
115.05441	0.5
115.07568	9.7
117.03452	0.4
117.05495	1.3
117.07009	2.0
119.04950	0.4
119.08581	2.9
121.06494	1.1
121.10131	5.3
123.04483	0.7
123.08104	0.4
123.11713	1.2
125.09676	0.6
127.03911	7.5
127.11182	1.0
128.06236	0.8
129.05475	36.1
129.07027	2.1
131.08565	5.3
133.06555	0.3
133.10112	7.0
133.11072	0.5
135.04413	0.7
135.11687	1.8
137.05977	1.3
138.09108	0.6
141.06987	0.9
142.07741	2.8
143.08557	3.4
145.04968	4.0
145.10110	5.4
145.12245	0.5
147.04622	0.7
147.06514	15.8
147.11682	8.8
149.06030	0.6
149.09645	0.8
149.13266	2.2
151.03888	0.5
151.07561	0.4
151.11168	0.4
153.05446	2.5
155.08586	1.4
157.04997	0.5
157.10126	14.4
159.06480	0.7
159.11690	7.4
161.13278	1.9
163.03929	0.7
163.06024	4.0
163.11148	0.7
163.14870	0.4
165.05563	0.5
165.07591	0.7
165.09068	0.5
167.10680	11.0
169.05014	0.5
169.10132	0.9
171.06544	1.9
171.11705	2.9
173.11955	0.4
173.13229	2.1
175.06058	0.7
175.11235	0.4
175.14862	0.6
177.05522	1.4
179.07022	0.4
181.04971	0.6
181.12250	0.4
183.06461	0.3
183.11722	1.7
184.07394	1.1
185.13283	1.5
187.05946	0.4
187.14897	0.9
189.07649	0.5
193.08693	0.4
195.06494	0.4
197.13252	2.4
199.14828	0.9
201.07614	1.5
209.13371	0.6
211.14806	1.5
213.07574	1.3
213.16277	0.5
215.17809	0.4
223.14902	0.6
224.15665	0.6
225.07588	0.4
225.16385	1.0
229.19670	0.7
231.08556	0.9
237.07597	1.4
238.17143	0.5
239.09131	6.1
239.11392	0.6
251.17934	1.3
253.19504	40.0
254.19910	1.0
255.08655	3.1
255.21063	3.1
257.10190	4.1
265.19577	0.4
269.13870	0.5
269.18881	0.5
271.20554	27.6
272.20834	0.6
273.09692	2.8
275.11258	4.0
283.24191	3.4
291.10852	1.0
293.12302	8.5
309.11826	4.3
313.21625	0.5
327.15298	0.4
379.29898	2.3
395.29352	0.5
397.31070	7.2
399.25171	1.0
401.14514	0.5
408.09146	0.7
415.32065	18.4
417.26157	0.4
433.25790	0.8
457.33298	0.5
559.36462	0.8
577.37097	2.0
579.31293	1.6
723.42780	2.3
725.24420	0.5
725.37408	7.3
851.46936	0.4
867.47253	0.5
869.48810	28.7
870.48358	1.0
957.27197	0.4
995.50873	1.2
1031.36121	0.4
1031.54480	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.6
53.03947	16.4
55.01867	0.9
56.05033	5.3
56.96289	0.9
56.96561	11.0
57.03433	2.1
57.05374	6.6
58.02942	2.4
58.06593	7.6
58.96166	1.2
59.04995	0.7
59.06123	23.6
60.04521	6.9
60.08139	0.7
60.95842	1.3
61.04039	1.3
62.06085	11.8
62.17236	0.8
67.51052	1.0
68.05010	1.0
69.03422	1.2
70.82554	2.4
70.82898	0.8
72.04510	1.4
73.07683	4.1
74.06055	1.0
75.05589	3.5
76.51599	0.9
77.03930	3.1
79.01846	1.5
81.03413	2.2
85.02912	1.7
85.04832	1.2
85.07664	3.7
86.03230	1.0
86.06062	13.4
87.04446	2.8
88.02365	1.7
88.52531	1.2
95.04965	33.4
102.04691	3.6
103.04043	4.1
103.05464	100.0
103.08699	27.3
103.09396	1.1
104.05787	2.6
104.10742	4.1
105.04509	6.6
113.51730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
72.05316	0.4
73.02911	3.1
73.06554	3.7
74.58006	0.3
75.04483	4.5
77.20101	0.3
79.05492	3.5
81.03421	1.9
81.07059	6.4
83.04981	11.1
83.08560	0.4
84.04476	0.4
85.02906	100.0
86.03236	0.9
86.06084	0.8
87.04467	3.3
89.03939	0.3
91.05477	6.1
93.07041	4.9
95.04977	3.3
95.08604	2.6
97.02894	11.7
97.06536	8.2
98.60941	0.4
99.04450	3.0
99.08049	0.6
101.02378	1.3
101.06033	1.0
103.03957	1.2
103.05457	0.4
105.07034	6.0
107.04951	0.6
107.08601	4.7
108.08135	0.4
109.02868	1.9
109.06509	1.9
109.10155	8.2
110.09717	0.4
111.04446	11.8
113.02386	2.4
113.05997	0.8
115.03922	2.5
115.05442	0.8
115.07571	19.7
117.05534	1.6
117.07018	2.0
119.08564	3.6
121.06528	1.3
121.10143	5.9
123.04484	0.7
123.08118	0.4
123.11742	1.6
125.02341	0.6
125.06010	0.9
127.03913	5.0
127.11225	1.2
128.06248	1.3
129.05481	41.0
129.06874	3.2
130.05840	0.4
131.08574	5.3
133.10141	7.6
135.04437	0.4
135.08104	0.4
135.11707	1.8
136.07632	0.5
137.05998	1.4
138.09155	0.4
141.07010	1.1
142.07794	3.3
143.03433	0.8
143.08568	4.6
144.09285	0.4
145.02852	0.5
145.04930	2.4
145.10124	6.1
145.12251	0.7
147.04630	0.6
147.06526	17.6
147.11685	12.3
149.05971	0.7
149.13239	2.2
151.03912	0.8
151.11169	0.5
153.05450	1.9
155.08528	1.7
157.05019	0.6
157.10133	21.0
158.10475	0.5
159.06488	0.5
159.11696	7.6
161.04480	2.4
161.05637	0.4
161.13258	2.2
163.06018	3.9
163.11220	0.5
165.07645	0.5
165.09079	0.4
167.07045	0.5
167.10753	1.2
169.10086	1.7
171.06567	1.8
171.11702	4.6
173.13269	3.1
175.06165	0.5
175.11150	0.5
175.14912	0.5
177.05482	1.7
183.06456	0.6
183.11736	2.1
184.07404	0.3
185.08220	0.4
185.13246	1.8
187.14871	0.7
189.07607	0.9
193.08711	0.7
195.06551	1.0
197.13284	2.5
199.14915	0.8
201.07666	1.1
201.16422	0.4
204.54172	0.3
207.06546	0.4
209.13309	0.5
211.14795	1.9
213.07668	1.2
213.16408	0.6
221.08092	0.4
223.14938	0.4
224.15625	0.7
225.16434	0.9
231.08659	1.4
237.07671	0.9
238.17262	0.7
239.09151	6.2
243.08562	0.4
251.11711	0.4
251.18015	1.3
253.19518	50.8
254.19678	1.7
255.08745	2.3
255.21199	1.8
257.10220	5.9
265.09842	0.4
269.19141	0.5
271.20575	25.3
272.21112	0.7
273.09634	3.3
275.11246	4.9
275.14011	0.4
283.24203	2.3
291.10913	0.8
293.12347	7.9
293.15668	0.5
309.11841	3.8
313.21860	0.5
327.13876	0.3
379.30087	1.2
381.24573	0.5
397.30923	2.7
399.25513	0.6
401.14935	0.4
408.89920	0.4
415.32068	4.5
417.26346	0.6
433.25998	0.7
471.16989	0.4
510.21274	0.3
557.35089	0.7
575.35870	1.1
579.31683	0.7
672.86371	0.4
725.37549	6.4
816.13904	0.4
851.47180	0.6
869.48749	2.1
879.47711	1.0
975.79675	0.5
1029.52808	24.4
1030.53601	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	1029.47
Annotation	Unknow
Peak:m/z	Relative Intensity
77.42372	1.3
79.05502	5.9
80.05013	4.3
81.03418	10.0
81.05788	2.7
81.07055	3.1
82.06557	3.1
83.04974	2.7
85.02890	6.0
91.05473	12.9
93.05790	3.2
93.07041	15.2
94.06567	21.9
95.04962	7.2
95.07349	12.9
95.08609	7.8
96.08131	25.9
97.02882	4.4
97.06535	2.5
98.20731	3.9
103.05431	3.2
105.07023	9.1
106.06541	3.4
107.04949	1.7
107.07339	3.3
107.08582	4.9
108.04512	8.3
108.08116	43.6
108.08858	2.5
109.02865	6.1
110.09682	42.0
111.04428	2.1
117.07001	1.8
118.06491	2.2
119.08546	7.3
120.04448	1.9
120.08112	34.5
121.06514	3.2
121.08854	1.4
121.10155	3.1
122.06020	19.5
122.09669	8.1
123.06805	1.7
123.08060	2.1
124.07586	3.0
127.03905	5.6
128.06281	1.9
129.07019	2.8
131.08560	2.7
132.04462	3.3
133.10129	7.5
134.06010	5.8
134.09625	2.7
135.11681	4.8
136.07581	28.2
137.05930	1.7
137.09607	1.8
138.09137	75.1
144.08124	1.8
144.09283	1.9
146.05960	3.2
146.09616	2.6
147.11638	2.9
148.07564	16.8
150.05450	2.1
150.09122	9.2
152.07050	5.1
159.11688	4.9
160.03937	17.7
160.07582	3.3
160.08810	1.4
162.05492	2.6
163.11189	1.6
164.07085	6.0
165.09077	1.6
166.08641	46.9
170.09636	1.4
172.03979	5.7
172.07611	1.7
173.08418	1.4
174.05443	2.9
174.09135	5.2
174.88393	1.2
175.11195	4.8
176.07056	1.6
177.05487	3.1
177.12827	1.6
178.04976	2.8
180.06653	1.3
180.10184	1.3
184.07510	2.3
185.08482	1.2
188.10692	1.6
189.12759	2.1
190.04997	3.0
191.14137	1.2
192.06537	3.7
194.08286	1.5
196.07600	1.1
197.10818	2.9
198.09296	1.9
198.11584	2.5
199.08652	4.2
199.12346	1.4
201.13754	1.2
202.05032	1.7
202.08629	3.2
204.06560	7.0
204.10269	2.0
205.12224	7.6
208.09816	1.5
209.10851	2.4
210.11415	2.4
211.08746	6.7
211.12253	7.9
212.09415	3.3
212.13055	1.4
213.06644	3.1
213.10236	11.3
213.13924	1.5
214.08667	2.8
215.11774	1.7
216.10173	3.4
220.09843	1.5
222.11386	1.5
223.08646	9.7
223.12289	3.8
224.09387	4.0
224.13016	3.0
225.10228	37.1
225.13844	4.8
226.10925	18.0
227.08267	3.1
227.11748	16.9
229.13313	2.2
232.09656	3.4
235.08682	3.6
235.12305	2.7
236.09261	6.0
237.10202	21.0
237.13820	5.9
238.10971	16.8
239.08150	17.3
239.11781	62.7
240.08722	1.8
240.12497	15.6
241.09644	5.9
241.13350	8.3
242.10405	1.7
243.11226	4.6
244.09720	3.0
246.11275	3.5
248.09435	4.5
249.10246	14.6
249.13985	1.8
250.10924	15.6
251.08133	9.5
251.11794	54.3
252.08992	4.1
252.12466	12.7
253.07372	2.3
253.09737	25.2
253.13370	50.0
254.10493	17.7
254.14037	4.8
255.07915	1.6
255.11212	6.8
255.14890	1.4
256.12033	1.4
257.09219	2.0
260.09216	1.8
261.10226	1.6
262.11053	1.9
263.08777	1.7
263.11761	30.4
264.09018	4.8
264.12439	8.5
265.09766	20.3
265.13361	49.6
266.10489	17.9
266.14035	8.5
267.11298	40.3
267.14758	5.6
268.12064	6.6
269.09454	2.1
269.12872	7.0
271.10773	7.3
275.11731	2.8
276.12469	1.5
277.09741	7.3
277.13306	4.4
278.10446	11.5
279.11285	39.4
279.14484	1.8
280.12164	8.0
281.09714	2.8
281.12836	69.7
282.10126	2.1
282.13455	3.5
283.10767	13.8
283.14380	6.5
284.11517	5.4
285.12360	35.5
285.15631	2.0
286.13263	5.7
287.13971	2.2
289.13525	1.3
291.11276	16.9
292.11972	4.6
293.09460	2.1
293.12799	30.6
294.10175	1.5
294.13489	4.3
295.10828	8.9
295.14401	9.3
296.11472	3.9
297.12344	19.6
298.13129	7.2
299.13876	29.7
300.14636	2.8
303.14685	1.5
305.09375	2.3
305.12805	4.0
307.10800	8.6
307.14151	2.4
308.11517	2.0
309.12329	64.6
310.12985	7.4
311.10425	3.1
311.13870	34.4
312.14554	4.0
313.11914	5.3
313.15460	9.0
314.12866	2.2
316.14859	2.0
319.10718	7.5
319.14145	2.1
320.11453	2.5
321.12289	18.1
323.10214	3.5
323.13898	5.8
324.14737	2.0
325.11816	9.0
325.15530	3.0
326.12628	2.1
327.13391	43.8
328.14169	3.4
330.16019	1.6
333.12372	1.5
335.13815	2.5
337.11868	8.2
338.12625	3.0
339.13416	14.4
340.14218	2.3
341.14966	74.3
342.15613	3.9
343.13278	2.5
344.13889	2.4
344.22159	1.5
351.13422	11.5
352.14142	1.8
353.11090	1.9
353.15015	22.9
354.15796	2.1
355.12991	3.9
355.16519	3.7
356.13828	2.5
357.14569	8.1
358.15338	5.3
359.16333	6.7
360.17044	2.7
363.13260	1.4
365.15085	2.7
367.12836	1.5
367.16843	1.8
369.14465	44.0
370.15158	4.5
371.16113	18.0
372.17020	4.1
373.18027	2.3
374.14713	2.1
374.18799	2.6
379.13040	2.6
381.14166	5.9
383.16187	6.1
384.17047	1.7
385.13467	1.9
385.17850	1.6
386.18613	4.2
387.15878	3.6
388.16571	2.6
389.15561	1.4
393.14514	2.8
394.15332	1.8
395.16565	2.6
396.17294	1.9
397.13855	1.7
398.14578	1.8
399.15607	4.2
400.16254	5.3
401.17346	7.9
402.18124	3.3
404.19922	2.2
405.14450	2.5
407.16043	5.8
411.15540	24.7
412.16385	5.3
413.17215	17.4
414.18112	6.8
416.19791	6.4
417.15332	1.5
418.17609	2.7
420.19177	2.1
421.18002	1.6
423.15411	4.4
425.17236	14.7
429.16510	19.8
430.17545	7.0
431.18149	2.1
432.19165	6.6
433.13950	1.7
435.15405	16.1
436.15607	1.7
437.17242	6.5
438.17288	1.7
439.14984	4.4
441.16498	11.7
442.17404	5.4
443.18127	20.0
444.18991	3.8
447.15393	2.4
448.18686	4.4
451.14932	4.2
452.15924	2.2
453.16586	51.8
454.17514	2.3
455.18246	10.1
456.19254	1.8
459.17505	2.1
460.18167	6.4
461.19370	1.5
462.20377	8.0
463.14902	4.1
465.16718	7.7
466.17276	2.0
467.18182	6.4
469.16156	4.9
470.16852	1.9
471.17642	50.0
472.18369	3.4
473.19232	14.3
474.20160	16.4
479.18076	2.7
480.21332	6.2
481.15707	8.4
482.16370	1.6
483.17548	9.3
484.18271	2.6
485.19345	8.5
489.18488	1.5
490.19806	3.9
492.21408	15.1
494.22855	1.5
495.17499	3.5
497.19302	7.4
498.20108	3.2
499.17096	3.3
501.18851	6.1
502.19302	3.7
503.20135	6.9
504.21039	3.6
506.22610	4.1
512.21735	1.5
513.18512	15.5
514.19073	4.0
515.20288	17.8
517.18652	1.7
519.19659	1.4
522.22363	15.2
530.23004	2.1
531.19739	8.6
532.20343	2.1
533.21362	10.6
534.22302	21.6
535.21753	1.3
540.21411	1.7
542.23022	2.8
556.20441	6.1
558.22107	1.7
562.21503	8.7
564.22943	2.6
568.20721	4.9
570.21942	1.9
571.22534	2.0
572.23950	4.3
574.21814	10.5
576.22998	3.2
585.25092	1.5
586.21790	16.3
588.23444	28.8
589.23743	1.8
590.24866	2.9
592.22845	13.4
594.24481	67.8
595.25043	5.2
596.25903	1.5
598.22083	2.9
600.23413	24.5
602.24664	1.6
603.25732	3.1
604.22620	16.7
606.24463	53.1
607.24469	3.7
608.23975	2.0
610.23651	2.0
613.26556	3.8
616.22467	3.5
618.24530	44.3
619.24341	2.4
620.24683	2.5
621.27173	1.8
622.23676	8.6
624.25494	100.0
625.25317	3.3
627.28076	4.6
630.24414	2.9
631.25067	2.8
632.26172	7.5
634.24005	4.7
636.25500	94.8
637.25519	4.3
638.25494	2.3
640.24805	6.8
642.25958	4.5
645.29285	1.4
648.25861	1.9
650.27283	3.9
652.24756	4.1
654.26569	29.0
664.24921	11.1
666.26074	3.5
667.27643	3.7
668.27618	3.2
669.29413	2.5
675.28198	3.9
682.25934	1.7
684.27704	12.3
687.30420	8.5
693.29346	13.9
695.30823	2.8
703.27417	5.4
707.30792	24.0
711.29749	6.4
721.28650	29.3
723.29248	2.6
725.31769	81.0
726.31866	4.4
727.29712	2.5
729.31207	2.7
735.30048	9.6
737.28088	3.5
739.29913	21.0
741.30792	4.1
743.32831	30.3
751.29553	3.1
753.31268	70.8
754.31201	2.8
755.29852	3.4
757.30756	23.1
759.32507	6.4
761.33990	11.4
767.28796	2.3
769.30438	6.0
771.19617	2.3
771.32336	32.6
773.30219	2.7
775.31805	3.4
777.33374	3.7
785.29736	3.0
787.30933	3.6
788.32373	2.3
789.33405	38.4
790.32355	2.9
803.31030	7.2
805.32855	8.6
806.33276	3.2
807.32703	1.7
810.36353	2.1
821.32135	2.9
828.36914	1.8
844.35602	3.5
846.37616	3.4
858.37952	2.9
876.39221	3.5
979.43848	3.2
1011.45471	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	1022.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	0.7
71.04886	1.4
71.05242	0.4
72.91072	0.4
73.02808	3.7
77.03798	0.5
79.05382	18.0
79.05888	2.2
81.03303	15.8
81.03831	1.8
81.06944	19.8
81.07473	2.4
83.04865	3.0
83.08504	5.9
84.02567	0.5
85.02788	11.1
85.06436	0.8
91.03841	5.6
91.05357	21.8
91.05989	2.0
92.05704	0.5
93.06924	18.9
93.07582	1.5
95.04845	8.2
95.05490	0.6
95.08481	14.1
95.09147	1.4
97.02766	10.1
97.03432	0.8
97.06409	2.3
97.10055	1.7
97.10606	0.4
98.20709	0.8
99.04353	1.0
99.07993	0.6
101.02309	1.1
103.05334	1.3
105.04398	0.5
105.06898	12.6
105.07674	0.9
107.04821	3.4
107.08460	9.5
109.02792	0.7
109.06385	2.8
109.10153	7.0
111.04354	0.4
111.07957	2.4
113.05878	0.5
115.00574	0.4
115.03857	0.5
115.05312	1.5
116.06178	0.5
117.06882	4.1
119.04935	3.3
119.08573	8.9
121.06505	2.5
121.10147	11.0
121.10944	0.5
123.04433	4.9
123.07931	1.8
123.11553	1.6
125.09534	0.7
127.03777	1.9
128.06137	0.9
129.06981	4.5
131.04810	1.5
131.05702	0.5
131.08568	8.0
133.06496	3.7
133.10132	6.0
134.05890	0.6
135.04408	4.1
135.07944	1.0
135.11690	3.2
136.05318	0.5
136.06174	4.5
136.07204	0.6
137.05975	27.4
137.06934	1.1
137.09480	0.8
138.06210	0.7
139.36652	0.4
141.06908	1.2
142.07648	0.9
143.04811	0.9
143.08423	1.5
145.04796	0.8
145.06499	3.1
145.10123	2.2
147.04404	5.7
147.08035	3.5
147.11673	5.6
149.05989	5.8
149.09608	5.5
149.13213	2.0
151.07426	0.8
152.07013	0.6
154.08531	0.9
155.08426	0.9
157.06487	2.3
157.10133	4.2
159.08075	2.6
159.11592	1.2
161.05975	9.8
161.13089	1.3
163.06239	0.5
163.07535	4.3
163.11086	0.8
163.14801	0.7
164.07004	1.0
165.05377	0.9
165.06747	0.5
165.12720	0.9
167.08453	0.5
169.06346	0.6
171.08034	2.4
173.05991	6.2
173.09517	1.0
173.13100	1.1
175.07549	8.4
175.11165	4.1
177.09024	0.8
179.08366	0.5
183.07903	1.4
183.11642	0.6
185.05887	1.1
185.09454	1.2
187.07527	7.5
187.11052	0.7
189.05310	1.2
189.09084	3.0
190.08493	0.6
191.06877	0.9
191.10661	0.7
193.12231	8.4
195.07970	0.9
195.13582	1.1
197.09535	1.0
199.07533	2.9
199.11021	0.7
201.09071	3.4
202.08359	0.5
203.06982	0.9
205.08482	0.5
209.09485	0.7
211.07425	0.8
211.11470	0.5
211.13268	4.2
213.08948	1.6
213.12653	0.8
214.08456	0.6
223.11099	0.5
225.08990	0.7
225.12677	0.5
227.10547	1.3
237.08981	0.5
239.14136	0.5
255.13788	0.7
257.12689	0.5
257.15338	5.7
261.22189	0.6
267.13681	1.6
273.14865	0.7
283.16669	0.9
285.14786	5.2
297.14514	0.7
298.17712	0.5
299.16486	0.5
301.17789	0.6
302.17453	7.5
303.15894	3.8
311.16504	3.0
321.14502	0.5
328.18826	1.7
329.17480	8.9
333.16922	0.9
335.25757	9.4
336.25931	0.8
341.17422	1.5
344.18472	0.6
346.16122	0.5
346.20135	7.6
347.18732	1.1
358.20178	0.9
370.19949	0.7
374.19083	0.5
376.21231	2.2
385.19772	0.9
402.22745	1.4
420.23746	3.5
545.35999	0.5
654.43256	1.4
680.44971	2.7
681.43335	0.8
698.46240	85.7
699.46594	5.8
740.47601	1.8
764.48407	0.6
776.47125	1.8
788.47498	0.8
806.48932	1.9
816.48596	0.7
824.49365	10.5
825.49127	1.1
842.50421	9.4
842.64880	0.4
843.51056	0.7
860.51483	100.0
861.51709	10.3
902.52332	1.2
938.53339	0.8
968.53070	1.4
986.54724	2.6
1004.55621	4.4
1005.55798	0.6
1022.56787	86.7
1023.57147	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	1015.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	8.4
80.04997	4.5
81.03405	8.2
81.05799	2.7
81.07054	6.3
82.06575	3.0
83.04984	2.9
83.08595	2.1
85.02901	5.4
89.07386	1.7
91.05468	9.7
93.05787	2.9
93.07051	15.0
94.06568	17.5
95.04985	5.5
95.07364	10.5
95.08614	3.8
96.07616	2.4
96.08135	21.4
97.02894	3.4
97.06503	3.6
102.52183	1.7
103.05505	2.2
103.71076	1.9
105.07030	6.8
106.06574	4.1
107.08588	6.1
108.04470	6.5
108.08112	39.0
109.02881	5.8
109.06480	5.2
109.10149	3.0
110.06054	2.1
110.09679	35.2
111.08067	2.6
111.10008	2.2
118.06541	3.9
119.08599	5.1
120.04457	2.1
120.08106	32.6
121.06512	2.6
121.10112	3.2
122.06034	19.7
122.09647	6.9
123.08034	3.5
124.07563	1.9
127.03904	4.2
131.08574	4.0
132.04474	3.0
132.08110	3.1
133.10152	5.6
134.05989	6.5
135.08034	3.0
135.11575	1.8
136.07582	21.8
137.06013	2.7
137.46881	1.9
138.09143	52.2
139.07619	1.9
139.09482	3.8
145.02956	3.3
145.10078	2.6
146.06001	4.3
146.09619	1.9
147.04387	3.4
148.07597	14.3
149.06004	2.5
149.09619	3.7
150.09155	8.7
152.07062	5.6
153.09081	3.7
158.09633	2.8
160.03946	18.7
160.07529	3.7
162.05478	1.9
164.07080	3.8
166.08638	46.6
172.03912	5.5
173.13277	5.7
174.09186	4.4
177.05484	7.2
178.04913	4.7
178.08604	2.8
186.09169	4.3
189.12706	3.2
190.04941	2.4
191.05409	2.1
191.14319	5.5
192.06558	3.8
194.08109	2.3
197.10681	2.5
198.09241	3.5
199.08562	4.7
199.12248	2.4
200.07150	2.3
200.10846	2.5
201.10126	2.1
202.04964	2.2
204.06564	7.5
209.10597	1.6
209.15474	2.5
210.11409	3.0
211.08670	5.8
211.12276	8.7
212.13158	1.9
213.10286	9.5
214.08661	3.1
216.10211	4.7
218.11708	2.1
222.11348	2.5
223.08617	6.8
223.12193	4.4
224.09389	2.1
225.10231	41.0
225.13820	6.1
226.10892	19.0
227.08217	2.7
227.11809	21.7
228.12210	4.2
228.23820	1.9
234.11382	2.6
235.08690	5.5
235.12305	4.3
236.09378	3.8
236.13043	2.1
237.10220	20.2
237.13864	4.3
238.10957	15.0
239.08199	17.7
239.11777	58.3
240.12495	19.4
241.09840	4.6
241.13327	10.1
242.07951	2.0
244.09587	3.0
246.11349	3.9
248.09341	3.3
249.10205	16.3
250.10959	16.0
251.08220	10.0
251.11798	59.7
252.08899	3.5
252.12476	14.7
253.09721	24.2
253.13345	55.3
254.10439	22.8
254.13942	7.6
255.11220	4.5
255.14827	2.1
261.10120	3.3
262.10861	2.1
263.11804	31.5
264.09378	2.3
264.12436	14.5
265.09738	20.9
265.13345	51.6
266.10910	11.6
266.13705	12.2
267.11307	44.1
267.14749	6.5
268.11908	10.4
269.12946	8.9
271.10794	6.9
275.11819	3.5
277.09689	8.1
277.13303	4.1
278.10541	8.6
279.11255	37.0
280.12021	11.5
281.09717	4.1
281.12851	66.4
282.13345	6.1
283.10739	13.5
283.14313	5.3
284.11423	5.6
285.12360	28.7
286.12943	7.2
289.09872	3.2
289.13220	3.4
291.11246	12.8
292.11880	6.0
293.12823	26.6
294.13385	5.6
295.10706	9.9
295.14423	11.2
296.11578	5.3
297.12292	16.8
298.12943	7.6
299.13858	26.9
300.14340	2.9
305.09348	2.4
305.12793	4.1
307.10803	5.4
307.14276	2.1
309.12323	55.1
310.12790	8.1
311.13904	35.4
312.14313	7.5
313.15387	8.0
314.16049	2.4
316.14243	2.6
319.10718	7.9
321.12387	14.9
322.13071	2.6
323.13910	6.4
325.11823	7.0
325.15240	3.5
327.13412	43.1
328.14090	6.7
329.15125	2.4
330.16125	3.7
335.13852	2.9
337.11862	8.6
338.12573	3.3
339.13498	14.5
340.14108	4.5
341.14975	59.7
342.15515	4.3
344.13919	3.8
350.12714	2.1
351.13266	9.4
353.15051	18.0
356.13730	4.1
357.14688	12.1
358.15341	6.7
359.15842	5.4
360.17007	4.9
368.13647	2.9
369.14474	34.6
370.15063	7.6
371.16180	22.1
372.16833	5.9
379.12857	2.6
381.14441	5.7
383.15869	6.3
384.17218	3.6
386.18817	3.8
388.16013	2.8
390.18140	2.5
393.14374	3.9
395.15982	3.8
398.14560	3.6
399.15463	5.9
400.16205	7.4
401.16940	7.2
402.18097	5.1
407.16016	3.6
409.17471	3.5
411.15616	16.7
412.16348	4.3
413.17191	11.6
414.17963	9.4
415.18475	4.2
416.19531	6.0
418.17337	4.3
419.16379	2.1
420.19373	3.2
423.15491	4.2
425.17078	13.2
429.16571	16.9
430.17361	5.1
431.17993	3.7
432.19077	4.4
435.15640	16.0
437.17072	8.6
440.15710	2.9
441.16043	9.0
442.17557	3.8
443.18228	19.7
444.18845	3.7
446.20953	4.0
447.16022	3.9
453.16544	42.4
454.16849	5.5
455.18182	13.6
458.17050	3.0
460.18546	7.2
462.20273	3.8
465.16473	6.5
467.18219	5.5
471.17593	45.0
472.18234	7.0
473.19186	10.4
474.20166	14.0
479.18060	2.6
480.21313	5.5
481.16019	6.5
482.16641	4.1
483.17880	9.7
485.19464	9.7
488.22046	2.8
492.21393	14.3
494.22223	3.3
495.17493	2.9
497.18893	6.2
498.20465	2.8
501.18222	4.6
502.19583	4.2
503.20120	7.7
504.21112	2.5
506.22922	4.9
513.18353	13.0
514.19135	4.4
515.20300	25.1
516.20697	3.0
522.22284	8.4
533.20929	3.1
534.22369	16.1
535.22516	4.0
542.23120	2.5
544.24243	2.4
548.24518	3.5
556.21021	5.9
558.21643	3.1
562.21729	5.5
564.23138	2.2
568.19843	4.4
572.23596	2.9
574.21942	8.6
576.23004	4.5
586.21637	11.4
588.23444	25.3
588.32281	3.4
590.24255	3.4
592.23267	12.5
594.24420	64.3
595.24475	7.9
596.24750	5.3
600.23444	22.4
601.23871	3.3
603.25299	2.8
604.22760	13.0
606.24445	41.3
607.24695	3.1
608.25159	3.0
609.26575	3.1
613.26990	2.6
618.24390	38.9
619.24457	4.4
620.24310	5.8
622.23871	5.4
624.25488	75.2
625.25702	9.6
626.25757	5.7
627.27765	6.8
631.24872	5.4
632.26038	10.3
634.23859	3.6
636.25507	93.1
637.25830	9.7
638.25897	10.7
650.26880	3.8
654.26453	7.6
655.26471	3.1
664.25165	12.0
667.26978	3.7
668.27527	6.8
669.29291	2.8
675.27612	2.8
677.29474	2.9
679.31439	2.3
687.29773	6.2
693.29102	11.1
703.27032	4.6
707.30865	31.2
708.30316	4.5
709.30951	3.7
711.29761	7.9
721.28650	31.0
722.28870	2.9
723.29626	4.4
725.31726	88.8
726.31384	7.1
727.32672	9.2
729.30756	4.2
735.30463	10.7
739.29938	20.8
743.32617	29.5
745.32404	2.9
753.31299	100.0
754.31274	7.4
755.31934	10.3
755.42590	2.4
756.29059	7.6
757.30243	27.5
761.34406	9.1
762.33014	2.1
771.19501	3.0
771.32373	45.7
772.32275	3.6
773.32037	5.9
774.29919	4.0
775.30438	5.8
788.31464	3.1
789.33453	39.6
790.33545	3.6
791.33331	3.8
800.36914	4.4
807.33234	4.4
812.36292	3.1
818.38080	5.1
830.38031	6.7
844.38806	6.4
862.41168	10.5
965.44153	5.1
983.45209	2.7
997.47974	2.7
1015.47430	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	1015.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85825	8.0
71.05002	3.5
79.05485	10.2
80.05060	3.3
81.03410	9.7
81.07050	12.4
82.06582	3.3
85.02900	6.7
86.09721	3.5
91.05500	15.4
93.07036	18.1
94.06570	21.2
95.04972	8.7
95.07355	12.1
95.08592	3.6
96.08140	26.3
97.02898	6.7
97.06532	3.5
105.07038	6.1
107.08567	8.0
108.04487	11.4
108.08121	42.9
108.08854	3.4
109.02892	6.8
109.06523	7.5
109.10143	3.3
110.09679	42.7
117.07035	5.8
119.04974	3.1
119.08540	3.1
120.08120	34.4
120.08932	5.1
121.06531	4.3
121.10120	4.3
122.06007	20.5
122.09668	7.8
123.08086	4.8
124.07591	3.8
127.03931	6.9
131.08569	4.2
133.10152	4.9
134.06047	5.6
135.08067	3.9
136.07584	29.6
137.05959	6.0
138.08131	4.5
138.09146	61.5
143.08554	3.9
145.02869	6.8
145.10036	2.8
146.05959	7.1
147.04359	3.2
148.07567	19.9
150.09142	8.0
152.07054	6.5
160.03937	17.8
160.07590	5.6
163.03859	2.7
164.07103	5.9
166.08653	54.7
167.09000	5.8
172.03999	3.9
172.07680	3.2
173.13235	10.1
174.05464	3.1
174.09131	3.1
177.05510	8.9
180.41972	3.1
190.05072	3.7
191.14308	5.3
199.12045	2.9
204.06509	4.7
209.15422	6.1
211.08653	4.1
211.12314	6.9
212.09366	4.9
212.12814	2.9
213.10246	10.9
216.10187	3.7
223.08684	6.5
223.12196	5.8
224.09399	4.8
225.10201	38.1
225.13664	4.0
226.10846	15.5
227.11786	16.7
228.12218	3.9
228.23410	2.6
235.08575	4.7
235.12177	4.2
236.09438	4.9
236.12946	4.1
237.10260	19.2
237.13889	5.0
238.10956	18.7
239.08211	17.2
239.11795	59.0
240.12473	21.8
241.09665	4.6
241.13177	7.4
244.09706	3.2
246.11357	4.2
247.12396	3.9
249.10286	14.0
250.10999	14.3
251.08160	9.4
251.11804	58.5
252.08980	4.1
252.12384	17.7
253.09827	16.9
253.13348	48.2
254.10419	23.1
254.13846	11.8
255.11136	7.6
260.09006	3.5
261.10208	3.8
263.11777	32.3
264.09229	3.6
264.12390	15.3
265.09796	22.2
265.13351	47.8
266.10425	18.3
266.13846	10.9
267.11285	38.1
267.14301	4.7
268.11804	11.8
269.12878	6.0
271.10596	6.5
277.09879	5.0
277.13379	5.0
278.10483	9.1
278.13730	3.3
279.11249	38.2
279.14075	5.1
280.11899	11.3
281.12872	69.6
282.10220	3.6
282.13278	12.9
283.10791	15.5
283.13553	5.4
284.11392	5.8
285.12460	25.2
286.12912	9.4
291.11349	11.9
292.11926	11.0
293.12830	24.5
294.13403	7.6
295.10712	8.3
295.14291	10.8
296.11493	6.9
297.12399	22.7
298.12906	11.7
299.13937	30.0
300.14548	5.6
307.10742	9.1
307.14362	3.7
308.11508	6.2
309.12354	46.2
310.12772	14.3
311.13846	38.0
312.14392	6.1
313.15375	11.0
319.10800	4.6
320.11276	6.9
321.12341	12.4
323.13910	6.6
324.11081	3.7
325.11816	5.2
326.12674	4.9
327.13367	39.7
328.13956	7.1
337.11823	9.1
338.12338	5.0
339.13342	15.5
341.15018	62.2
342.15317	10.0
343.15851	3.4
351.13382	7.3
352.13974	4.0
353.14932	20.7
354.15305	5.1
357.14474	7.6
358.15234	5.7
359.16000	8.8
369.14487	41.3
370.15033	6.8
371.15970	21.4
372.16763	9.8
381.14191	4.7
382.15134	3.3
383.16290	7.5
387.15695	4.2
399.15408	4.5
400.16507	5.5
401.17053	5.8
402.18005	5.9
407.15891	6.7
411.15390	24.1
412.16031	5.4
413.17191	20.2
414.17737	8.0
416.19476	6.0
425.17020	8.9
429.16608	16.8
430.17462	6.6
431.17960	3.6
432.19064	6.0
435.15494	17.5
436.16064	3.2
437.16846	6.9
441.16650	5.7
442.17236	5.8
443.18234	17.1
444.18622	5.5
446.21005	4.2
453.16531	36.0
454.16617	7.9
455.17822	11.7
460.18710	6.5
462.20358	7.3
463.14740	3.6
465.16315	5.8
467.18277	4.7
471.17810	43.6
472.17902	9.6
473.18991	16.9
474.19943	12.5
475.20190	5.4
480.21292	7.5
481.15628	4.9
483.17328	8.7
484.18326	4.9
485.18970	6.3
486.20026	3.2
492.21472	18.8
497.19229	5.3
498.19913	5.7
502.19611	3.7
503.20120	10.9
504.98584	3.3
506.22647	7.0
513.18713	19.3
514.18970	4.0
515.20294	21.7
516.20557	6.6
522.22455	15.6
528.21313	3.9
531.19354	7.3
533.20917	6.1
534.22241	23.8
535.21832	3.8
556.20959	6.9
561.24896	6.2
562.21924	5.4
568.21265	5.3
572.22711	3.9
574.22015	5.1
576.22638	4.7
586.21667	10.8
587.22040	4.1
588.23322	29.4
589.23401	4.0
590.23834	3.2
592.22870	10.1
594.24438	70.1
595.24689	17.0
596.24945	12.5
600.23700	23.1
601.23816	4.5
602.23877	4.9
604.22943	10.2
606.24420	38.2
607.24597	9.4
608.25177	5.7
613.25989	3.1
618.24341	47.4
619.24487	10.3
620.25024	10.6
622.24585	5.0
624.25470	79.0
625.26038	18.4
626.25867	11.5
627.27509	6.6
631.25317	6.2
632.25555	14.0
633.25745	4.2
636.25525	100.0
637.25781	19.9
638.26190	16.6
654.26538	19.9
655.27063	6.3
656.27130	6.2
664.25256	14.2
665.25714	4.0
666.26263	5.5
667.26996	9.2
668.27545	11.1
675.28339	4.5
687.29828	10.2
693.29706	15.1
695.31104	3.3
703.27667	5.1
707.30621	32.8
708.31091	6.7
709.30957	5.9
711.29663	5.4
721.28577	30.3
722.29089	3.8
723.28259	4.3
725.31921	90.2
726.32587	16.0
727.32074	15.0
735.30145	10.0
739.30188	19.8
743.32770	33.9
744.32843	5.8
745.33209	5.8
753.31244	86.2
754.31390	11.2
755.31464	11.2
757.30719	16.6
759.30707	4.6
761.34106	13.9
762.34070	5.5
771.32458	42.5
772.32440	4.3
773.33240	5.9
789.33344	41.5
790.33984	4.9
791.33069	6.7
1015.46472	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	1015.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58868	1.8
73.69156	1.4
79.05500	6.4
80.05007	3.5
81.03427	6.9
81.05820	1.5
81.07053	6.4
85.02901	4.3
86.09717	1.6
86.23560	1.6
91.05490	7.5
93.05835	2.4
93.07033	9.9
94.06561	13.5
95.04973	5.4
95.07337	7.7
95.08624	1.6
96.08129	18.9
97.02895	2.7
97.06550	4.2
97.10159	1.4
99.04490	1.6
103.05475	5.5
105.07030	3.6
106.06582	1.7
107.04965	2.7
107.08598	3.6
108.04493	4.2
108.08115	30.5
109.02904	5.5
109.06510	7.9
109.36076	1.4
110.08986	3.0
110.09692	33.9
110.10465	1.7
117.03363	1.8
119.04903	1.7
119.08572	2.1
120.04452	1.8
120.08104	21.7
121.10172	4.5
122.06028	10.4
122.09661	3.7
123.08041	1.6
123.11679	2.0
124.07587	5.9
127.03907	3.0
131.08574	2.6
133.10167	3.2
134.06036	3.9
135.08038	2.5
136.07590	19.4
136.30701	1.4
137.05971	4.7
138.09138	47.7
145.02921	3.0
145.10040	1.7
146.06020	5.0
146.09615	1.9
147.04433	3.7
148.07568	14.2
149.13191	1.5
150.05605	2.1
150.09158	6.3
152.07104	4.3
153.09073	3.1
155.71382	1.7
158.09639	2.0
160.03951	6.9
160.07620	3.4
162.05473	1.7
164.07098	2.4
166.08650	51.9
172.03946	6.6
174.05556	2.8
174.09146	1.8
177.05481	4.9
178.05042	2.9
184.07474	3.5
190.05089	3.7
191.14345	4.1
200.06978	1.7
204.06560	13.0
209.15448	3.8
211.08687	4.9
211.12326	6.2
212.09320	2.1
213.10170	9.6
216.10123	2.1
223.08690	7.7
223.12312	4.7
224.09392	3.3
225.10255	33.7
225.13905	4.2
226.10847	10.4
227.11809	17.5
229.13245	1.6
232.09683	1.7
235.08627	2.9
235.12311	3.0
236.09396	3.2
237.10216	20.7
237.13951	4.4
238.10901	11.3
239.08150	5.5
239.11809	43.8
240.12540	9.4
241.09717	1.7
241.13257	5.6
246.11127	2.7
249.10214	8.8
250.10968	9.1
251.08185	9.9
251.11790	35.9
252.08698	2.3
252.12422	9.0
253.09747	27.4
253.13390	22.7
254.10548	8.7
254.13994	3.5
255.11362	4.1
255.14758	1.9
257.09222	2.4
262.10925	2.4
263.11835	14.8
264.09021	3.3
264.12527	6.4
265.09766	39.7
265.13367	29.1
265.15988	2.6
266.10535	13.0
266.14075	6.3
267.11340	24.2
267.14587	2.6
268.12045	4.0
269.09351	2.4
269.12827	5.6
270.10092	2.3
271.10785	7.0
273.12524	3.5
275.11847	2.0
277.09753	5.1
277.13187	2.7
278.10574	7.2
279.11267	29.6
280.12097	5.7
281.12872	29.0
282.13516	2.5
283.10800	15.8
283.14459	4.6
284.11542	4.6
285.12335	71.0
286.13126	10.2
287.13980	4.7
291.11322	11.0
292.12100	4.8
293.12790	20.8
294.13586	3.0
295.10815	5.4
295.14456	5.0
296.11530	2.1
297.12402	21.8
298.13177	11.7
299.13895	26.6
300.14761	1.8
303.11447	2.4
305.12799	2.0
307.10806	6.5
308.11566	2.2
309.12332	21.0
310.12979	5.1
311.13919	18.1
312.14691	2.2
313.15701	7.2
317.12598	2.4
319.10764	5.1
321.12448	8.7
323.10431	2.0
323.13998	5.0
325.11847	7.1
325.15430	2.5
326.12491	1.8
327.13406	20.1
337.11871	5.1
338.12634	3.8
339.13391	11.1
341.14981	15.9
342.15558	2.4
351.13364	3.1
353.15131	8.1
355.12778	2.2
357.14609	5.9
358.15372	3.4
359.15976	6.7
360.16959	2.6
369.14377	13.7
370.15002	2.1
371.15982	6.6
372.17166	4.4
373.18091	1.8
376.16568	2.0
378.18594	1.7
379.16855	2.1
381.14459	5.8
383.16278	1.9
384.16818	2.2
386.18866	2.2
395.16162	5.5
396.16803	1.9
399.15570	4.5
400.16425	3.1
401.17117	2.5
402.18207	2.7
404.19702	4.7
405.14224	1.9
407.16040	4.9
411.15552	6.9
413.16751	4.3
416.19653	2.2
418.17075	7.5
423.15543	3.7
425.17230	9.7
427.18927	3.1
429.16919	9.0
430.17511	2.3
431.18582	1.8
432.19070	3.7
435.15402	5.4
437.17334	3.9
441.16531	4.1
442.17276	3.2
443.18314	12.0
446.20486	4.1
448.18900	2.2
450.20346	3.4
451.15140	3.8
451.21115	3.7
452.15701	3.2
453.16635	24.0
454.16788	2.1
455.18158	5.3
456.18683	2.3
462.20139	2.4
464.21707	2.2
465.16318	3.6
466.22885	2.0
469.16144	6.1
470.16809	4.3
471.17639	18.8
472.18124	3.4
473.19104	3.4
474.19971	8.1
481.16702	3.2
483.17630	9.3
484.18350	10.1
485.19165	13.8
491.20215	1.8
492.21176	8.5
501.18491	2.2
503.20038	6.0
506.22760	5.5
513.18597	3.4
515.20166	5.0
522.22345	3.4
523.23346	3.7
524.23901	2.2
534.22443	4.8
548.23590	4.2
565.23737	1.9
566.24683	2.9
572.23962	2.5
573.24469	2.1
574.21698	7.7
576.23615	3.4
586.21454	3.5
588.23553	8.8
591.25214	3.5
592.22772	7.0
594.24658	11.1
595.25293	4.6
599.23077	3.2
600.23273	19.5
604.22937	4.8
606.24481	41.7
613.26691	3.3
616.22662	2.7
617.23181	7.3
618.24390	19.0
622.23285	3.5
624.25458	18.4
625.25476	2.4
627.28052	5.2
631.25348	24.3
632.25812	20.9
633.26172	1.9
634.23523	6.3
635.24725	20.1
636.25458	44.8
637.25854	2.9
645.28778	4.2
649.26257	24.1
650.27008	14.0
653.25641	3.0
654.26300	3.0
655.27350	2.8
664.24152	2.0
666.26355	6.2
667.27350	100.0
668.28082	55.8
669.28101	3.0
685.28619	10.1
686.28680	2.4
687.30127	4.9
693.29315	4.1
695.30511	5.3
707.30188	4.9
711.29926	3.4
713.31592	2.9
721.28491	18.6
725.31934	18.0
735.30328	3.3
739.29303	17.5
743.32977	3.5
753.17877	2.2
753.31244	42.1
754.30872	2.2
757.30835	34.2
758.31189	1.8
761.33130	3.3
771.32312	20.1
789.33325	53.3
790.34045	3.4
861.39240	2.7
893.42383	5.2
1015.44659	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	1013.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10612	1.0
70.64848	1.8
70.65231	2.1
70.65431	1.0
73.53531	1.1
79.05477	6.7
80.04996	2.8
81.03408	5.9
81.05784	1.5
81.07034	3.7
82.06567	2.6
83.04974	1.9
83.08568	1.2
85.02895	4.2
85.06538	1.6
91.05472	10.1
93.05774	2.0
93.07034	13.9
94.06561	21.1
95.04968	6.2
95.07354	14.4
95.07961	1.3
95.08069	1.0
95.08600	9.9
96.04499	1.1
96.08134	23.4
97.02898	1.9
97.06509	3.5
103.05458	3.1
105.07021	5.1
106.06535	3.9
107.04973	2.4
107.08595	3.6
108.04469	7.6
108.08115	45.5
109.02866	3.4
109.06528	2.5
109.08904	1.3
109.10136	3.0
110.09673	41.8
116.04971	1.2
117.07008	1.4
118.06523	2.9
119.08567	5.4
120.04444	4.2
120.08099	36.8
121.06475	3.1
121.10159	2.8
122.06020	21.4
122.09669	7.0
123.08083	5.4
124.07569	4.3
127.03918	4.3
131.08601	1.7
132.04425	3.1
132.08051	1.3
133.10110	5.1
134.06010	6.1
134.09679	1.7
135.08041	3.4
136.07578	27.9
137.05888	1.3
138.09132	62.7
142.94337	1.1
144.04430	1.6
144.08078	1.9
145.08827	1.5
146.06009	5.8
146.09660	1.2
148.07564	18.3
149.09619	2.1
150.05441	1.3
150.09154	8.6
151.07526	2.5
152.07065	6.6
158.09653	1.6
160.03934	20.0
160.07556	5.0
161.13242	2.1
162.05579	2.6
162.09151	1.4
164.07118	6.1
166.08636	45.3
170.09630	1.8
172.03918	12.8
172.07518	2.3
173.13258	2.1
174.05461	4.2
174.09099	3.8
174.10426	3.8
176.07048	1.4
177.05382	2.2
178.04985	2.6
180.06506	1.6
180.10155	2.1
182.09726	1.6
186.09206	2.3
187.08632	1.5
188.07033	1.9
189.12682	10.7
190.04971	8.3
191.14265	1.9
192.06569	2.7
192.10155	1.3
194.08163	2.6
196.07545	1.6
197.10748	4.5
198.09177	2.3
198.11382	1.6
199.08649	3.7
199.12396	1.7
200.07053	1.7
200.10776	2.3
201.06395	1.2
201.10252	1.3
202.04942	2.3
202.08537	1.6
204.06544	13.7
207.13776	1.3
208.09731	2.0
209.10701	3.2
209.15367	2.5
210.11462	2.4
211.08633	11.0
211.12225	8.1
212.09402	4.1
213.06673	3.0
213.10214	9.3
214.08684	1.8
216.10251	4.0
218.11780	2.2
221.10747	2.2
223.08705	10.9
223.12219	7.3
224.09317	4.2
224.12990	2.5
225.06659	1.6
225.10193	39.1
225.13811	5.0
226.08778	1.8
226.10910	18.4
227.11766	31.0
227.13936	2.3
229.13411	2.1
232.09593	2.8
234.11389	1.5
235.08627	4.9
235.12262	4.0
236.09351	6.2
236.12947	1.3
237.10207	19.0
237.13797	5.9
238.10950	17.4
239.08202	14.1
239.11775	62.0
240.12529	15.0
241.09654	5.1
241.13351	7.6
244.09741	2.4
246.11320	3.3
247.12381	1.8
248.09444	2.6
249.10194	15.3
250.10999	15.8
251.08191	7.4
251.11778	55.3
252.08992	5.9
252.12531	12.8
253.09695	29.3
253.13333	49.5
254.10460	21.9
254.13956	5.0
255.11284	5.2
260.09192	2.0
261.10382	1.4
263.08704	1.4
263.11786	33.9
264.09027	3.8
264.12509	8.2
265.09714	26.0
265.13327	56.6
266.10471	14.8
266.13989	8.1
267.11285	47.6
267.14749	5.3
268.12085	5.9
269.09302	2.2
269.12793	10.8
271.10788	9.6
271.13641	1.8
274.10654	1.3
275.11746	3.3
276.12714	2.6
277.09680	7.2
277.13284	3.1
278.10452	11.9
279.11273	37.7
279.14337	1.6
280.12137	7.8
281.12827	73.4
282.09940	1.7
282.13412	4.1
283.10764	15.5
283.14383	6.3
284.11426	4.1
285.12308	34.2
286.13098	7.8
289.13309	3.5
291.11224	13.9
292.12006	6.0
293.09540	2.4
293.12811	32.7
294.13504	5.5
295.10724	8.5
295.14359	11.7
296.11520	4.0
297.12369	21.5
297.15735	2.3
298.13052	8.7
299.13895	28.8
300.14771	2.2
305.09271	2.4
305.12793	2.8
307.10840	7.2
307.14008	1.7
309.12314	64.8
310.13031	5.4
311.10251	2.1
311.13846	35.8
312.14478	4.3
313.15643	8.7
315.13812	1.5
316.14420	2.5
317.12778	2.4
319.10849	7.4
319.14197	2.2
320.11652	1.7
321.12308	17.0
323.13818	3.3
324.14603	1.7
325.11862	9.9
325.15265	1.9
326.12640	2.6
327.13391	43.3
328.14261	2.4
329.11502	1.5
329.15005	3.4
330.12549	1.6
330.16003	3.7
333.12344	2.3
335.13846	2.4
336.14651	1.4
337.11740	7.4
337.15546	1.5
338.12631	3.9
339.13376	18.3
340.14114	3.7
341.14951	69.0
342.12131	2.9
342.15805	4.1
343.13171	3.5
343.16949	2.5
344.13809	5.4
344.17609	1.9
347.13510	1.9
349.11465	1.3
349.15393	2.0
351.13300	7.1
352.14127	2.4
353.14984	16.7
354.15723	3.4
355.12857	2.4
355.16592	3.5
356.13849	4.4
356.17865	2.0
357.14563	10.9
358.15448	8.5
359.16217	7.6
360.16846	2.5
365.15128	2.4
367.12964	3.2
368.13660	2.4
369.14438	41.6
370.15564	7.3
371.16098	21.5
372.17053	6.7
374.14917	2.8
377.14832	2.1
379.12613	2.5
380.13745	1.7
381.14603	5.3
382.11591	1.6
383.16351	6.7
384.12875	1.9
384.17123	2.8
385.17844	1.6
386.14755	2.7
386.18631	4.0
387.15720	2.2
388.16461	3.2
389.14703	1.8
393.14520	4.2
395.15930	4.9
397.13672	1.6
398.14749	10.8
398.19199	1.5
399.15649	12.3
400.16287	5.0
401.17487	7.3
402.18094	3.1
403.12833	2.2
405.14716	1.7
407.15982	4.7
409.17847	2.4
411.15506	19.7
412.16275	4.0
413.17114	18.1
414.18024	6.2
415.18765	1.9
416.20096	6.2
418.17514	2.1
420.18890	3.2
421.17764	1.6
423.15225	3.8
425.17099	13.5
429.16571	20.7
430.17303	6.1
431.18216	7.1
432.19168	7.4
433.13892	2.0
434.21024	2.2
435.15521	13.8
437.17352	6.2
439.15121	4.0
440.15787	3.6
441.16455	9.3
442.17355	4.7
443.18137	21.2
444.19165	2.9
446.21249	3.0
447.15732	2.5
448.18390	2.3
449.18692	1.5
451.14987	1.6
453.16510	43.0
454.16956	2.2
455.18225	8.9
456.18793	2.6
457.16309	1.4
458.16534	3.0
459.17868	2.4
460.18542	4.3
462.20084	3.7
463.14923	2.3
465.16568	9.0
466.17017	1.7
467.17990	5.7
469.16025	2.3
471.17603	43.0
471.24265	2.1
472.18204	3.1
473.19055	11.4
474.20255	11.7
479.18085	2.0
480.21014	4.9
481.15793	6.3
482.16708	3.4
483.17563	11.0
484.18384	1.9
485.19397	7.2
490.19504	2.8
492.21527	14.8
494.22519	1.5
495.17395	3.2
497.19299	6.9
498.20300	1.5
499.16959	2.8
500.17639	2.0
501.18362	3.2
502.19431	3.0
503.20084	7.3
504.20959	1.6
506.22845	6.2
507.23911	1.6
513.18707	12.9
514.19836	3.0
515.20142	20.9
516.20978	2.0
522.22278	11.9
528.20947	2.2
530.22766	1.9
531.19299	5.2
532.20404	1.7
533.21344	8.2
534.22278	20.3
540.21210	2.2
544.23804	1.4
546.21783	1.9
556.20923	7.2
558.22052	2.7
560.21564	2.1
562.21820	4.9
564.23419	2.4
568.20770	4.6
570.21521	1.3
572.22992	1.5
574.21960	9.1
576.23114	5.1
582.23877	3.8
584.19879	2.5
586.21747	10.0
588.23401	23.7
590.22864	2.7
592.22876	12.6
594.24451	62.3
595.24976	5.7
600.23450	21.5
602.20898	9.1
603.25513	2.5
604.22656	14.0
606.24390	47.3
607.24890	2.4
608.22162	2.3
610.23535	5.0
613.26239	2.0
618.24463	44.2
620.22205	4.4
622.23877	5.7
624.25470	82.4
625.25635	3.1
627.28271	6.4
631.24768	2.6
632.25842	8.1
634.23486	3.6
635.24280	1.7
636.25476	100.0
637.25720	2.1
638.28143	1.7
642.26074	2.3
643.27362	1.9
645.28497	1.9
650.26886	3.9
652.24969	4.1
653.25281	2.6
654.26471	23.4
655.27289	1.7
664.24933	14.4
666.26532	1.6
667.27417	3.2
668.27954	5.8
669.28516	2.0
675.27911	2.7
677.29633	3.5
685.27917	1.7
687.30194	8.7
693.29034	12.5
695.29120	1.8
703.27283	5.7
707.30750	26.9
708.30701	2.6
711.29919	6.1
719.27142	3.6
721.28577	29.4
725.31726	87.9
726.31836	2.9
727.29425	3.0
729.31049	5.6
735.30231	11.3
737.28650	7.0
739.29639	19.0
743.32727	35.0
753.31226	81.6
754.31329	3.1
755.29089	35.1
757.30713	18.6
761.33752	15.3
762.34192	1.6
771.32288	34.0
772.31238	1.8
773.30267	16.9
775.32465	2.5
780.33862	1.6
787.32019	11.6
789.33350	37.9
790.32666	1.9
794.36670	1.5
798.35962	8.7
805.32642	8.2
810.36023	9.0
812.37433	2.6
824.37262	1.5
828.36121	3.2
830.38190	8.2
842.38818	14.5
860.39502	6.0
945.41772	3.0
963.42603	3.5
981.43909	3.4
995.45544	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	1013.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25718	4.4
71.96783	1.0
79.05482	3.5
80.05005	2.3
81.03415	4.6
81.07037	1.2
82.06567	1.2
85.02906	3.1
85.06516	1.5
91.05483	6.8
93.03489	0.9
93.05805	1.8
93.07050	9.1
94.06573	12.4
95.04964	3.6
95.07358	7.5
95.08607	8.5
96.04515	1.1
96.08130	16.9
97.02895	2.5
97.06577	1.1
98.20787	1.1
103.05475	1.8
105.07028	3.5
107.04939	1.9
107.07336	2.4
107.08598	2.1
108.03787	0.8
108.04469	5.9
108.08120	29.6
108.75399	1.0
109.02859	3.1
109.06528	1.0
109.10187	1.1
110.09680	27.1
118.06540	1.4
119.08581	4.1
120.04479	0.9
120.08112	20.6
120.58026	0.8
120.67479	0.9
121.06485	1.8
121.08941	0.9
121.10135	1.9
122.06034	14.2
122.09654	4.0
123.06828	1.5
123.08050	3.6
124.07574	1.4
127.03912	2.6
130.06546	0.9
131.08600	1.8
132.04431	1.8
132.08115	1.4
133.10130	3.2
134.06015	4.7
136.07587	18.9
137.06010	0.9
137.09525	1.0
138.09138	38.9
138.10219	2.0
143.08549	1.2
144.08051	1.9
145.02855	1.1
146.06020	2.7
146.09648	2.1
147.04366	1.1
147.08040	1.6
147.11699	2.7
148.07587	10.1
149.09622	2.6
150.09161	6.1
151.07559	1.5
152.07065	5.5
158.09622	1.0
160.03947	11.3
160.07579	1.6
161.13251	1.8
162.05489	1.4
162.09109	0.9
164.07072	3.4
166.08646	34.4
167.07098	1.1
171.11755	1.1
172.03931	3.4
174.05522	2.6
174.09097	1.6
174.10420	5.3
177.05455	1.9
178.04985	1.7
180.10242	1.8
186.09129	2.0
188.10762	1.4
189.12743	12.6
190.05037	1.4
192.06520	2.7
192.10231	1.7
194.08076	1.5
197.10696	2.1
199.08681	2.4
202.08569	1.4
204.06534	3.7
206.08067	1.3
211.08641	5.8
211.12306	3.9
212.09241	2.4
212.11092	1.4
212.13016	1.3
213.10223	6.9
214.08783	1.1
216.10199	2.5
218.11818	1.2
221.10725	1.7
223.08673	6.1
223.12302	4.5
224.09352	2.3
224.12965	2.0
225.10214	25.0
225.13893	2.8
226.08803	2.0
226.10916	11.7
226.14458	1.5
227.08311	1.3
227.11771	13.0
229.13368	1.1
235.08667	3.4
235.12358	1.7
236.09242	4.5
237.10168	13.6
237.13792	5.1
238.10965	10.6
239.08162	11.8
239.11786	38.5
240.12523	8.5
241.09740	1.9
241.13298	4.5
243.11201	1.0
244.09581	1.4
246.11363	2.8
248.09331	1.7
249.10263	10.1
250.10980	12.3
251.08243	6.0
251.11800	39.6
252.06508	2.0
252.08955	2.9
252.12535	9.7
253.09740	15.4
253.13373	35.0
254.10492	13.7
254.14000	3.2
255.11249	3.0
257.09149	1.0
260.09201	1.4
263.07846	1.0
263.08878	1.6
263.11795	24.2
263.14468	1.9
264.08807	1.1
264.09732	1.0
264.12610	5.9
265.09756	14.0
265.13348	39.1
266.10489	13.5
266.14063	5.6
267.11301	27.6
267.14835	4.2
268.12021	3.5
269.12808	4.7
271.10861	3.7
271.14230	1.1
275.11761	1.7
276.12708	1.1
277.09680	4.2
277.13336	5.2
278.10425	6.9
279.11279	27.6
279.14383	2.3
280.12027	7.1
281.12845	47.3
282.10379	1.2
282.13431	2.5
283.10809	9.8
283.14417	3.5
284.11517	3.1
285.09454	1.6
285.12335	21.6
286.13138	5.6
289.13165	1.7
291.11340	12.1
292.11996	2.7
293.09372	2.1
293.12802	23.4
294.13733	2.4
295.10748	4.7
295.14407	6.6
296.11588	5.0
297.12329	16.6
298.13147	5.6
299.13940	17.2
300.14813	1.1
301.13025	1.4
303.11185	2.2
305.09219	1.4
305.12656	1.1
307.10767	4.3
307.14178	1.4
309.12329	39.7
310.12970	5.3
311.10278	1.8
311.13895	30.7
312.14459	3.2
313.12177	1.7
313.15439	7.6
316.14465	1.6
317.12814	2.0
319.10760	5.2
319.14368	2.2
320.11526	1.8
321.12335	11.3
323.10349	1.4
323.13922	2.6
325.11887	4.8
325.15305	1.6
326.12805	1.5
326.21136	1.4
327.13388	31.2
328.14236	2.7
330.16052	1.4
332.17426	1.3
337.11887	5.5
338.12546	3.6
339.13431	11.3
340.14279	2.3
341.14984	54.2
342.12015	1.2
342.15820	2.9
343.13046	2.3
344.14081	2.1
344.17825	2.2
351.13663	4.5
352.14243	1.4
353.14984	15.8
355.16724	2.3
356.13803	1.4
357.14734	5.9
358.15378	3.5
359.16257	5.4
360.16916	1.5
365.11353	1.5
368.13644	1.2
369.14429	23.7
369.18976	1.3
370.15277	3.5
371.16183	15.4
372.16913	3.1
373.17850	1.1
374.18872	2.2
375.13293	1.6
377.15048	1.4
379.12872	1.7
381.14365	2.7
383.15900	3.1
384.16949	2.4
385.18195	1.2
386.18723	1.6
387.15802	1.9
393.14474	2.1
395.16046	2.4
397.14035	1.2
398.14667	2.4
399.15509	3.7
400.16339	3.2
401.17093	4.3
402.18256	2.3
403.12991	3.5
405.14578	1.6
407.16043	2.9
409.17572	1.5
411.15439	11.4
412.16406	2.9
413.17203	8.2
414.18228	5.3
416.19778	2.7
418.17368	1.9
420.19217	2.6
423.15491	3.0
425.17062	6.6
428.19659	1.5
429.16620	14.3
430.17163	4.4
432.19391	5.4
433.19839	1.8
435.15576	7.8
437.17166	5.8
439.14911	2.2
440.15561	1.4
441.16553	7.2
442.17786	4.6
443.18127	16.6
444.19135	2.1
446.20767	2.1
447.15564	1.5
448.18616	2.9
449.17712	1.2
450.19879	1.0
453.16611	18.7
455.18304	7.6
459.17377	1.3
460.18558	3.5
462.20175	6.9
463.14905	2.3
465.16483	4.6
467.18130	3.1
469.16025	1.5
470.16797	1.7
471.17639	40.7
472.18149	2.4
473.19254	7.7
474.20145	9.4
475.19846	1.1
479.18347	1.6
480.21460	7.7
481.15765	4.4
482.16498	1.6
483.17770	6.0
485.19144	4.2
488.22247	1.3
490.19717	2.5
492.21469	15.6
494.22238	1.6
495.17755	1.9
497.18890	6.6
498.19943	2.0
499.16928	2.2
501.18796	2.5
502.19687	1.4
503.20126	8.7
506.23114	5.3
513.18597	17.6
514.18604	1.9
515.20251	18.7
516.20813	2.6
522.22388	6.4
530.22906	1.2
531.19318	4.6
533.21326	4.3
534.22223	8.8
542.22058	1.3
552.23486	1.2
556.20966	2.3
558.22192	2.0
562.21295	1.7
564.23291	1.3
568.20837	1.8
570.22198	1.4
572.24200	1.2
574.22058	3.1
576.23145	3.1
582.23822	1.4
585.24542	1.8
586.21600	6.4
588.23456	16.7
592.22577	7.6
594.24506	47.5
595.25116	5.4
600.23401	12.3
602.23297	1.2
603.25262	2.2
604.22809	11.2
606.24426	19.7
613.26068	2.6
618.24463	31.4
619.23987	1.6
622.24371	3.1
624.25507	66.8
625.25757	3.1
627.28094	10.3
632.26074	4.9
635.24548	1.1
636.25537	100.0
637.26331	4.4
645.29010	3.9
650.26752	1.6
654.26672	17.4
664.25140	10.5
667.27454	3.2
668.28088	5.5
669.28967	1.7
675.28131	2.2
677.29901	3.0
685.28027	1.4
687.30603	5.4
693.28741	3.5
703.27203	4.2
707.30762	29.6
711.29907	2.9
721.28705	11.1
725.31787	66.4
726.31543	2.6
729.31610	1.7
735.30408	7.9
739.29730	7.6
743.32831	21.6
753.31335	35.8
754.31085	2.5
757.30841	9.6
761.33826	9.2
771.32233	20.9
775.30151	1.6
776.34900	2.3
789.33441	28.6
790.33331	4.1
794.36359	2.7
798.35339	2.3
806.34393	1.4
810.35248	3.8
812.36792	5.8
818.46423	1.2
824.36505	1.6
828.35767	1.5
830.38104	4.1
842.38251	9.7
860.39081	4.6
945.42590	1.6
963.44635	2.4
967.44849	1.9
977.44659	1.8
995.46063	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	1013.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58573	2.8
79.05490	9.7
79.40475	1.4
80.05003	2.6
81.03436	9.0
81.05788	2.6
81.07058	3.8
82.06575	4.6
83.04990	2.3
84.96037	1.6
85.02897	6.2
85.06543	3.5
85.28108	1.5
91.05496	12.1
93.07045	15.4
94.06567	20.4
95.04964	8.4
95.07343	13.5
95.08607	14.9
96.08139	27.6
97.02885	5.2
97.06527	3.5
103.05466	3.8
105.07014	7.8
106.06532	5.7
107.04945	2.3
107.08589	3.5
108.04472	7.3
108.07410	3.2
108.08121	50.4
109.02905	8.1
109.06516	2.6
109.08932	2.0
109.10160	4.1
110.09682	51.6
111.04405	1.8
117.07018	1.6
117.57401	1.6
118.06560	2.2
119.04956	2.9
119.08556	9.3
120.04449	5.3
120.08104	42.3
121.06518	2.9
121.10129	4.3
122.06030	17.9
122.09673	5.8
123.08057	6.0
124.07582	12.3
127.03903	5.5
131.04985	1.6
131.08598	2.6
132.08061	2.9
133.10120	4.7
134.06003	5.5
134.09612	1.9
136.07581	40.6
137.05981	4.1
137.09576	3.0
137.13205	1.5
138.09137	72.2
139.09464	2.2
143.07329	1.9
143.08517	2.6
144.04448	3.2
145.02850	3.3
145.10150	2.5
146.05989	5.2
146.09648	1.9
147.04497	2.2
147.11736	3.0
148.07584	24.5
150.09137	13.3
151.07516	2.7
152.07118	11.6
156.09323	2.3
158.09682	3.0
160.03932	9.0
160.07602	7.0
161.13275	4.1
162.05507	4.6
162.09160	2.3
164.07048	7.6
165.44321	1.8
166.08649	85.2
172.03925	19.5
172.07593	1.9
173.13263	2.3
174.05530	2.8
174.09084	3.5
174.10402	4.6
176.07051	2.1
177.05452	7.6
177.06821	1.9
178.05037	2.9
184.07384	4.2
186.05463	1.7
186.09233	3.0
188.07155	2.8
189.12737	12.7
190.05008	7.8
191.14378	1.9
192.06544	3.5
194.08109	2.1
197.10751	2.8
198.09212	2.9
198.11465	1.6
199.08708	4.0
200.07111	2.6
202.08609	3.1
204.06581	24.0
207.13857	3.6
208.09756	3.2
209.10788	2.9
210.11522	2.4
211.08667	6.3
211.12302	8.9
212.13040	2.1
213.10248	14.8
213.13806	2.3
221.10739	2.4
223.08635	9.8
223.12187	8.6
224.13004	2.8
225.10220	47.0
225.13705	3.3
226.10933	13.8
227.11803	29.9
228.12454	2.1
229.13257	2.4
232.09628	2.9
234.11327	2.2
235.08720	5.2
236.09323	3.9
237.10214	31.5
237.13878	4.3
238.10919	17.4
239.08095	7.4
239.11794	59.9
240.12531	14.7
241.09680	4.3
241.13361	6.4
243.11319	2.7
244.09937	2.1
246.11349	3.3
249.10257	15.0
249.13824	1.8
250.10963	11.9
251.08167	12.5
251.11801	55.9
252.08864	2.5
252.10101	1.6
252.12555	11.4
253.09711	37.5
253.13359	30.4
254.10431	7.1
254.14049	2.1
255.11363	7.9
255.14781	1.8
256.12137	1.9
257.09494	1.8
257.12918	1.8
261.10202	2.5
262.10889	2.1
263.08072	1.6
263.09158	2.4
263.11841	25.6
264.08942	7.0
264.12314	8.2
265.09735	62.8
265.13333	36.7
266.10492	21.7
266.14072	8.6
267.11301	41.3
267.14456	3.7
268.11963	7.6
269.09348	2.7
269.12808	9.1
271.10831	10.7
273.12405	4.7
275.11755	5.0
276.12640	2.4
277.09747	9.5
277.13336	5.6
278.10541	13.5
279.11282	52.1
280.09381	2.4
280.12067	10.4
281.09695	3.5
281.12851	40.8
282.13589	3.9
283.10770	23.6
283.14334	8.3
284.11435	6.2
285.12338	99.6
286.13141	11.9
287.13870	4.4
289.13184	2.7
291.11288	24.1
291.14450	2.9
292.12045	9.0
293.09479	2.8
293.12772	29.5
294.10007	2.1
294.13452	4.2
295.10800	9.7
295.14365	8.0
296.11514	2.8
297.12317	32.0
298.13171	14.8
299.10663	3.3
299.13898	41.3
303.14459	1.8
305.12778	3.9
307.10901	17.2
307.14273	2.9
308.11777	2.5
309.12314	25.4
310.12985	14.6
311.10568	3.4
311.13892	29.7
312.14667	3.8
313.12152	3.1
313.15463	10.7
316.14490	3.0
317.12933	3.0
319.10776	11.3
320.11386	3.1
321.12393	16.5
322.12915	3.3
323.10303	3.9
323.13828	5.4
325.11804	16.8
325.15390	3.4
326.12463	5.1
327.13412	29.5
328.14328	3.7
329.15088	2.2
330.16150	3.1
335.13879	2.0
336.11121	1.7
337.11789	11.6
338.12585	4.6
339.13425	16.3
340.14465	1.9
341.14935	24.1
342.15820	3.1
343.13464	3.6
344.13727	4.8
344.17636	3.7
351.13376	4.5
353.15091	10.4
354.15707	2.1
355.12811	2.9
355.16745	3.2
356.13980	4.8
356.17853	2.2
357.14496	9.9
358.15280	6.6
358.19254	2.4
359.16058	11.5
362.18573	2.5
365.15097	4.1
367.12921	2.3
369.14444	15.5
370.15268	4.7
371.16187	10.2
372.16855	5.5
381.14438	4.7
382.15207	3.1
383.15952	5.5
386.18640	4.7
387.15860	2.4
390.18054	5.8
391.18878	1.9
392.19678	1.9
393.14252	4.7
395.16010	5.2
396.17038	3.3
397.17789	2.5
398.14780	3.9
399.15671	5.0
400.16464	5.8
401.17044	5.0
402.17996	3.8
404.19687	5.8
405.14456	2.3
407.16037	7.1
411.15491	14.2
412.16074	2.6
413.16922	6.8
413.21799	2.0
414.18097	5.5
415.18652	2.6
418.17563	6.9
422.20956	2.0
423.15384	7.7
425.17261	14.3
426.17859	2.3
427.19098	2.6
428.15228	2.8
429.16583	12.4
430.17319	8.4
431.17908	3.4
432.19113	6.7
433.19696	3.6
435.15628	11.3
436.15021	2.1
437.17001	4.9
439.14844	6.1
441.16650	11.3
442.17618	4.6
443.18344	13.1
444.19104	5.1
446.20905	6.1
447.15881	2.5
450.20105	5.1
451.14890	5.5
451.20706	3.7
453.16565	33.8
454.17023	2.5
455.18127	9.8
457.16220	2.4
459.17538	3.3
460.18277	3.0
462.20200	5.0
463.14963	3.4
464.21619	6.1
465.16415	5.1
469.16043	16.6
470.16760	4.5
471.17618	26.0
472.18277	4.4
473.19360	3.6
474.19980	10.1
480.20776	2.1
481.16156	9.4
482.16614	2.8
483.17636	13.0
484.18375	16.0
485.19290	13.4
487.16785	3.1
489.18027	2.1
492.21204	7.0
499.17184	5.3
501.18576	6.4
502.19467	2.3
503.20178	8.6
504.21231	2.1
506.22653	7.6
513.18945	2.6
515.19818	6.0
520.20813	3.0
522.22424	6.1
523.23425	4.1
524.23169	3.8
528.21179	3.0
533.21259	2.3
534.22302	6.1
542.21643	2.2
546.21716	2.5
556.20581	5.6
558.22070	4.9
562.21277	5.1
565.23901	3.6
566.24316	4.4
572.23553	3.6
574.21686	8.3
576.22943	2.7
586.21368	6.4
588.23743	10.5
590.24994	3.8
591.25427	5.3
592.22186	9.4
594.24420	17.1
595.25317	4.4
598.21527	2.7
599.22101	3.7
600.23328	27.9
604.22919	9.7
606.15033	3.4
606.24469	54.6
607.24811	3.6
608.25397	4.7
613.26697	4.4
616.22528	5.9
617.23871	11.3
618.24377	28.8
622.23645	3.9
624.25562	26.8
625.25800	2.2
627.27820	7.5
630.24304	5.4
631.25146	29.6
632.25983	21.9
634.24005	24.4
635.24689	23.3
636.25531	62.6
637.26147	3.1
642.26495	2.3
645.28564	3.9
648.24957	4.5
649.26288	27.1
650.27271	15.6
652.25037	9.1
653.25702	4.9
654.26575	9.4
655.27405	4.2
664.24646	5.0
666.26648	19.6
667.27338	100.0
668.28131	57.8
669.28345	4.0
675.27979	5.0
683.26483	2.8
684.28137	7.6
685.28418	15.0
686.29352	3.8
687.29688	6.8
693.29053	4.7
695.30353	6.4
703.27362	3.9
707.30414	6.1
708.32263	2.7
713.31091	3.6
721.17328	2.9
721.28680	31.8
725.31531	16.2
729.30792	2.9
735.29810	4.3
737.28387	2.7
739.29742	29.8
743.32361	7.1
751.29510	3.8
753.31250	49.4
755.28937	3.4
757.17456	3.5
757.30853	71.9
758.30402	5.5
761.33868	4.1
769.30457	2.0
771.32269	22.4
772.32477	1.9
773.28955	2.1
775.31836	11.0
787.31158	3.6
789.33313	68.7
790.33087	4.8
798.35553	5.3
805.32202	4.9
806.31250	2.5
807.34137	5.1
830.37500	4.9
840.36115	6.6
841.37885	3.9
842.37946	7.5
858.36865	4.7
859.38306	2.9
873.40692	14.1
874.40466	6.5
890.39606	2.7
891.40607	7.5
963.42975	4.4
981.43420	6.3
995.45465	7.1
1013.44122	3.5
END